#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 1.77 0.00 3.17 2.88 -1.26 -4.82 113.62 115.36 2k3m n SER 2 Ca 0.00 -2.12 0.00 0.00 -1.33 0.00 0.00 58.87 55.42 2k3m n SER 2 Cb 0.00 -0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 2k3m n SER 2 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2k3m n ASP 3 N 0.21 0.00 -3.64 -3.46 8.00 -1.26 -5.20 116.55 111.21 2k3m n ASP 3 Ca 0.08 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.43 2k3m n ASP 3 Cb 0.34 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.37 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 -0.41 -0.05 1.24 5.36 -1.26 -5.18 117.98 117.67 2k3m s PHE 4 Ca 0.00 0.66 -0.18 0.00 -0.96 0.00 0.00 56.93 56.44 2k3m s PHE 4 Cb 0.00 0.26 0.04 0.00 -0.34 0.00 0.00 43.02 42.97 2k3m s PHE 4 CO 0.00 -0.51 0.42 -0.51 -1.46 0.00 0.00 175.22 173.16 2k3m s ASP 5 N -1.34 -0.35 0.00 6.13 1.01 -1.26 -5.07 116.67 115.79 2k3m s ASP 5 Ca -0.12 0.39 0.00 0.00 0.71 0.00 0.00 52.55 53.53 2k3m s ASP 5 Cb -0.02 0.48 0.00 0.00 1.01 0.00 0.00 42.92 44.39 2k3m s ASP 5 CO 0.06 -0.42 0.00 0.41 0.21 0.00 0.00 175.17 175.43 2k3m n THR 6 N 1.51 0.00 0.02 -1.27 -1.04 -1.26 -4.37 114.28 107.87 2k3m n THR 6 Ca -0.19 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 61.81 2k3m n THR 6 Cb 0.56 -0.11 -0.01 0.00 -1.82 0.00 0.00 70.33 68.95 2k3m n THR 6 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 2k3m h GLU 7 N 0.00 -0.07 -0.90 -2.82 4.11 -2.02 -0.76 114.58 112.12 2k3m h GLU 7 Ca 0.00 0.00 0.23 0.00 0.07 0.00 0.00 59.36 59.67 2k3m h GLU 7 Cb 0.00 0.02 -0.13 0.00 0.50 0.00 0.00 28.75 29.13 2k3m h GLU 7 CO 0.00 -0.05 0.36 -0.09 0.07 0.00 0.00 179.01 179.31 2k3m h ARG 8 N -0.26 0.33 0.17 1.06 1.12 -1.97 1.58 114.38 116.41 2k3m h ARG 8 Ca -0.01 -0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 58.83 2k3m h ARG 8 Cb 0.05 -0.07 0.00 0.00 -0.01 0.00 0.00 29.97 29.94 2k3m h ARG 8 CO 0.01 0.22 -0.08 0.28 -3.11 0.00 0.00 179.97 177.29 2k3m h VAL 9 N 0.34 0.95 -0.75 0.20 2.07 -1.91 0.77 116.25 117.92 2k3m h VAL 9 Ca 0.57 -0.87 0.03 0.00 0.82 0.00 0.00 66.70 67.25 2k3m h VAL 9 Cb 1.12 1.46 -0.05 0.00 -1.52 0.00 0.00 31.29 32.30 2k3m h VAL 9 CO -0.57 0.19 0.47 -1.28 0.02 0.00 0.00 177.57 176.41 2k3m h SER 10 N -0.67 0.78 0.30 0.57 0.87 0.65 0.85 113.55 116.90 2k3m h SER 10 Ca -0.02 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 2k3m h SER 10 Cb 0.49 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 2k3m h SER 10 CO 0.04 0.54 -0.14 -0.09 -0.53 0.00 0.00 176.83 176.65 2k3m h ARG 11 N 0.93 -0.38 -0.95 2.24 9.65 0.21 -2.46 114.38 123.62 2k3m h ARG 11 Ca 0.30 0.03 0.33 0.00 -1.10 0.00 0.00 59.98 59.54 2k3m h ARG 11 Cb 0.01 0.09 -0.17 0.00 -1.39 0.00 0.00 29.97 28.51 2k3m h ARG 11 CO -0.11 -0.25 0.28 0.00 2.80 0.00 0.00 179.97 182.69 2k3m n ALA 12 N -2.75 0.74 0.16 2.80 0.00 0.27 0.44 120.51 122.18 2k3m n ALA 12 Ca -0.05 0.99 -0.14 0.00 0.00 0.00 0.00 53.44 54.24 2k3m n ALA 12 Cb 0.16 -0.86 -0.08 0.00 0.00 0.00 0.00 19.45 18.67 2k3m n ALA 12 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2k3m h VAL 13 N 0.00 0.75 0.36 0.00 2.07 -0.84 -0.12 116.25 118.48 2k3m h VAL 13 Ca 0.70 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 68.19 2k3m h VAL 13 Cb 1.69 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 2k3m h VAL 13 CO -0.80 0.00 -0.17 0.00 0.02 0.00 0.00 177.57 176.61 2k3m h ALA 14 N 0.40 -0.83 0.66 1.67 0.00 0.98 -1.63 119.26 120.51 2k3m h ALA 14 Ca -0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2k3m h ALA 14 Cb 0.27 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2k3m h ALA 14 CO 0.06 -0.79 -0.46 0.00 0.00 0.00 0.00 179.25 178.05 2k3m h ALA 15 N -1.62 -1.14 0.46 0.00 0.00 0.15 0.68 119.26 117.79 2k3m h ALA 15 Ca -0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2k3m h ALA 15 Cb 0.37 0.60 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2k3m h ALA 15 CO 0.08 -1.16 -0.22 0.00 0.00 0.00 0.00 179.25 177.95 2k3m h ALA 16 N -0.91 -0.62 -0.02 0.00 0.00 -1.21 2.55 119.26 119.06 2k3m h ALA 16 Ca -0.08 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.69 2k3m h ALA 16 Cb 0.89 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2k3m h ALA 16 CO 0.05 -0.81 -0.09 1.25 0.00 0.00 0.00 179.25 179.66 2k3m h LEU 17 N -0.70 -0.25 0.35 0.00 5.85 -0.22 -1.49 115.31 118.85 2k3m h LEU 17 Ca -0.06 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 2k3m h LEU 17 Cb 0.51 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.66 2k3m h LEU 17 CO 0.10 -0.12 -0.17 -0.37 -0.34 0.00 0.00 178.44 177.54 2k3m h VAL 18 N -0.14 0.41 -2.52 1.05 -1.51 0.44 -3.41 116.25 110.57 2k3m h VAL 18 Ca 0.04 -0.72 -0.28 0.00 -1.23 0.00 0.00 66.70 64.51 2k3m h VAL 18 Cb 0.19 0.65 0.16 0.00 -2.13 0.00 0.00 31.29 30.17 2k3m h VAL 18 CO -0.10 0.09 -0.10 0.61 -1.23 0.00 0.00 177.57 176.85 2k3m n GLY 19 N 0.17 -3.72 0.15 5.19 0.00 0.86 -4.94 105.19 102.89 2k3m n GLY 19 Ca -0.08 -1.31 0.05 0.00 0.00 0.00 0.00 46.02 44.68 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 0.92 1.61 0.13 -1.78 -3.33 132.00 129.54 2k3m h PRO 20 Ca -0.30 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.79 2k3m h PRO 20 Cb 0.99 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.13 2k3m h PRO 20 CO 0.18 0.31 -0.44 0.78 -0.23 0.00 0.00 178.00 178.60 2k3m h GLY 21 N 3.69 -1.28 0.62 1.56 0.00 -1.84 2.85 103.07 108.66 2k3m h GLY 21 Ca -0.03 0.48 0.02 0.00 0.00 0.00 0.00 47.33 47.80 2k3m h GLY 21 CO 0.04 -0.47 -0.18 -1.33 0.00 0.00 0.00 176.54 174.60 2k3m h GLY 22 N -1.26 -0.28 1.56 4.60 0.00 -1.47 0.23 103.07 106.45 2k3m h GLY 22 Ca -0.13 0.21 0.02 0.00 0.00 0.00 0.00 47.33 47.44 2k3m h GLY 22 CO 0.21 -0.17 0.25 -2.08 0.00 0.00 0.00 176.54 174.75 2k3m h VAL 23 N -0.32 1.05 0.42 4.60 2.07 -1.36 -1.95 116.25 120.76 2k3m h VAL 23 Ca 0.04 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2k3m h VAL 23 Cb 0.37 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 2k3m h VAL 23 CO -0.14 0.08 -0.40 0.00 0.02 0.00 0.00 177.57 177.13 2k3m h ALA 24 N 1.78 -1.08 -0.52 1.67 0.00 0.85 -0.25 119.26 121.70 2k3m h ALA 24 Ca 0.15 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2k3m h ALA 24 Cb 0.07 0.62 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2k3m h ALA 24 CO -0.03 -1.10 0.18 -0.07 0.00 0.00 0.00 179.25 178.23 2k3m h LEU 25 N -0.81 0.74 0.96 0.00 3.38 -1.21 -1.64 115.31 116.72 2k3m h LEU 25 Ca -0.05 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 2k3m h LEU 25 Cb 0.69 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.26 2k3m h LEU 25 CO -0.03 0.73 -0.46 0.58 0.09 0.00 0.00 178.44 179.35 2k3m h VAL 26 N 0.71 0.00 -0.45 1.22 2.07 -1.29 0.58 116.25 119.08 2k3m h VAL 26 Ca 0.17 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.69 2k3m h VAL 26 Cb 0.24 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.99 2k3m h VAL 26 CO -0.01 0.00 0.30 1.62 0.02 0.00 0.00 177.57 179.50 2k3m h VAL 27 N -1.29 1.09 0.32 2.57 3.04 -1.08 0.27 116.25 121.16 2k3m h VAL 27 Ca -0.13 -0.20 -0.02 0.00 -1.01 0.00 0.00 66.70 65.35 2k3m h VAL 27 Cb 0.98 0.47 0.00 0.00 -2.01 0.00 0.00 31.29 30.73 2k3m h VAL 27 CO 0.22 0.10 -0.15 0.50 -1.01 0.00 0.00 177.57 177.23 2k3m h LYS 28 N 0.57 -0.41 -0.19 4.17 3.64 -1.20 0.18 116.57 123.33 2k3m h LYS 28 Ca 0.17 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 2k3m h LYS 28 Cb -0.00 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2k3m h LYS 28 CO -0.04 -0.09 0.08 0.28 -2.27 0.00 0.00 179.45 177.41 2k3m h VAL 29 N -0.77 1.15 0.56 2.00 2.07 -0.52 0.50 116.25 121.25 2k3m h VAL 29 Ca -0.04 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 2k3m h VAL 29 Cb 0.51 1.09 0.01 0.00 -1.52 0.00 0.00 31.29 31.37 2k3m h VAL 29 CO 0.07 0.14 -0.27 0.00 0.02 0.00 0.00 177.57 177.53 2k3m h ALA 31 N -1.32 -0.52 -1.90 0.00 0.00 -0.68 -3.49 119.26 111.35 2k3m h ALA 31 Ca -0.08 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2k3m h ALA 31 Cb 0.58 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2k3m h ALA 31 CO 0.13 -0.78 0.00 0.41 0.00 0.00 0.00 179.25 179.01 2k3m n GLY 32 N -1.26 -0.02 1.06 0.00 0.00 0.18 -4.92 105.19 100.23 2k3m n GLY 32 Ca -0.11 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2k3m n GLY 32 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2k3m n LEU 33 N -0.50 -1.42 -0.08 0.99 0.00 -1.25 -4.91 117.00 109.84 2k3m n LEU 33 Ca 0.00 0.00 0.23 0.00 0.00 0.00 0.00 56.01 56.24 2k3m n LEU 33 Cb 0.18 -0.71 0.69 0.00 0.00 0.00 0.00 43.42 43.58 2k3m n LEU 33 CO 0.00 0.00 1.22 -0.65 0.00 0.00 0.00 177.39 177.96 2k3m h PRO 34 N 0.00 0.04 0.68 1.96 0.11 -1.89 -2.94 132.00 129.96 2k3m h PRO 34 Ca 0.00 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 2k3m h PRO 34 Cb 0.00 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 2k3m h PRO 34 CO 0.00 0.02 -0.47 0.78 -0.21 0.00 0.00 178.00 178.13 2k3m h GLY 35 N 0.04 -1.28 -2.13 -0.55 0.00 -1.94 -3.42 103.07 93.79 2k3m h GLY 35 Ca 0.33 0.54 -0.49 0.00 0.00 0.00 0.00 47.33 47.71 2k3m h GLY 35 CO -0.02 -0.42 0.05 0.54 0.00 0.00 0.00 176.54 176.70 2k3m s VAL 36 N -5.70 4.83 0.00 4.60 0.11 -1.11 -5.00 120.40 118.12 2k3m s VAL 36 Ca -0.17 0.04 0.00 0.00 -2.93 0.00 0.00 61.98 58.91 2k3m s VAL 36 Cb 0.03 -3.82 0.00 0.00 -1.53 0.00 0.00 36.38 31.06 2k3m s VAL 36 CO 0.56 -0.75 0.00 0.00 -3.33 0.00 0.00 175.10 171.58 2k3m n ILE 37 N -2.19 0.00 -3.80 7.04 0.13 -1.26 -4.76 119.36 114.52 2k3m n ILE 37 Ca -0.00 0.00 -0.15 0.00 -1.10 0.00 0.00 62.75 61.50 2k3m n ILE 37 Cb 0.56 0.00 -0.16 0.00 -0.84 0.00 0.00 39.64 39.20 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 0.05 0.06 9.51 3.76 -1.26 -5.11 115.29 122.30 2k3m s HIS 38 Ca 0.00 0.10 -0.01 0.00 -0.15 0.00 0.00 55.06 55.00 2k3m s HIS 38 Cb 0.00 -0.21 -0.04 0.00 1.11 0.00 0.00 32.58 33.44 2k3m s HIS 38 CO 0.00 -0.08 0.23 0.95 -0.85 0.00 0.00 174.74 174.99 2k3m s THR 39 N 0.88 5.36 0.11 1.30 -4.23 -1.26 -5.04 115.64 112.77 2k3m s THR 39 Ca -0.07 -0.29 -0.09 0.00 -1.18 0.00 0.00 61.69 60.05 2k3m s THR 39 Cb -0.11 -3.62 -0.19 0.00 1.34 0.00 0.00 72.50 69.93 2k3m s THR 39 CO -0.02 0.15 1.27 1.55 -0.54 0.00 0.00 174.62 177.03 2k3m h PRO 40 N 3.16 0.59 -4.96 3.99 0.13 -2.07 -3.45 132.00 129.39 2k3m h PRO 40 Ca -0.46 -0.59 -0.52 0.00 -0.87 0.00 0.00 66.00 63.57 2k3m h PRO 40 Cb 1.16 0.16 -0.32 0.00 0.13 0.00 0.00 31.00 32.14 2k3m h PRO 40 CO 0.74 1.20 -0.82 0.00 -0.23 0.00 0.00 178.00 178.90 2k3m s ALA 41 N -3.40 1.30 0.03 -0.56 0.00 -1.26 -5.13 121.76 112.74 2k3m s ALA 41 Ca -0.08 -0.54 -0.29 0.00 0.00 0.00 0.00 51.96 51.05 2k3m s ALA 41 Cb 0.08 -0.47 0.10 0.00 0.00 0.00 0.00 23.12 22.83 2k3m s ALA 41 CO 0.89 0.21 1.05 1.03 0.00 0.00 0.00 175.76 178.94 2k3m s ARG 42 N 0.20 0.80 0.00 0.00 1.81 -1.26 -4.97 118.95 115.53 2k3m s ARG 42 Ca -0.06 -0.40 0.00 0.00 -1.72 0.00 0.00 55.73 53.56 2k3m s ARG 42 Cb -0.12 0.31 0.00 0.00 -0.45 0.00 0.00 34.95 34.69 2k3m s ARG 42 CO 0.02 -0.36 0.07 -2.13 -0.68 0.00 0.00 175.30 172.22 2k3m n ARG 43 N -0.36 0.09 0.00 3.54 3.00 -1.26 -4.59 116.66 117.08 2k3m n ARG 43 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.79 2k3m n ARG 43 Cb 0.61 -1.25 0.00 0.00 0.00 0.00 0.00 32.46 31.82 2k3m n ARG 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2k3m n GLY 44 N 0.70 2.21 3.76 5.14 0.00 -1.26 -4.81 105.19 110.93 2k3m n GLY 44 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.32 -0.06 0.00 1.61 -0.12 -1.26 -5.14 117.98 112.68 2k3m s PHE 45 Ca 0.00 -0.21 0.00 0.00 -0.05 0.00 0.00 56.93 56.67 2k3m s PHE 45 Cb 0.00 0.63 0.00 0.00 -0.63 0.00 0.00 43.02 43.02 2k3m s PHE 45 CO 0.00 -0.70 0.00 1.19 -0.05 0.00 0.00 175.22 175.66 2k3m n PHE 46 N -0.54 0.00 0.00 3.49 3.01 -1.26 -5.09 117.46 117.07 2k3m n PHE 46 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.40 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 -2.13 1.01 0.00 0.00 176.76 175.64 2k3m n ARG 47 N 0.00 0.00 -2.56 -1.08 0.63 -1.26 -5.04 116.66 107.35 2k3m n ARG 47 Ca 0.00 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.86 2k3m n ARG 47 Cb 0.00 0.00 0.03 0.00 0.45 0.00 0.00 32.46 32.94 2k3m n ARG 47 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2k3m s ASN 49 N -3.08 -0.42 -0.95 0.00 2.20 -1.26 -5.07 114.94 106.36 2k3m s ASN 49 Ca 0.21 0.10 -0.24 0.00 -0.94 0.00 0.00 52.86 51.99 2k3m s ASN 49 Cb -0.03 0.50 -0.16 0.00 -2.00 0.00 0.00 41.25 39.56 2k3m s ASN 49 CO 0.46 -0.75 1.93 -0.81 -2.94 0.00 0.00 177.10 174.99 2k3m n PRO 50 N 0.28 1.20 -3.98 3.55 -0.04 -1.26 -4.34 135.00 130.41 2k3m n PRO 50 Ca -0.18 -2.06 -0.39 0.00 -0.04 0.00 0.00 63.50 60.83 2k3m n PRO 50 Cb 0.61 -3.44 0.01 0.00 -0.04 0.00 0.00 33.50 30.64 2k3m n PRO 50 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2k3m n GLU 51 N 7.90 -0.73 -3.76 0.54 0.28 -1.26 -4.98 120.64 118.63 2k3m n GLU 51 Ca 0.46 0.33 -0.12 0.00 -0.16 0.00 0.00 57.16 57.66 2k3m n GLU 51 Cb 0.45 -2.36 -0.12 0.00 1.43 0.00 0.00 31.44 30.83 2k3m n GLU 51 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2k3m s ARG 52 N -6.51 0.28 1.04 3.44 0.52 -1.26 -5.03 118.95 111.43 2k3m s ARG 52 Ca 0.30 0.45 -0.14 0.00 -0.52 0.00 0.00 55.73 55.81 2k3m s ARG 52 Cb -0.17 0.05 0.11 0.00 0.52 0.00 0.00 34.95 35.46 2k3m s ARG 52 CO 0.95 -0.09 0.46 -0.89 0.02 0.00 0.00 175.30 175.75 2k3m n ILE 53 N 3.46 0.00 -4.07 1.52 -0.00 -1.26 -4.88 119.36 114.12 2k3m n ILE 53 Ca -0.18 -0.24 -0.32 0.00 -0.00 0.00 0.00 62.75 62.01 2k3m n ILE 53 Cb 0.56 -0.72 -0.16 0.00 -0.00 0.00 0.00 39.64 39.32 2k3m n ILE 53 CO 0.00 0.00 0.00 -1.10 -0.00 0.00 0.00 176.55 175.45 2k3m s GLN 54 N -3.82 2.49 0.07 0.38 -1.52 -1.26 -5.05 119.66 110.95 2k3m s GLN 54 Ca 0.60 -1.03 -0.09 0.00 -1.95 0.00 0.00 55.36 52.89 2k3m s GLN 54 Cb -0.19 -2.65 -0.00 0.00 -0.22 0.00 0.00 33.01 29.95 2k3m s GLN 54 CO 0.65 -0.39 0.19 0.96 -0.25 0.00 0.00 175.29 176.45 2k3m s ILE 55 N 1.24 0.13 0.00 1.08 -5.25 -1.26 -4.92 121.20 112.22 2k3m s ILE 55 Ca -0.02 -1.07 0.00 0.00 -0.99 0.00 0.00 60.65 58.58 2k3m s ILE 55 Cb -0.16 -1.16 0.00 0.00 2.95 0.00 0.00 42.46 44.09 2k3m s ILE 55 CO -0.09 -0.59 0.00 0.61 -1.79 0.00 0.00 174.94 173.08 2k3m n GLY 56 N 0.27 0.80 3.38 6.27 0.00 -1.26 -4.48 105.19 110.17 2k3m n GLY 56 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.80 4.23 0.05 1.61 1.11 -1.26 -4.88 116.67 115.73 2k3m s ASP 57 Ca 0.00 -0.30 -0.00 0.00 0.18 0.00 0.00 52.55 52.43 2k3m s ASP 57 Cb 0.00 -1.67 -0.04 0.00 1.07 0.00 0.00 42.92 42.28 2k3m s ASP 57 CO 0.00 0.13 -0.04 0.26 1.18 0.00 0.00 175.17 176.70 2k3m s TRP 58 N 0.58 0.56 0.43 4.23 0.51 -1.26 -4.92 118.94 119.08 2k3m s TRP 58 Ca -0.06 -0.96 0.30 0.00 -2.12 0.00 0.00 56.10 53.26 2k3m s TRP 58 Cb -0.15 -0.39 1.45 0.00 -0.81 0.00 0.00 33.47 33.57 2k3m s TRP 58 CO 0.03 -0.31 1.60 0.07 -0.51 0.00 0.00 176.95 177.83 2k3m h ARG 59 N 3.34 0.04 0.07 4.98 0.11 -1.99 1.89 114.38 122.82 2k3m h ARG 59 Ca -0.34 -0.00 -0.34 0.00 0.10 0.00 0.00 59.98 59.40 2k3m h ARG 59 Cb 1.15 -0.01 -0.03 0.00 1.11 0.00 0.00 29.97 32.19 2k3m h ARG 59 CO 0.62 0.03 -1.91 0.98 0.10 0.00 0.00 179.97 179.78 2k3m n TYR 60 N -4.77 1.07 0.63 4.08 9.36 -1.26 -4.04 117.16 122.24 2k3m n TYR 60 Ca 0.39 0.29 0.13 0.00 3.32 0.00 0.00 57.90 62.02 2k3m n TYR 60 Cb 1.48 -1.16 0.45 0.00 -0.63 0.00 0.00 39.34 39.48 2k3m n TYR 60 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2k3m n GLU 61 N -3.28 0.20 -0.15 2.98 1.02 0.17 -3.95 120.64 117.64 2k3m n GLU 61 Ca -0.26 0.23 -0.09 0.00 -0.02 0.00 0.00 57.16 57.01 2k3m n GLU 61 Cb 1.05 -1.77 -0.04 0.00 -0.02 0.00 0.00 31.44 30.67 2k3m n GLU 61 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 2k3m h VAL 62 N 0.00 0.13 0.33 2.62 3.04 0.25 2.29 116.25 124.91 2k3m h VAL 62 Ca 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.67 2k3m h VAL 62 Cb 0.61 0.13 0.00 0.00 -2.01 0.00 0.00 31.29 30.03 2k3m h VAL 62 CO 0.00 0.00 -0.16 0.00 -1.01 0.00 0.00 177.57 176.40 2k3m h ALA 63 N 0.55 -0.45 0.18 3.17 0.00 -1.83 3.04 119.26 123.92 2k3m h ALA 63 Ca 0.16 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2k3m h ALA 63 Cb 0.57 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 2k3m h ALA 63 CO -0.60 -0.63 -0.42 0.45 0.00 0.00 0.00 179.25 178.04 2k3m h HIS 64 N -0.69 -1.19 0.08 0.00 -0.00 -1.49 0.65 115.15 112.52 2k3m h HIS 64 Ca -0.05 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.35 2k3m h HIS 64 Cb 0.48 0.50 0.00 0.00 -0.00 0.00 0.00 27.41 28.39 2k3m h HIS 64 CO 0.00 -0.53 -0.04 0.22 -0.00 0.00 0.00 177.93 177.58 2k3m h ASP 65 N -0.70 -0.09 0.00 2.45 3.58 0.38 -3.03 116.42 119.01 2k3m h ASP 65 Ca 0.01 -0.50 0.00 0.00 0.42 0.00 0.00 57.03 56.96 2k3m h ASP 65 Cb 0.70 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.77 2k3m h ASP 65 CO -0.21 0.51 0.00 0.61 -2.88 0.00 0.00 179.24 177.27 2k3m n GLY 66 N 0.60 0.90 0.00 -0.78 0.00 1.01 -3.23 105.19 103.70 2k3m n GLY 66 Ca -0.08 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.99 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 0.65 0.78 -0.14 1.61 1.74 0.22 -4.14 116.66 117.37 2k3m n ARG 67 Ca 0.00 0.00 0.17 0.00 -0.77 0.00 0.00 57.85 57.25 2k3m n ARG 67 Cb 0.21 -1.22 0.26 0.00 -1.02 0.00 0.00 32.46 30.69 2k3m n ARG 67 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2k3m n LEU 68 N -0.72 0.00 0.18 0.55 4.77 -1.20 0.21 117.00 120.79 2k3m n LEU 68 Ca 0.08 0.44 -0.07 0.00 -0.03 0.00 0.00 56.01 56.43 2k3m n LEU 68 Cb 0.04 -0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 40.94 2k3m n LEU 68 CO 0.06 -0.44 0.39 0.25 -1.33 0.00 0.00 177.39 176.32 2k3m h LEU 69 N 0.00 -0.41 0.00 2.23 5.85 -1.92 -1.34 115.31 119.72 2k3m h LEU 69 Ca 0.30 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.03 2k3m h LEU 69 Cb 1.71 0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.85 2k3m h LEU 69 CO -0.00 -0.24 0.00 0.00 -0.34 0.00 0.00 178.44 177.86 2k3m n ALA 70 N -2.33 0.00 0.00 1.25 0.00 0.55 -3.77 120.51 116.21 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 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 -1.43 0.21 -0.09 0.00 0.00 0.62 -4.00 120.51 115.82 2k3m n ALA 71 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2k3m n ALA 71 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 19.45 19.29 2k3m n ALA 71 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2k3m n HIS 72 N -0.53 -0.10 -0.03 0.00 -0.00 -0.50 0.61 115.22 114.68 2k3m n HIS 72 Ca 0.00 0.27 -0.13 0.00 -0.00 0.00 0.00 57.72 57.86 2k3m n HIS 72 Cb 0.00 -0.40 -0.11 0.00 -0.00 0.00 0.00 29.99 29.48 2k3m n HIS 72 CO 0.00 0.00 0.00 1.98 -0.00 0.00 0.00 176.34 178.32 2k3m h MET 73 N 0.00 -0.03 -0.83 1.57 4.05 -1.84 -3.34 114.93 114.52 2k3m h MET 73 Ca 0.03 0.00 0.20 0.00 -0.28 0.00 0.00 59.70 59.66 2k3m h MET 73 Cb 0.09 0.01 -0.14 0.00 -0.80 0.00 0.00 31.60 30.76 2k3m h MET 73 CO -0.20 0.63 0.14 0.28 0.23 0.00 0.00 176.91 177.99 2k3m h VAL 74 N -0.75 0.34 0.00 -5.77 2.07 -0.11 0.52 116.25 112.56 2k3m h VAL 74 Ca -0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2k3m h VAL 74 Cb 0.68 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2k3m h VAL 74 CO 0.01 0.03 0.69 -1.13 0.02 0.00 0.00 177.57 177.18 2k3m h ASN 75 N 0.18 0.00 -0.78 0.57 -0.73 -0.07 0.42 115.58 115.17 2k3m h ASN 75 Ca 0.49 0.00 0.23 0.00 1.87 0.00 0.00 56.30 58.89 2k3m h ASN 75 Cb 0.93 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.49 2k3m h ASN 75 CO -0.65 0.00 0.86 1.23 -0.37 0.00 0.00 177.43 178.50 2k3m h GLY 76 N 0.00 0.00 0.00 1.57 0.00 -0.16 -1.22 103.07 103.26 2k3m h GLY 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2k3m h GLY 76 CO 0.00 0.00 -0.25 0.16 0.00 0.00 0.00 176.54 176.45 2k3m h ILE 77 N 0.00 0.00 -1.31 2.60 -0.00 -1.14 -3.36 117.51 114.30 2k3m h ILE 77 Ca 0.37 -0.80 0.38 0.00 -0.00 0.00 0.00 64.86 64.81 2k3m h ILE 77 Cb 2.09 0.00 -0.05 0.00 -0.00 0.00 0.00 36.82 38.86 2k3m h ILE 77 CO -0.00 0.00 1.18 0.52 -0.00 0.00 0.00 178.15 179.85 2k3m n VAL 78 N -4.18 0.00 0.05 0.16 0.31 -0.50 0.17 118.33 114.33 2k3m n VAL 78 Ca -0.04 1.22 -0.13 0.00 -0.01 0.00 0.00 64.34 65.39 2k3m n VAL 78 Cb 0.13 -2.11 -0.09 0.00 -0.91 0.00 0.00 33.84 30.86 2k3m n VAL 78 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 2k3m h ILE 79 N 0.00 1.07 0.65 2.52 3.07 -1.58 -2.10 117.51 121.14 2k3m h ILE 79 Ca 0.62 -0.84 -0.03 0.00 1.55 0.00 0.00 64.86 66.16 2k3m h ILE 79 Cb 2.98 1.59 0.01 0.00 -0.27 0.00 0.00 36.82 41.13 2k3m h ILE 79 CO -0.01 0.20 -0.31 0.00 -1.05 0.00 0.00 178.15 176.98 2k3m h ALA 80 N 0.26 -1.16 -0.79 0.16 0.00 0.15 1.09 119.26 118.97 2k3m h ALA 80 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2k3m h ALA 80 Cb 0.44 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2k3m h ALA 80 CO 0.03 -1.10 0.00 -0.85 0.00 0.00 0.00 179.25 177.33 2k3m n GLU 81 N -4.48 0.00 0.35 0.00 0.28 -1.11 -1.85 120.64 113.83 2k3m n GLU 81 Ca -0.11 0.64 -0.14 0.00 -0.16 0.00 0.00 57.16 57.39 2k3m n GLU 81 Cb 0.34 -1.37 -0.07 0.00 1.43 0.00 0.00 31.44 31.78 2k3m n GLU 81 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 2k3m h ASP 82 N 0.00 -0.79 0.00 -1.84 3.32 -1.48 -2.94 116.42 112.69 2k3m h ASP 82 Ca 0.00 0.03 -0.25 0.00 0.02 0.00 0.00 57.03 56.83 2k3m h ASP 82 Cb 0.00 0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.76 2k3m h ASP 82 CO 0.00 -0.55 1.82 0.00 -1.72 0.00 0.00 179.24 178.80 2k3m n ALA 83 N -2.47 3.80 1.97 3.45 0.00 0.38 -4.31 120.51 123.33 2k3m n ALA 83 Ca -0.11 -1.40 0.05 0.00 0.00 0.00 0.00 53.44 51.97 2k3m n ALA 83 Cb 0.36 -2.76 0.27 0.00 0.00 0.00 0.00 19.45 17.32 2k3m n ALA 83 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2k3m n LEU 84 N 4.05 0.00 -0.12 0.00 -0.00 -0.77 -2.29 117.00 117.87 2k3m n LEU 84 Ca 0.32 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.45 2k3m n LEU 84 Cb 0.16 0.00 0.23 0.00 -0.00 0.00 0.00 43.42 43.81 2k3m n LEU 84 CO 0.56 0.00 0.45 2.30 -0.00 0.00 0.00 177.39 180.70 2k3m n ILE 85 N -0.65 0.00 0.71 1.96 -0.00 -1.26 -3.79 119.36 116.34 2k3m n ILE 85 Ca 0.07 -0.06 0.11 0.00 -0.00 0.00 0.00 62.75 62.87 2k3m n ILE 85 Cb 0.03 0.47 -0.03 0.00 -0.00 0.00 0.00 39.64 40.10 2k3m n ILE 85 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2k3m n ALA 86 N -1.11 3.88 0.02 -1.28 0.00 -0.97 -3.11 120.51 117.95 2k3m n ALA 86 Ca 0.08 -0.49 -0.18 0.00 0.00 0.00 0.00 53.44 52.85 2k3m n ALA 86 Cb 0.35 -0.88 -0.14 0.00 0.00 0.00 0.00 19.45 18.78 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 0.23 -0.00 0.00 4.81 -1.74 -3.40 114.58 114.48 2k3m h GLU 87 Ca 0.00 -0.38 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 2k3m h GLU 87 Cb 0.65 0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.17 2k3m h GLU 87 CO 0.00 1.06 -0.30 0.00 -0.73 0.00 0.00 179.01 179.04 2k3m n ALA 88 N -2.83 2.91 -1.21 2.92 0.00 -1.26 -4.49 120.51 116.55 2k3m n ALA 88 Ca -0.25 -0.27 -0.27 0.00 0.00 0.00 0.00 53.44 52.65 2k3m n ALA 88 Cb 1.05 -0.28 0.14 0.00 0.00 0.00 0.00 19.45 20.37 2k3m n ALA 88 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2k3m n VAL 89 N -0.91 3.30 -0.14 0.00 0.31 -1.18 -4.48 118.33 115.22 2k3m n VAL 89 Ca 0.02 -2.20 -0.11 0.00 -0.01 0.00 0.00 64.34 62.04 2k3m n VAL 89 Cb 0.13 -0.71 -0.01 0.00 -0.91 0.00 0.00 33.84 32.34 2k3m n VAL 89 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2k3m h GLY 90 N 1.40 0.86 0.21 2.92 0.00 -1.79 -2.67 103.07 104.00 2k3m h GLY 90 Ca 0.61 -0.71 0.00 0.00 0.00 0.00 0.00 47.33 47.23 2k3m h GLY 90 CO 1.24 0.65 0.62 -1.05 0.00 0.00 0.00 176.54 178.00 2k3m n PRO 91 N -4.32 0.02 0.28 4.80 -0.01 -1.26 0.51 135.00 135.03 2k3m n PRO 91 Ca -0.01 0.40 0.17 0.00 -0.01 0.00 0.00 63.50 64.05 2k3m n PRO 91 Cb 0.37 -2.19 0.89 0.00 -0.01 0.00 0.00 33.50 32.56 2k3m n PRO 91 CO 0.00 0.00 0.00 1.12 -0.01 0.00 0.00 175.50 176.61 2k3m h HIS 92 N 0.00 0.00 0.56 6.00 2.07 -1.84 -0.59 115.15 121.36 2k3m h HIS 92 Ca 0.00 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.49 2k3m h HIS 92 Cb 1.25 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.23 2k3m h HIS 92 CO 0.00 0.00 -0.27 1.37 -3.07 0.00 0.00 177.93 175.96 2k3m h LEU 93 N 0.00 -0.64 0.29 6.12 8.10 -0.20 1.90 115.31 130.88 2k3m h LEU 93 Ca 0.00 -0.04 -0.01 0.00 0.11 0.00 0.00 57.88 57.94 2k3m h LEU 93 Cb 0.26 0.17 -0.01 0.00 -0.44 0.00 0.00 40.66 40.64 2k3m h LEU 93 CO 0.00 -0.28 -0.21 0.00 -4.11 0.00 0.00 178.44 173.84 2k3m h ALA 94 N -0.81 -0.48 0.67 0.17 0.00 -1.39 -1.29 119.26 116.13 2k3m h ALA 94 Ca -0.08 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 2k3m h ALA 94 Cb 0.64 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2k3m h ALA 94 CO 0.13 -0.79 -0.42 0.00 0.00 0.00 0.00 179.25 178.17 2k3m h ARG 95 N -0.50 -0.99 0.00 0.00 3.08 -1.26 0.54 114.38 115.25 2k3m h ARG 95 Ca -0.02 0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2k3m h ARG 95 Cb 0.43 0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.71 2k3m h ARG 95 CO 0.00 -0.66 0.40 0.00 -1.07 0.00 0.00 179.97 178.64 2k3m n ALA 96 N -2.65 0.31 0.00 0.04 0.00 0.64 -4.36 120.51 114.50 2k3m n ALA 96 Ca -0.13 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2k3m n ALA 96 Cb 0.44 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.55 2k3m n ALA 96 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2k3m n LEU 97 N -1.40 0.00 0.17 0.00 0.00 0.19 0.27 117.00 116.22 2k3m n LEU 97 Ca -0.00 0.00 0.16 0.00 0.00 0.00 0.00 56.01 56.16 2k3m n LEU 97 Cb 0.41 0.00 0.54 0.00 0.00 0.00 0.00 43.42 44.37 2k3m n LEU 97 CO 0.01 0.00 1.14 1.23 0.00 0.00 0.00 177.39 179.77 2k3m h GLY 98 N 0.00 0.00 2.00 -3.96 0.00 -1.85 5.71 103.07 104.97 2k3m h GLY 98 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2k3m h GLY 98 CO 0.00 0.00 -0.01 -1.61 0.00 0.00 0.00 176.54 174.92 2k3m h GLN 99 N 0.00 0.00 -0.22 4.80 5.75 0.35 -0.17 115.11 125.62 2k3m h GLN 99 Ca 0.14 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.63 2k3m h GLN 99 Cb 1.51 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 30.06 2k3m h GLN 99 CO -0.00 0.01 0.07 0.82 -2.65 0.00 0.00 178.83 177.08 2k3m h ILE 100 N 0.00 1.19 0.89 2.39 1.08 1.15 -1.05 117.51 123.17 2k3m h ILE 100 Ca -0.00 -0.62 -0.04 0.00 -0.39 0.00 0.00 64.86 63.81 2k3m h ILE 100 Cb 0.28 1.19 0.01 0.00 -3.07 0.00 0.00 36.82 35.22 2k3m h ILE 100 CO 0.00 0.20 -0.43 0.58 -0.69 0.00 0.00 178.15 177.81 2k3m h VAL 101 N 0.18 0.11 0.00 1.67 2.07 -1.03 0.74 116.25 119.99 2k3m h VAL 101 Ca 0.07 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.57 2k3m h VAL 101 Cb 0.24 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 2k3m h VAL 101 CO -0.00 0.00 0.66 0.00 0.02 0.00 0.00 177.57 178.25 2k3m n ARG 103 N -2.33 0.65 -0.67 0.00 3.00 -0.02 -3.28 116.66 114.01 2k3m n ARG 103 Ca -0.01 0.29 0.05 0.00 -0.00 0.00 0.00 57.85 58.19 2k3m n ARG 103 Cb 0.68 -1.61 0.30 0.00 0.00 0.00 0.00 32.46 31.83 2k3m n ARG 103 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2k3m n TYR 104 N -3.79 1.44 -0.43 -0.14 4.01 0.24 -4.64 117.16 113.85 2k3m n TYR 104 Ca -0.42 -0.95 0.00 0.00 -0.16 0.00 0.00 57.90 56.37 2k3m n TYR 104 Cb 0.92 -0.43 0.00 0.00 -0.31 0.00 0.00 39.34 39.52 2k3m n TYR 104 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2k3m n GLY 105 N -0.26 0.43 1.31 2.72 0.00 1.76 -4.86 105.19 106.30 2k3m n GLY 105 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 0.11 0.98 4.61 0.00 0.03 -4.50 120.51 121.74 2k3m n ALA 106 Ca 0.00 -0.33 0.10 0.00 0.00 0.00 0.00 53.44 53.20 2k3m n ALA 106 Cb 0.00 -0.11 0.30 0.00 0.00 0.00 0.00 19.45 19.64 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 1.76 0.33 -0.33 0.00 5.66 -1.26 -3.59 114.28 116.86 2k3m n THR 107 Ca 0.00 -0.45 0.07 0.00 -3.05 0.00 0.00 64.05 60.62 2k3m n THR 107 Cb 0.17 0.42 0.31 0.00 -1.55 0.00 0.00 70.33 69.67 2k3m n THR 107 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 2k3m n VAL 108 N 0.56 1.79 0.36 1.08 3.14 -1.26 -4.14 118.33 119.87 2k3m n VAL 108 Ca 0.16 -1.02 0.07 0.00 -2.96 0.00 0.00 64.34 60.59 2k3m n VAL 108 Cb 0.37 -0.11 -0.10 0.00 -1.06 0.00 0.00 33.84 32.93 2k3m n VAL 108 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 2k3m n ILE 109 N 0.72 0.00 -0.03 1.55 -5.35 -1.24 -4.55 119.36 110.46 2k3m n ILE 109 Ca 0.21 -0.25 -0.12 0.00 -0.27 0.00 0.00 62.75 62.32 2k3m n ILE 109 Cb 0.86 0.59 -0.07 0.00 -1.74 0.00 0.00 39.64 39.27 2k3m n ILE 109 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 2k3m h PRO 110 N 0.00 0.19 0.23 6.28 0.13 -1.84 -2.62 132.00 134.36 2k3m h PRO 110 Ca 0.00 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 65.05 2k3m h PRO 110 Cb 0.53 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.65 2k3m h PRO 110 CO 0.00 0.50 -0.11 -0.97 -0.23 0.00 0.00 178.00 177.19 2k3m h ASN 111 N -0.14 -0.26 -0.99 1.44 -0.73 -1.86 -1.73 115.58 111.31 2k3m h ASN 111 Ca 0.02 0.01 0.34 0.00 1.87 0.00 0.00 56.30 58.54 2k3m h ASN 111 Cb 0.43 0.07 -0.16 0.00 0.27 0.00 0.00 38.32 38.93 2k3m h ASN 111 CO 0.01 -0.12 0.52 -0.29 -0.37 0.00 0.00 177.43 177.18 2k3m h ILE 112 N -0.45 0.22 -0.45 2.57 2.10 -1.80 0.96 117.51 120.65 2k3m h ILE 112 Ca -0.03 -0.08 -0.11 0.00 1.08 0.00 0.00 64.86 65.72 2k3m h ILE 112 Cb 0.24 -0.03 -0.01 0.00 -1.09 0.00 0.00 36.82 35.93 2k3m h ILE 112 CO 0.05 0.04 -0.16 0.78 -1.08 0.00 0.00 178.15 177.79 2k3m h ASN 113 N 0.23 0.93 0.18 2.19 2.35 -1.51 1.09 115.58 121.04 2k3m h ASN 113 Ca 0.75 -0.38 -0.01 0.00 -0.55 0.00 0.00 56.30 56.11 2k3m h ASN 113 Cb 1.76 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 39.87 2k3m h ASN 113 CO -0.66 1.10 -0.10 0.00 -1.65 0.00 0.00 177.43 176.12 2k3m h ALA 114 N 0.86 -0.26 0.04 -0.83 0.00 0.18 -2.51 119.26 116.73 2k3m h ALA 114 Ca 0.11 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2k3m h ALA 114 Cb 0.72 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2k3m h ALA 114 CO 0.05 -0.65 -0.02 0.00 0.00 0.00 0.00 179.25 178.63 2k3m h ALA 115 N 0.54 -0.06 -0.33 0.00 0.00 -0.64 -3.32 119.26 115.46 2k3m h ALA 115 Ca -0.02 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.81 2k3m h ALA 115 Cb 0.22 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 2k3m h ALA 115 CO 0.03 -0.06 -0.15 0.82 0.00 0.00 0.00 179.25 179.89 2k3m h ILE 116 N -1.00 0.53 -0.57 0.00 1.08 0.11 0.67 117.51 118.34 2k3m h ILE 116 Ca -0.01 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.55 2k3m h ILE 116 Cb 0.32 0.53 -0.10 0.00 -3.07 0.00 0.00 36.82 34.50 2k3m h ILE 116 CO 0.01 0.00 -0.45 -0.33 -0.69 0.00 0.00 178.15 176.69 2k3m h GLU 117 N -0.10 -0.23 0.26 2.37 5.08 -1.54 3.27 114.58 123.70 2k3m h GLU 117 Ca 0.17 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2k3m h GLU 117 Cb 0.35 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2k3m h GLU 117 CO -0.39 -0.15 -0.21 0.28 -1.00 0.00 0.00 179.01 177.54 2k3m h VAL 118 N -0.24 0.55 0.02 3.13 2.07 -1.45 0.57 116.25 120.90 2k3m h VAL 118 Ca 0.17 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.69 2k3m h VAL 118 Cb 0.56 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2k3m h VAL 118 CO -0.68 0.00 -0.06 0.25 0.02 0.00 0.00 177.57 177.10 2k3m h LEU 119 N -0.48 -0.17 0.00 2.57 6.46 0.41 -3.38 115.31 120.72 2k3m h LEU 119 Ca -0.02 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2k3m h LEU 119 Cb 0.43 0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.42 2k3m h LEU 119 CO -0.01 -0.06 0.00 0.61 -0.62 0.00 0.00 178.44 178.35 2k3m n GLY 120 N -1.06 0.26 0.00 3.75 0.00 1.05 -5.04 105.19 104.15 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 -0.37 0.00 0.00 2.61 -1.04 0.20 -4.87 114.28 110.81 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 2.59 3.47 3.41 0.00 -1.26 -4.85 105.19 108.55 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 -1.60 0.00 -3.87 2.61 5.66 -1.26 -4.57 114.28 111.24 2k3m n THR 123 Ca 0.00 -0.15 -0.04 0.00 -3.05 0.00 0.00 64.05 60.81 2k3m n THR 123 Cb 0.00 -1.60 0.02 0.00 -1.55 0.00 0.00 70.33 67.20 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 7.10 0.00 -0.06 1.09 1.01 -1.26 -5.02 116.67 119.53 2k3m s ASP 124 Ca 0.70 -0.76 -0.10 0.00 0.71 0.00 0.00 52.55 53.10 2k3m s ASP 124 Cb -0.07 0.56 0.02 0.00 1.01 0.00 0.00 42.92 44.44 2k3m s ASP 124 CO 0.16 -1.12 0.25 -0.47 0.21 0.00 0.00 175.17 174.20 2k3m s TYR 125 N -2.20 -0.21 0.06 4.23 6.14 -1.26 -5.12 117.35 118.99 2k3m s TYR 125 Ca 0.21 0.47 -0.15 0.00 0.64 0.00 0.00 57.07 58.24 2k3m s TYR 125 Cb -0.03 0.07 0.02 0.00 0.42 0.00 0.00 41.96 42.45 2k3m s TYR 125 CO 0.06 -0.22 0.33 1.03 0.64 0.00 0.00 175.55 177.40 2k3m s ARG 126 N -0.42 0.87 0.00 4.97 0.52 -1.26 -4.98 118.95 118.64 2k3m s ARG 126 Ca -0.05 -0.53 0.06 0.00 -0.52 0.00 0.00 55.73 54.69 2k3m s ARG 126 Cb -0.04 0.38 0.04 0.00 0.52 0.00 0.00 34.95 35.86 2k3m s ARG 126 CO 0.01 -0.29 0.68 1.97 0.02 0.00 0.00 175.30 177.69