#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 3.14 0.00 7.83 7.64 -1.26 -4.83 113.62 126.14 2k3m n SER 2 Ca 0.00 -2.04 0.00 0.00 1.01 0.00 0.00 58.87 57.84 2k3m n SER 2 Cb 0.00 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 2k3m n SER 2 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2k3m n ASP 3 N 1.14 0.00 -3.69 6.43 -0.08 -1.26 -5.19 116.55 113.90 2k3m n ASP 3 Ca 0.19 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 53.33 2k3m n ASP 3 Cb 0.51 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.89 2k3m n ASP 3 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 2k3m s PHE 4 N 0.00 -0.37 -0.03 -0.67 2.19 -1.26 -5.17 117.98 112.67 2k3m s PHE 4 Ca 0.00 0.67 -0.22 0.00 0.33 0.00 0.00 56.93 57.72 2k3m s PHE 4 Cb 0.00 0.20 0.04 0.00 -1.31 0.00 0.00 43.02 41.95 2k3m s PHE 4 CO 0.00 -0.42 0.47 -0.51 1.83 0.00 0.00 175.22 176.59 2k3m s ASP 5 N -1.01 -0.40 1.10 6.13 1.01 -1.26 -5.10 116.67 117.14 2k3m s ASP 5 Ca -0.10 0.36 -0.12 0.00 0.71 0.00 0.00 52.55 53.39 2k3m s ASP 5 Cb -0.03 0.41 0.25 0.00 1.01 0.00 0.00 42.92 44.56 2k3m s ASP 5 CO 0.05 -0.53 1.06 -0.89 0.21 0.00 0.00 175.17 175.07 2k3m s THR 6 N -1.31 2.07 0.07 -1.27 2.01 -1.26 -4.44 115.64 111.51 2k3m s THR 6 Ca -0.12 0.02 -0.35 0.00 0.31 0.00 0.00 61.69 61.55 2k3m s THR 6 Cb -0.03 -2.13 -0.20 0.00 0.01 0.00 0.00 72.50 70.15 2k3m s THR 6 CO 0.07 -0.03 1.60 -0.08 -0.69 0.00 0.00 174.62 175.48 2k3m h GLU 7 N -2.39 -1.09 -0.17 4.92 4.81 -2.02 2.97 114.58 121.61 2k3m h GLU 7 Ca -0.57 0.07 0.05 0.00 -0.13 0.00 0.00 59.36 58.78 2k3m h GLU 7 Cb 1.32 0.25 -0.07 0.00 0.63 0.00 0.00 28.75 30.88 2k3m h GLU 7 CO 0.50 -0.73 -0.32 -0.09 -0.73 0.00 0.00 179.01 177.65 2k3m h ARG 8 N -1.13 -0.36 -0.10 1.92 2.43 -1.96 3.17 114.38 118.35 2k3m h ARG 8 Ca -0.11 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2k3m h ARG 8 Cb 0.87 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.50 2k3m h ARG 8 CO 0.17 -0.24 0.05 -0.24 -1.51 0.00 0.00 179.97 178.21 2k3m h VAL 9 N -0.37 1.10 0.86 0.20 3.04 -1.90 1.08 116.25 120.26 2k3m h VAL 9 Ca 0.11 -0.30 -0.04 0.00 -1.01 0.00 0.00 66.70 65.45 2k3m h VAL 9 Cb 0.54 1.12 0.01 0.00 -2.01 0.00 0.00 31.29 30.94 2k3m h VAL 9 CO -0.37 0.09 -0.41 -1.28 -1.01 0.00 0.00 177.57 174.59 2k3m h SER 10 N 0.05 -0.98 0.66 3.17 0.87 0.64 0.15 113.55 118.12 2k3m h SER 10 Ca 0.04 0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.59 2k3m h SER 10 Cb 0.10 0.25 0.01 0.00 -0.44 0.00 0.00 62.40 62.32 2k3m h SER 10 CO -0.01 -0.64 -0.32 -0.09 -0.53 0.00 0.00 176.83 175.25 2k3m h ARG 11 N -1.27 -0.85 -0.40 2.24 9.65 0.58 1.08 114.38 125.39 2k3m h ARG 11 Ca -0.12 0.06 0.08 0.00 -1.10 0.00 0.00 59.98 58.90 2k3m h ARG 11 Cb 0.89 0.19 -0.09 0.00 -1.39 0.00 0.00 29.97 29.58 2k3m h ARG 11 CO 0.19 -0.54 -0.19 0.00 2.80 0.00 0.00 179.97 182.24 2k3m h ALA 12 N -0.76 0.11 0.01 2.80 0.00 0.12 2.85 119.26 124.40 2k3m h ALA 12 Ca -0.09 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2k3m h ALA 12 Cb 0.71 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2k3m h ALA 12 CO 0.15 -0.55 -0.01 -0.39 0.00 0.00 0.00 179.25 178.45 2k3m h VAL 13 N -0.11 1.02 0.56 0.00 -1.51 -0.63 1.03 116.25 116.61 2k3m h VAL 13 Ca 0.20 -0.09 -0.02 0.00 -1.23 0.00 0.00 66.70 65.55 2k3m h VAL 13 Cb 0.41 1.08 -0.00 0.00 -2.13 0.00 0.00 31.29 30.65 2k3m h VAL 13 CO -0.47 0.02 -0.37 0.00 -1.23 0.00 0.00 177.57 175.52 2k3m h ALA 14 N 0.93 -1.16 0.23 5.19 0.00 0.42 2.58 119.26 127.45 2k3m h ALA 14 Ca -0.00 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.74 2k3m h ALA 14 Cb 0.05 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2k3m h ALA 14 CO 0.00 -1.14 -0.32 0.00 0.00 0.00 0.00 179.25 177.80 2k3m h ALA 15 N -1.33 -0.63 0.27 0.00 0.00 0.50 1.90 119.26 119.96 2k3m h ALA 15 Ca -0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2k3m h ALA 15 Cb 0.71 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2k3m h ALA 15 CO 0.06 -0.90 -0.21 0.00 0.00 0.00 0.00 179.25 178.20 2k3m h ALA 16 N -0.04 -0.47 -0.38 0.00 0.00 0.11 2.98 119.26 121.47 2k3m h ALA 16 Ca 0.00 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.90 2k3m h ALA 16 Cb 0.59 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 2k3m h ALA 16 CO -0.12 -0.78 -0.00 1.25 0.00 0.00 0.00 179.25 179.60 2k3m h LEU 17 N -0.49 -0.16 0.54 0.00 5.85 0.48 0.30 115.31 121.83 2k3m h LEU 17 Ca -0.02 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 2k3m h LEU 17 Cb 0.43 0.16 0.01 0.00 0.37 0.00 0.00 40.66 41.63 2k3m h LEU 17 CO -0.02 -0.04 -0.26 0.58 -0.34 0.00 0.00 178.44 178.36 2k3m h VAL 18 N 0.10 0.21 -0.95 1.05 2.07 0.35 -3.36 116.25 115.71 2k3m h VAL 18 Ca 0.19 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2k3m h VAL 18 Cb 0.26 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 2k3m h VAL 18 CO -0.31 0.04 0.00 0.61 0.02 0.00 0.00 177.57 177.92 2k3m n GLY 19 N -0.37 -2.10 0.11 2.17 0.00 0.99 -4.89 105.19 101.10 2k3m n GLY 19 Ca -0.10 -1.45 -0.01 0.00 0.00 0.00 0.00 46.02 44.46 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 0.77 1.61 0.13 -1.80 -3.28 132.00 129.43 2k3m h PRO 20 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 2k3m h PRO 20 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2k3m h PRO 20 CO 0.00 0.71 -0.42 0.78 -0.23 0.00 0.00 178.00 178.84 2k3m h GLY 21 N 3.21 -1.18 0.93 1.56 0.00 -1.86 2.86 103.07 108.59 2k3m h GLY 21 Ca -0.01 0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.77 2k3m h GLY 21 CO 0.09 -0.42 -0.25 -1.33 0.00 0.00 0.00 176.54 174.64 2k3m h GLY 22 N -1.10 -0.68 0.97 4.60 0.00 -0.60 -1.34 103.07 104.92 2k3m h GLY 22 Ca -0.10 0.27 0.07 0.00 0.00 0.00 0.00 47.33 47.57 2k3m h GLY 22 CO 0.14 -0.25 0.51 -2.08 0.00 0.00 0.00 176.54 174.86 2k3m h VAL 23 N -0.65 1.02 0.74 4.60 2.07 -1.42 0.79 116.25 123.41 2k3m h VAL 23 Ca -0.05 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 2k3m h VAL 23 Cb 0.52 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2k3m h VAL 23 CO 0.07 0.15 -0.47 0.00 0.02 0.00 0.00 177.57 177.34 2k3m h ALA 24 N 1.58 -1.25 -0.48 1.67 0.00 0.60 0.15 119.26 121.53 2k3m h ALA 24 Ca 0.34 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2k3m h ALA 24 Cb 0.26 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2k3m h ALA 24 CO -0.12 -1.21 0.19 1.25 0.00 0.00 0.00 179.25 179.36 2k3m h LEU 25 N -1.14 0.66 0.89 0.00 5.85 -0.85 -0.91 115.31 119.82 2k3m h LEU 25 Ca -0.10 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 2k3m h LEU 25 Cb 0.92 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 41.79 2k3m h LEU 25 CO 0.09 0.65 -0.43 0.58 -0.34 0.00 0.00 178.44 178.99 2k3m h VAL 26 N 0.64 0.00 -0.79 1.05 2.07 -0.77 0.33 116.25 118.78 2k3m h VAL 26 Ca 0.16 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.67 2k3m h VAL 26 Cb 0.19 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.92 2k3m h VAL 26 CO -0.01 0.00 0.52 1.62 0.02 0.00 0.00 177.57 179.71 2k3m h VAL 27 N -1.25 1.11 0.21 2.57 3.04 -0.73 0.45 116.25 121.65 2k3m h VAL 27 Ca -0.12 -0.32 -0.01 0.00 -1.01 0.00 0.00 66.70 65.23 2k3m h VAL 27 Cb 0.92 0.08 0.00 0.00 -2.01 0.00 0.00 31.29 30.28 2k3m h VAL 27 CO 0.20 0.17 -0.10 0.50 -1.01 0.00 0.00 177.57 177.33 2k3m h LYS 28 N 0.94 -0.27 -0.08 4.17 3.64 -1.12 0.10 116.57 123.95 2k3m h LYS 28 Ca 0.32 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.71 2k3m h LYS 28 Cb 0.08 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2k3m h LYS 28 CO -0.10 0.08 0.03 0.28 -2.27 0.00 0.00 179.45 177.47 2k3m h VAL 29 N -0.66 1.16 0.68 2.00 2.07 -0.66 0.59 116.25 121.43 2k3m h VAL 29 Ca -0.03 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 2k3m h VAL 29 Cb 0.47 1.34 0.01 0.00 -1.52 0.00 0.00 31.29 31.59 2k3m h VAL 29 CO 0.05 0.14 -0.33 0.00 0.02 0.00 0.00 177.57 177.45 2k3m h ALA 31 N -1.33 -0.46 -2.35 0.00 0.00 -0.84 -3.49 119.26 110.78 2k3m h ALA 31 Ca -0.09 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2k3m h ALA 31 Cb 0.70 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2k3m h ALA 31 CO 0.15 -0.64 0.00 0.41 0.00 0.00 0.00 179.25 179.18 2k3m n GLY 32 N -0.62 -0.25 1.08 0.00 0.00 0.21 -4.92 105.19 100.70 2k3m n GLY 32 Ca -0.10 -0.27 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 -0.56 -1.45 -0.02 0.99 4.77 -1.26 -4.90 117.00 114.58 2k3m n LEU 33 Ca 0.00 0.00 0.19 0.00 -0.03 0.00 0.00 56.01 56.17 2k3m n LEU 33 Cb 0.17 -0.72 0.65 0.00 -2.33 0.00 0.00 43.42 41.18 2k3m n LEU 33 CO 0.00 0.00 1.18 -0.65 -1.33 0.00 0.00 177.39 176.59 2k3m h PRO 34 N 0.00 0.09 0.71 3.23 0.11 -1.90 -2.93 132.00 131.31 2k3m h PRO 34 Ca 0.00 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.07 2k3m h PRO 34 Cb 0.00 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.09 2k3m h PRO 34 CO 0.00 0.06 -0.40 0.78 -0.21 0.00 0.00 178.00 178.23 2k3m h GLY 35 N 0.09 -1.11 -2.60 -0.55 0.00 -1.93 -3.43 103.07 93.55 2k3m h GLY 35 Ca 0.26 0.44 -0.44 0.00 0.00 0.00 0.00 47.33 47.59 2k3m h GLY 35 CO -0.02 -0.40 -0.26 0.54 0.00 0.00 0.00 176.54 176.40 2k3m s VAL 36 N -6.01 3.98 0.00 4.60 0.11 -1.10 -5.02 120.40 116.97 2k3m s VAL 36 Ca -0.18 -0.84 0.00 0.00 -2.93 0.00 0.00 61.98 58.03 2k3m s VAL 36 Cb 0.03 -3.41 0.00 0.00 -1.53 0.00 0.00 36.38 31.48 2k3m s VAL 36 CO 0.61 -0.20 0.00 0.00 -3.33 0.00 0.00 175.10 172.19 2k3m n ILE 37 N -1.79 0.00 -3.78 7.04 3.06 -1.26 -4.72 119.36 117.90 2k3m n ILE 37 Ca 0.01 0.00 -0.14 0.00 -2.50 0.00 0.00 62.75 60.11 2k3m n ILE 37 Cb 0.58 0.00 -0.15 0.00 0.54 0.00 0.00 39.64 40.61 2k3m n ILE 37 CO 0.00 0.00 0.00 -1.00 -2.50 0.00 0.00 176.55 173.05 2k3m s HIS 38 N 0.00 -0.01 0.18 9.51 3.76 -1.26 -5.08 115.29 122.39 2k3m s HIS 38 Ca 0.00 0.18 -0.13 0.00 -0.15 0.00 0.00 55.06 54.95 2k3m s HIS 38 Cb 0.00 -0.18 -0.07 0.00 1.11 0.00 0.00 32.58 33.44 2k3m s HIS 38 CO 0.00 -0.09 0.56 0.95 -0.85 0.00 0.00 174.74 175.31 2k3m s THR 39 N 0.94 4.86 0.04 1.30 -4.23 -1.26 -5.01 115.64 112.28 2k3m s THR 39 Ca -0.08 0.76 -0.18 0.00 -1.18 0.00 0.00 61.69 61.01 2k3m s THR 39 Cb -0.11 -3.70 -0.17 0.00 1.34 0.00 0.00 72.50 69.85 2k3m s THR 39 CO -0.03 0.14 1.24 1.55 -0.54 0.00 0.00 174.62 176.98 2k3m h PRO 40 N 3.23 0.49 -4.78 3.99 0.13 -2.06 -3.44 132.00 129.56 2k3m h PRO 40 Ca -0.48 -0.38 -0.56 0.00 -0.87 0.00 0.00 66.00 63.71 2k3m h PRO 40 Cb 1.19 0.07 -0.33 0.00 0.13 0.00 0.00 31.00 32.05 2k3m h PRO 40 CO 0.67 1.01 -0.83 0.00 -0.23 0.00 0.00 178.00 178.61 2k3m s ALA 41 N -3.76 1.52 -0.09 -0.56 0.00 -1.26 -5.12 121.76 112.50 2k3m s ALA 41 Ca -0.13 -0.58 -0.30 0.00 0.00 0.00 0.00 51.96 50.95 2k3m s ALA 41 Cb 0.05 -0.64 0.12 0.00 0.00 0.00 0.00 23.12 22.66 2k3m s ALA 41 CO 0.81 0.17 0.99 -0.98 0.00 0.00 0.00 175.76 176.75 2k3m s ARG 42 N 0.56 0.64 0.00 0.00 1.04 -1.26 -4.99 118.95 114.94 2k3m s ARG 42 Ca -0.16 -0.14 0.00 0.00 -1.04 0.00 0.00 55.73 54.39 2k3m s ARG 42 Cb -0.16 0.30 0.00 0.00 -2.04 0.00 0.00 34.95 33.04 2k3m s ARG 42 CO 0.05 -0.26 0.33 -2.13 -0.04 0.00 0.00 175.30 173.25 2k3m n ARG 43 N 0.05 0.24 0.00 3.89 0.63 -1.26 -4.46 116.66 115.75 2k3m n ARG 43 Ca -0.07 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.86 2k3m n ARG 43 Cb 0.60 -1.38 0.00 0.00 0.45 0.00 0.00 32.46 32.13 2k3m n ARG 43 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k3m n GLY 44 N 1.26 3.07 3.59 5.14 0.00 -1.26 -4.93 105.19 112.06 2k3m n GLY 44 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 2k3m n GLY 44 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2k3m n PHE 45 N -1.14 -0.28 0.00 1.61 1.16 -1.26 -5.07 117.46 112.47 2k3m n PHE 45 Ca 0.00 -0.60 0.00 0.00 -1.87 0.00 0.00 57.45 54.98 2k3m n PHE 45 Cb 0.00 0.27 0.00 0.00 -1.61 0.00 0.00 39.48 38.14 2k3m n PHE 45 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2k3m n PHE 46 N -0.84 0.00 -3.99 2.97 -0.00 -1.26 -5.03 117.46 109.31 2k3m n PHE 46 Ca 0.04 0.00 0.02 0.00 -0.00 0.00 0.00 57.45 57.52 2k3m n PHE 46 Cb 0.52 0.00 0.01 0.00 -0.00 0.00 0.00 39.48 40.01 2k3m n PHE 46 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 2k3m n ARG 47 N 0.00 0.19 -3.06 -4.13 1.74 -1.26 -5.05 116.66 105.09 2k3m n ARG 47 Ca 0.00 -0.74 -0.09 0.00 -0.77 0.00 0.00 57.85 56.24 2k3m n ARG 47 Cb 0.00 1.21 0.04 0.00 -1.02 0.00 0.00 32.46 32.69 2k3m n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2k3m s ASN 49 N -3.21 0.52 -1.04 0.00 4.22 -1.26 -5.05 114.94 109.12 2k3m s ASN 49 Ca 0.28 -0.23 -0.09 0.00 -2.14 0.00 0.00 52.86 50.68 2k3m s ASN 49 Cb -0.04 -0.01 -0.07 0.00 1.28 0.00 0.00 41.25 42.41 2k3m s ASN 49 CO 0.69 -0.05 2.23 -0.81 -2.04 0.00 0.00 177.10 177.12 2k3m n PRO 50 N 2.46 2.31 -0.78 3.55 -0.04 -1.26 -4.40 135.00 136.84 2k3m n PRO 50 Ca -0.16 -1.69 0.00 0.00 -0.04 0.00 0.00 63.50 61.61 2k3m n PRO 50 Cb 0.57 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.42 2k3m n PRO 50 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k3m n GLU 51 N 4.57 -1.23 -2.91 0.54 1.02 -1.26 -4.93 120.64 116.45 2k3m n GLU 51 Ca 0.51 0.30 -0.40 0.00 -0.02 0.00 0.00 57.16 57.55 2k3m n GLU 51 Cb 0.20 -4.71 -0.06 0.00 -0.02 0.00 0.00 31.44 26.85 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 -1.56 4.64 0.29 3.49 0.52 -1.26 -5.00 118.95 120.07 2k3m s ARG 52 Ca 0.00 1.25 -0.29 0.00 -0.52 0.00 0.00 55.73 56.17 2k3m s ARG 52 Cb 0.00 -3.28 -0.10 0.00 0.52 0.00 0.00 34.95 32.09 2k3m s ARG 52 CO 0.00 0.51 1.33 -1.50 0.02 0.00 0.00 175.30 175.65 2k3m s ILE 53 N -0.98 2.83 -1.02 1.52 2.07 -1.26 -4.86 121.20 119.51 2k3m s ILE 53 Ca 0.38 0.77 -0.25 0.00 -1.41 0.00 0.00 60.65 60.14 2k3m s ILE 53 Cb -0.24 -3.49 -0.19 0.00 0.13 0.00 0.00 42.46 38.67 2k3m s ILE 53 CO 0.28 0.16 2.00 0.00 -1.91 0.00 0.00 174.94 175.46 2k3m n GLN 54 N 1.48 0.71 -3.80 3.50 3.00 -1.26 -4.80 117.38 116.20 2k3m n GLN 54 Ca 0.02 -1.94 -0.11 0.00 -0.01 0.00 0.00 57.00 54.97 2k3m n GLN 54 Cb 0.42 -3.70 -0.08 0.00 0.00 0.00 0.00 30.24 26.88 2k3m n GLN 54 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.06 175.56 2k3m s ILE 55 N 13.61 0.10 0.00 5.09 2.07 -1.26 -4.90 121.20 135.90 2k3m s ILE 55 Ca 0.75 -0.80 0.00 0.00 -1.41 0.00 0.00 60.65 59.18 2k3m s ILE 55 Cb -0.01 -0.93 0.00 0.00 0.13 0.00 0.00 42.46 41.65 2k3m s ILE 55 CO 0.18 -0.44 0.00 0.61 -1.91 0.00 0.00 174.94 173.38 2k3m n GLY 56 N 0.62 0.73 3.51 1.50 0.00 -1.26 -5.05 105.19 105.24 2k3m n GLY 56 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.71 6.20 0.75 1.61 1.01 -1.26 -5.00 116.67 118.26 2k3m s ASP 57 Ca 0.00 -0.63 -0.06 0.00 0.71 0.00 0.00 52.55 52.56 2k3m s ASP 57 Cb 0.00 -2.49 0.11 0.00 1.01 0.00 0.00 42.92 41.55 2k3m s ASP 57 CO 0.00 -1.59 1.06 0.26 0.21 0.00 0.00 175.17 175.10 2k3m s TRP 58 N 4.83 2.29 -0.11 4.23 0.51 -1.26 -5.05 118.94 124.37 2k3m s TRP 58 Ca 0.30 0.20 -0.12 0.00 -2.12 0.00 0.00 56.10 54.36 2k3m s TRP 58 Cb -0.12 -3.30 -0.10 0.00 -0.81 0.00 0.00 33.47 29.13 2k3m s TRP 58 CO 0.14 -1.71 0.33 0.00 -0.51 0.00 0.00 176.95 175.20 2k3m h ARG 59 N -0.75 -0.02 0.00 4.98 3.08 -2.03 -3.39 114.38 116.24 2k3m h ARG 59 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.63 2k3m h ARG 59 Cb 1.29 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.34 2k3m h ARG 59 CO 0.50 0.35 -0.65 2.48 -1.07 0.00 0.00 179.97 181.58 2k3m n TYR 60 N -4.74 0.15 0.60 3.04 4.11 -1.26 -4.20 117.16 114.86 2k3m n TYR 60 Ca -0.04 0.04 0.13 0.00 -0.00 0.00 0.00 57.90 58.03 2k3m n TYR 60 Cb 0.19 -0.34 0.45 0.00 -0.00 0.00 0.00 39.34 39.63 2k3m n TYR 60 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.86 176.01 2k3m n GLU 61 N -1.70 0.20 0.01 -3.48 0.28 -1.26 -3.99 120.64 110.70 2k3m n GLU 61 Ca 0.04 0.25 -0.14 0.00 -0.16 0.00 0.00 57.16 57.16 2k3m n GLU 61 Cb 0.37 -1.77 -0.08 0.00 1.43 0.00 0.00 31.44 31.39 2k3m n GLU 61 CO 0.00 0.00 0.00 -0.39 -0.16 0.00 0.00 177.13 176.58 2k3m h VAL 62 N 0.00 0.06 0.57 3.84 -1.51 -1.77 1.49 116.25 118.94 2k3m h VAL 62 Ca 0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.44 2k3m h VAL 62 Cb 0.58 0.06 0.01 0.00 -2.13 0.00 0.00 31.29 29.81 2k3m h VAL 62 CO 0.00 0.00 -0.28 0.00 -1.23 0.00 0.00 177.57 176.06 2k3m h ALA 63 N -0.14 -0.87 -0.29 5.19 0.00 -1.88 3.53 119.26 124.80 2k3m h ALA 63 Ca 0.05 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.85 2k3m h ALA 63 Cb 0.67 0.30 -0.08 0.00 0.00 0.00 0.00 17.79 18.68 2k3m h ALA 63 CO -0.40 -0.81 -0.42 1.25 0.00 0.00 0.00 179.25 178.87 2k3m h HIS 64 N -1.06 -1.20 -0.17 0.00 -0.00 -1.67 0.27 115.15 111.33 2k3m h HIS 64 Ca -0.08 0.06 -0.07 0.00 -0.00 0.00 0.00 60.37 60.28 2k3m h HIS 64 Cb 0.59 0.57 -0.00 0.00 -0.00 0.00 0.00 27.41 28.57 2k3m h HIS 64 CO 0.02 -0.45 -0.19 0.22 -0.00 0.00 0.00 177.93 177.54 2k3m h ASP 65 N -0.39 0.45 0.00 3.26 3.58 0.20 -2.96 116.42 120.57 2k3m h ASP 65 Ca 0.11 -0.49 0.00 0.00 0.42 0.00 0.00 57.03 57.07 2k3m h ASP 65 Cb 0.60 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.52 2k3m h ASP 65 CO -0.50 0.85 0.00 0.61 -2.88 0.00 0.00 179.24 177.33 2k3m n GLY 66 N 0.23 1.59 0.00 -0.78 0.00 1.17 -2.12 105.19 105.29 2k3m n GLY 66 Ca -0.06 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.07 2k3m n GLY 66 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k3m n ARG 67 N 0.38 0.01 -0.06 1.61 0.63 0.88 -4.26 116.66 115.85 2k3m n ARG 67 Ca 0.00 -0.01 -0.10 0.00 -0.92 0.00 0.00 57.85 56.82 2k3m n ARG 67 Cb 0.36 -1.50 0.04 0.00 0.45 0.00 0.00 32.46 31.81 2k3m n ARG 67 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2k3m h LEU 68 N 0.02 0.79 -0.56 6.15 4.07 -1.64 -3.17 115.31 120.98 2k3m h LEU 68 Ca 0.00 -0.37 0.07 0.00 0.08 0.00 0.00 57.88 57.67 2k3m h LEU 68 Cb 0.50 -0.22 -0.10 0.00 1.08 0.00 0.00 40.66 41.92 2k3m h LEU 68 CO 0.00 1.10 -0.50 0.25 -1.08 0.00 0.00 178.44 178.21 2k3m h LEU 69 N 0.60 -1.72 0.00 1.67 6.46 -1.82 9.72 115.31 130.22 2k3m h LEU 69 Ca 0.05 0.25 0.00 0.00 -0.12 0.00 0.00 57.88 58.06 2k3m h LEU 69 Cb 0.97 0.75 0.00 0.00 -0.73 0.00 0.00 40.66 41.64 2k3m h LEU 69 CO 0.09 -0.35 0.00 0.00 -0.62 0.00 0.00 178.44 177.56 2k3m n ALA 70 N -3.14 -0.22 0.29 1.25 0.00 -1.24 -1.61 120.51 115.83 2k3m n ALA 70 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k3m n ALA 70 Cb 0.34 0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -2.03 1.43 0.06 0.00 0.00 -0.39 -4.70 120.51 114.90 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 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 0.22 0.00 0.19 0.00 1.44 3.07 0.21 115.22 120.35 2k3m n HIS 72 Ca 0.00 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.78 2k3m n HIS 72 Cb 0.05 0.00 0.32 0.00 0.12 0.00 0.00 29.99 30.48 2k3m n HIS 72 CO 0.00 0.00 0.00 0.52 -2.81 0.00 0.00 176.34 174.05 2k3m h MET 73 N 0.00 0.00 0.25 -1.40 2.86 -1.84 -3.12 114.93 111.68 2k3m h MET 73 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2k3m h MET 73 Cb 0.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 2k3m h MET 73 CO 0.00 0.34 -0.12 0.28 1.06 0.00 0.00 176.91 178.47 2k3m h VAL 74 N 0.00 0.78 0.00 -2.22 2.07 0.22 -3.07 116.25 114.03 2k3m h VAL 74 Ca -0.00 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.36 2k3m h VAL 74 Cb 0.93 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2k3m h VAL 74 CO 0.04 0.03 0.43 -3.20 0.02 0.00 0.00 177.57 174.90 2k3m n ASN 75 N -5.20 0.00 0.22 0.57 2.85 -1.18 -0.77 115.26 111.75 2k3m n ASN 75 Ca -0.09 0.12 0.16 0.00 -0.11 0.00 0.00 54.58 54.66 2k3m n ASN 75 Cb 0.18 0.00 0.68 0.00 1.24 0.00 0.00 39.78 41.88 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 0.06 8.20 0.00 -1.75 -1.64 103.07 107.94 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 -0.03 0.16 0.00 0.00 0.00 176.54 176.67 2k3m h ILE 77 N 0.00 0.00 -1.22 2.60 3.07 -1.26 1.66 117.51 122.37 2k3m h ILE 77 Ca 0.10 -0.54 0.39 0.00 1.55 0.00 0.00 64.86 66.35 2k3m h ILE 77 Cb 1.10 0.00 -0.09 0.00 -0.27 0.00 0.00 36.82 37.56 2k3m h ILE 77 CO -0.00 0.00 0.83 0.52 -1.05 0.00 0.00 178.15 178.44 2k3m n VAL 78 N -3.74 -0.11 -0.09 0.16 0.31 -0.65 0.30 118.33 114.51 2k3m n VAL 78 Ca -0.01 1.26 -0.14 0.00 -0.01 0.00 0.00 64.34 65.44 2k3m n VAL 78 Cb 0.03 -2.08 -0.14 0.00 -0.91 0.00 0.00 33.84 30.74 2k3m n VAL 78 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k3m n ILE 79 N -3.89 1.50 0.97 2.52 0.00 -1.01 -4.31 119.36 115.15 2k3m n ILE 79 Ca 0.32 -0.73 0.13 0.00 0.00 0.00 0.00 62.75 62.46 2k3m n ILE 79 Cb 1.31 -1.01 0.43 0.00 0.00 0.00 0.00 39.64 40.37 2k3m n ILE 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k3m n ALA 80 N -2.92 2.90 -0.10 1.51 0.00 0.87 -2.98 120.51 119.79 2k3m n ALA 80 Ca -0.35 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 52.88 2k3m n ALA 80 Cb 1.08 -1.30 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 -1.55 0.00 0.05 0.00 2.13 0.66 -4.73 120.64 117.21 2k3m n GLU 81 Ca 0.06 0.24 0.12 0.00 0.66 0.00 0.00 57.16 58.24 2k3m n GLU 81 Cb 0.34 -0.72 0.08 0.00 0.27 0.00 0.00 31.44 31.42 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 -2.11 0.67 -0.30 4.31 8.00 -1.26 -4.37 116.55 121.50 2k3m n ASP 82 Ca 0.00 0.02 0.06 0.00 0.71 0.00 0.00 54.79 55.59 2k3m n ASP 82 Cb 0.00 0.48 0.21 0.00 -0.02 0.00 0.00 41.12 41.79 2k3m n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k3m h ALA 83 N 2.44 1.26 -0.16 2.24 0.00 -1.75 -0.57 119.26 122.72 2k3m h ALA 83 Ca 0.00 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.03 2k3m h ALA 83 Cb 0.78 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2k3m h ALA 83 CO 0.00 -0.05 1.03 1.28 0.00 0.00 0.00 179.25 181.51 2k3m n LEU 84 N -4.84 0.00 -0.04 0.00 4.32 -1.26 0.22 117.00 115.39 2k3m n LEU 84 Ca 0.16 0.54 -0.15 0.00 -0.02 0.00 0.00 56.01 56.54 2k3m n LEU 84 Cb 0.40 -0.04 -0.14 0.00 -1.62 0.00 0.00 43.42 42.02 2k3m n LEU 84 CO 0.22 -0.54 -0.86 -0.38 -1.22 0.00 0.00 177.39 174.62 2k3m n ILE 85 N -2.61 1.61 -0.00 -0.08 5.41 -0.22 -4.41 119.36 119.07 2k3m n ILE 85 Ca 0.04 -0.72 -0.01 0.00 1.00 0.00 0.00 62.75 63.05 2k3m n ILE 85 Cb 1.08 -1.24 -0.11 0.00 -0.71 0.00 0.00 39.64 38.66 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 -2.85 1.91 0.00 -1.39 0.00 0.58 -4.02 120.51 114.74 2k3m n ALA 86 Ca -0.29 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.45 2k3m n ALA 86 Cb 1.06 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.72 2k3m n ALA 86 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2k3m n GLU 87 N -2.81 0.00 0.00 0.00 -0.00 0.33 0.18 120.64 118.34 2k3m n GLU 87 Ca -0.14 0.29 0.15 0.00 -0.00 0.00 0.00 57.16 57.45 2k3m n GLU 87 Cb 0.89 -1.57 0.69 0.00 -0.00 0.00 0.00 31.44 31.45 2k3m n GLU 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2k3m n ALA 88 N -1.26 2.69 -1.09 -1.84 0.00 -1.26 -3.48 120.51 114.28 2k3m n ALA 88 Ca 0.00 -0.28 -0.26 0.00 0.00 0.00 0.00 53.44 52.90 2k3m n ALA 88 Cb 0.07 -1.36 0.12 0.00 0.00 0.00 0.00 19.45 18.28 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 -0.77 3.19 0.09 0.00 0.24 0.48 -4.51 118.33 117.06 2k3m n VAL 89 Ca 0.18 -2.15 -0.17 0.00 -2.04 0.00 0.00 64.34 60.15 2k3m n VAL 89 Cb 0.24 -0.86 -0.11 0.00 -1.47 0.00 0.00 33.84 31.65 2k3m n VAL 89 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2k3m h GLY 90 N 1.73 0.47 0.66 7.63 0.00 -1.76 -3.12 103.07 108.68 2k3m h GLY 90 Ca 0.55 -1.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2k3m h GLY 90 CO 1.19 0.88 0.51 -2.55 0.00 0.00 0.00 176.54 176.56 2k3m h PRO 91 N 0.17 0.00 0.00 4.80 0.11 -1.91 0.97 132.00 136.14 2k3m h PRO 91 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 2k3m h PRO 91 Cb 1.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.95 2k3m h PRO 91 CO 0.20 0.00 0.16 1.12 -0.21 0.00 0.00 178.00 179.27 2k3m h HIS 92 N 0.00 0.00 0.67 0.65 2.07 -1.91 0.32 115.15 116.96 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 1.02 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.00 2k3m h HIS 92 CO 0.00 0.00 -0.32 1.37 -3.07 0.00 0.00 177.93 175.91 2k3m h LEU 93 N 0.00 -0.76 0.10 6.12 8.10 0.73 2.04 115.31 131.64 2k3m h LEU 93 Ca 0.00 -0.01 0.01 0.00 0.11 0.00 0.00 57.88 57.99 2k3m h LEU 93 Cb 0.31 0.20 -0.02 0.00 -0.44 0.00 0.00 40.66 40.71 2k3m h LEU 93 CO 0.00 -0.43 -0.16 0.00 -4.11 0.00 0.00 178.44 173.75 2k3m h ALA 94 N -0.92 -0.27 0.92 0.17 0.00 -1.18 -0.54 119.26 117.44 2k3m h ALA 94 Ca -0.09 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2k3m h ALA 94 Cb 0.72 0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.77 2k3m h ALA 94 CO 0.15 -0.68 -0.44 -0.09 0.00 0.00 0.00 179.25 178.19 2k3m h ARG 95 N -0.31 -1.19 0.00 0.00 1.12 -1.41 0.18 114.38 112.76 2k3m h ARG 95 Ca 0.02 0.08 0.00 0.00 -1.11 0.00 0.00 59.98 58.97 2k3m h ARG 95 Cb 0.32 0.27 0.00 0.00 -0.01 0.00 0.00 29.97 30.56 2k3m h ARG 95 CO -0.08 -0.79 0.37 0.00 -3.11 0.00 0.00 179.97 176.36 2k3m n ALA 96 N -2.62 0.39 0.00 2.80 0.00 0.69 -4.36 120.51 117.41 2k3m n ALA 96 Ca -0.15 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2k3m n ALA 96 Cb 0.49 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.50 2k3m n ALA 96 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2k3m n LEU 97 N -1.51 0.00 0.09 0.00 7.94 0.62 0.29 117.00 124.43 2k3m n LEU 97 Ca -0.00 0.00 0.20 0.00 -1.11 0.00 0.00 56.01 55.09 2k3m n LEU 97 Cb 0.38 0.00 0.65 0.00 0.53 0.00 0.00 43.42 44.98 2k3m n LEU 97 CO 0.02 0.00 1.17 1.23 -1.11 0.00 0.00 177.39 178.70 2k3m h GLY 98 N 0.00 0.00 2.00 -3.96 0.00 -1.84 5.73 103.07 105.00 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 0.00 1.46 0.00 0.00 0.00 176.54 178.00 2k3m h GLN 99 N 0.00 0.00 -0.62 4.80 4.20 0.40 0.83 115.11 124.72 2k3m h GLN 99 Ca 0.20 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.83 2k3m h GLN 99 Cb 1.43 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.19 2k3m h GLN 99 CO -0.00 0.00 0.07 0.97 -0.67 0.00 0.00 178.83 179.20 2k3m h ILE 100 N 0.00 1.26 0.68 2.54 6.09 1.15 -3.03 117.51 126.20 2k3m h ILE 100 Ca 0.00 -1.05 -0.03 0.00 -1.37 0.00 0.00 64.86 62.41 2k3m h ILE 100 Cb 0.21 0.71 0.00 0.00 0.47 0.00 0.00 36.82 38.21 2k3m h ILE 100 CO 0.00 0.39 -0.36 0.58 -3.07 0.00 0.00 178.15 175.69 2k3m h VAL 101 N 0.96 0.00 0.00 2.19 2.07 -0.82 0.49 116.25 121.15 2k3m h VAL 101 Ca 0.19 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.71 2k3m h VAL 101 Cb 0.46 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 2k3m h VAL 101 CO 0.02 0.00 0.55 0.00 0.02 0.00 0.00 177.57 178.15 2k3m h ARG 103 N 0.00 0.02 -0.46 0.00 2.43 -1.19 -2.95 114.38 112.24 2k3m h ARG 103 Ca 0.00 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 2k3m h ARG 103 Cb 1.09 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.62 2k3m h ARG 103 CO 0.00 1.02 0.05 0.98 -1.51 0.00 0.00 179.97 180.51 2k3m n TYR 104 N -4.39 1.60 -1.13 2.20 9.36 0.16 -4.52 117.16 120.44 2k3m n TYR 104 Ca -0.29 -0.95 0.00 0.00 3.32 0.00 0.00 57.90 59.97 2k3m n TYR 104 Cb 0.69 -0.46 0.00 0.00 -0.63 0.00 0.00 39.34 38.93 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 -0.15 1.00 1.56 2.98 0.00 1.98 -4.87 105.19 107.68 2k3m n GLY 105 Ca 0.28 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.20 0.09 4.61 0.00 -0.52 -4.75 120.51 119.73 2k3m n ALA 106 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2k3m n ALA 106 Cb 0.04 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 2.47 0.25 0.22 0.00 -1.04 -1.26 -4.73 114.28 110.18 2k3m n THR 107 Ca 0.20 0.08 0.00 0.00 -2.04 0.00 0.00 64.05 62.30 2k3m n THR 107 Cb -0.02 -0.66 0.00 0.00 -1.82 0.00 0.00 70.33 67.83 2k3m n THR 107 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 2k3m n VAL 108 N -3.24 0.07 -0.01 12.58 3.14 -1.26 -2.39 118.33 127.23 2k3m n VAL 108 Ca 0.00 0.00 -0.05 0.00 -2.96 0.00 0.00 64.34 61.33 2k3m n VAL 108 Cb 0.00 -0.27 -0.02 0.00 -1.06 0.00 0.00 33.84 32.49 2k3m n VAL 108 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2k3m n ILE 109 N 0.55 0.71 -0.27 1.55 3.06 -1.26 -4.41 119.36 119.29 2k3m n ILE 109 Ca 0.00 0.09 0.15 0.00 -2.50 0.00 0.00 62.75 60.49 2k3m n ILE 109 Cb 0.07 -1.65 0.42 0.00 0.54 0.00 0.00 39.64 39.03 2k3m n ILE 109 CO 0.00 0.00 0.00 1.55 -2.50 0.00 0.00 176.55 175.60 2k3m h PRO 110 N -0.21 0.57 0.09 9.51 0.13 -1.76 0.27 132.00 140.61 2k3m h PRO 110 Ca -0.09 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.00 2k3m h PRO 110 Cb 0.76 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.77 2k3m h PRO 110 CO -0.05 0.38 -0.05 -0.97 -0.23 0.00 0.00 178.00 177.08 2k3m h ASN 111 N 0.59 -0.11 -0.54 1.44 -1.24 -1.82 -2.28 115.58 111.62 2k3m h ASN 111 Ca 0.47 0.00 0.16 0.00 0.71 0.00 0.00 56.30 57.64 2k3m h ASN 111 Cb 0.92 0.03 -0.02 0.00 0.73 0.00 0.00 38.32 39.98 2k3m h ASN 111 CO -0.22 -0.04 0.57 0.16 -1.29 0.00 0.00 177.43 176.61 2k3m h ILE 112 N -0.19 0.33 0.19 2.57 3.07 -1.75 0.31 117.51 122.04 2k3m h ILE 112 Ca -0.01 0.00 -0.00 0.00 1.55 0.00 0.00 64.86 66.39 2k3m h ILE 112 Cb 0.10 0.55 -0.00 0.00 -0.27 0.00 0.00 36.82 37.19 2k3m h ILE 112 CO 0.02 0.00 -0.12 -1.13 -1.05 0.00 0.00 178.15 175.87 2k3m h ASN 113 N 0.00 -0.31 0.09 2.16 -0.73 -0.31 1.73 115.58 118.21 2k3m h ASN 113 Ca 0.26 0.02 -0.05 0.00 1.87 0.00 0.00 56.30 58.40 2k3m h ASN 113 Cb 1.39 0.10 -0.01 0.00 0.27 0.00 0.00 38.32 40.07 2k3m h ASN 113 CO -0.00 -0.20 -0.15 0.00 -0.37 0.00 0.00 177.43 176.70 2k3m h ALA 114 N 0.48 1.58 0.00 1.57 0.00 0.22 -0.82 119.26 122.30 2k3m h ALA 114 Ca -0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2k3m h ALA 114 Cb 0.27 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2k3m h ALA 114 CO 0.01 0.30 -0.32 0.00 0.00 0.00 0.00 179.25 179.25 2k3m h ALA 115 N 1.72 0.02 -0.01 0.00 0.00 -1.21 -2.64 119.26 117.14 2k3m h ALA 115 Ca 0.03 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.61 2k3m h ALA 115 Cb 0.36 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 2k3m h ALA 115 CO 0.02 0.28 -0.44 0.82 0.00 0.00 0.00 179.25 179.93 2k3m h ILE 116 N -1.00 0.13 -0.39 0.00 2.04 0.25 1.58 117.51 120.12 2k3m h ILE 116 Ca -0.03 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.91 2k3m h ILE 116 Cb 0.40 0.13 -0.08 0.00 -0.74 0.00 0.00 36.82 36.53 2k3m h ILE 116 CO -0.02 0.00 -0.12 -0.33 0.00 0.00 0.00 178.15 177.68 2k3m h GLU 117 N -0.59 -0.03 -0.01 2.37 5.08 -1.18 1.42 114.58 121.64 2k3m h GLU 117 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2k3m h GLU 117 Cb 0.66 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 2k3m h GLU 117 CO -0.33 -0.02 0.01 0.28 -1.00 0.00 0.00 179.01 177.95 2k3m h VAL 118 N -0.03 0.88 0.07 3.13 2.07 -0.57 0.71 116.25 122.51 2k3m h VAL 118 Ca 0.19 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.71 2k3m h VAL 118 Cb 0.32 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2k3m h VAL 118 CO -0.42 0.00 -0.03 0.25 0.02 0.00 0.00 177.57 177.39 2k3m h LEU 119 N 0.00 -0.08 0.00 2.57 6.46 1.05 -3.41 115.31 121.90 2k3m h LEU 119 Ca 0.01 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 2k3m h LEU 119 Cb 0.03 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 39.98 2k3m h LEU 119 CO -0.00 0.33 0.00 0.61 -0.62 0.00 0.00 178.44 178.76 2k3m n GLY 120 N 1.55 -1.86 0.00 3.75 0.00 0.40 -5.02 105.19 104.01 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 -1.30 0.00 0.00 0.00 173.32 172.02 2k3m n THR 121 N -0.39 0.00 0.00 2.61 -2.24 0.25 -4.93 114.28 109.58 2k3m n THR 121 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2k3m n THR 121 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2k3m n THR 121 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k3m n GLY 122 N 0.00 2.05 3.54 3.38 0.00 -1.26 -4.76 105.19 108.13 2k3m n GLY 122 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.67 0.00 -3.82 2.61 5.66 -1.26 -4.63 114.28 111.17 2k3m n THR 123 Ca 0.00 -0.10 -0.05 0.00 -3.05 0.00 0.00 64.05 60.86 2k3m n THR 123 Cb 0.00 -1.84 0.00 0.00 -1.55 0.00 0.00 70.33 66.95 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 8.14 -0.09 -0.04 1.09 1.01 -1.26 -4.69 116.67 120.83 2k3m s ASP 124 Ca 0.78 -0.65 -0.03 0.00 0.71 0.00 0.00 52.55 53.36 2k3m s ASP 124 Cb -0.06 0.58 0.01 0.00 1.01 0.00 0.00 42.92 44.46 2k3m s ASP 124 CO 0.17 -1.12 0.10 -0.47 0.21 0.00 0.00 175.17 174.07 2k3m s TYR 125 N -2.79 -0.11 0.02 4.23 5.04 -1.26 -5.10 117.35 117.37 2k3m s TYR 125 Ca 0.16 0.29 -0.14 0.00 -2.44 0.00 0.00 57.07 54.94 2k3m s TYR 125 Cb -0.03 0.02 0.02 0.00 0.35 0.00 0.00 41.96 42.32 2k3m s TYR 125 CO 0.05 -0.07 0.31 0.50 -1.34 0.00 0.00 175.55 175.01 2k3m s ARG 126 N 0.18 0.76 0.00 4.97 6.06 -1.26 -4.97 118.95 124.70 2k3m s ARG 126 Ca -0.01 -0.39 0.01 0.00 -2.50 0.00 0.00 55.73 52.84 2k3m s ARG 126 Cb -0.02 0.33 0.01 0.00 0.06 0.00 0.00 34.95 35.33 2k3m s ARG 126 CO -0.01 -0.23 0.52 1.97 -2.50 0.00 0.00 175.30 175.05