#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dnl n GLY 21 N 0.00 -1.88 3.09 -0.02 0.00 -1.26 -4.72 105.19 100.40 1dnl n GLY 21 Ca 0.00 -1.17 -0.33 0.00 0.00 0.00 0.00 46.02 44.52 1dnl n GLY 21 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1dnl s LEU 22 N 0.00 3.64 0.04 0.99 2.96 -1.26 -5.10 118.68 119.94 1dnl s LEU 22 Ca 0.00 -1.43 0.02 0.00 -0.22 0.00 0.00 54.13 52.50 1dnl s LEU 22 Cb 0.00 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 45.06 1dnl s LEU 22 CO 0.00 -0.22 0.03 -0.13 -1.32 0.00 0.00 176.35 174.71 1dnl s ARG 23 N 1.11 2.78 0.23 1.98 1.81 -1.26 -4.94 118.95 120.67 1dnl s ARG 23 Ca -0.07 -0.66 -0.06 0.00 -1.72 0.00 0.00 55.73 53.22 1dnl s ARG 23 Cb -0.20 -2.68 0.36 0.00 -0.45 0.00 0.00 34.95 31.99 1dnl s ARG 23 CO -0.04 0.60 1.79 -0.09 -0.68 0.00 0.00 175.30 176.87 1dnl h ARG 24 N 3.89 0.63 0.00 3.54 2.43 -1.99 -1.56 114.38 121.33 1dnl h ARG 24 Ca -0.48 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 1dnl h ARG 24 Cb 1.17 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 1dnl h ARG 24 CO 0.60 0.42 0.07 0.07 -1.51 0.00 0.00 179.97 179.62 1dnl h ARG 25 N 0.65 0.00 -0.02 0.20 0.11 -2.04 -1.10 114.38 112.19 1dnl h ARG 25 Ca 0.37 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.45 1dnl h ARG 25 Cb 0.38 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.46 1dnl h ARG 25 CO -0.27 0.00 -0.36 -0.25 0.10 0.00 0.00 179.97 179.19 1dnl n ASP 26 N -2.87 2.25 -4.76 0.08 8.00 -0.59 -4.98 116.55 113.68 1dnl n ASP 26 Ca -0.02 -1.63 -0.40 0.00 0.71 0.00 0.00 54.79 53.45 1dnl n ASP 26 Cb 0.13 0.36 -0.03 0.00 -0.02 0.00 0.00 41.12 41.55 1dnl n ASP 26 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1dnl s LEU 27 N -2.36 4.45 0.59 0.64 1.02 -0.42 -5.02 118.68 117.59 1dnl s LEU 27 Ca 0.21 2.44 -0.13 0.00 0.02 0.00 0.00 54.13 56.67 1dnl s LEU 27 Cb 0.19 -3.70 -0.05 0.00 0.02 0.00 0.00 46.19 42.65 1dnl s LEU 27 CO 0.51 -0.37 1.02 -2.16 0.02 0.00 0.00 176.35 175.37 1dnl s PRO 28 N -1.71 3.64 0.26 1.29 0.04 -1.26 -4.97 135.00 132.28 1dnl s PRO 28 Ca 0.48 0.85 -0.02 0.00 0.04 0.00 0.00 61.00 62.35 1dnl s PRO 28 Cb -0.35 -2.09 0.33 0.00 0.04 0.00 0.00 34.50 32.43 1dnl s PRO 28 CO 0.45 -0.53 1.76 0.00 0.04 0.00 0.00 177.00 178.71 1dnl h ALA 29 N 0.05 1.10 -2.90 8.56 0.00 -2.00 -3.40 119.26 120.67 1dnl h ALA 29 Ca -0.45 -0.26 -0.64 0.00 0.00 0.00 0.00 54.91 53.55 1dnl h ALA 29 Cb 1.19 -0.20 -0.18 0.00 0.00 0.00 0.00 17.79 18.61 1dnl h ALA 29 CO 0.61 0.57 -0.53 0.34 0.00 0.00 0.00 179.25 180.25 1dnl s ASP 30 N -6.64 5.91 0.55 0.00 3.68 -1.26 -4.85 116.67 114.07 1dnl s ASP 30 Ca -0.10 -0.06 0.24 0.00 2.13 0.00 0.00 52.55 54.76 1dnl s ASP 30 Cb 0.15 -2.10 1.50 0.00 -1.45 0.00 0.00 42.92 41.02 1dnl s ASP 30 CO 0.81 -0.06 2.12 1.55 0.13 0.00 0.00 175.17 179.72 1dnl h PRO 31 N 8.36 0.00 0.00 4.34 0.13 -2.00 -0.71 132.00 142.12 1dnl h PRO 31 Ca -0.35 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.77 1dnl h PRO 31 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1dnl h PRO 31 CO 0.56 0.00 -0.05 -0.07 -0.23 0.00 0.00 178.00 178.21 1dnl h LEU 32 N 0.00 0.00 -0.41 1.56 3.38 -1.96 -0.73 115.31 117.16 1dnl h LEU 32 Ca 0.08 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 1dnl h LEU 32 Cb 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1dnl h LEU 32 CO -0.00 0.05 -0.18 0.74 0.09 0.00 0.00 178.44 179.14 1dnl h THR 33 N 0.00 1.28 -0.26 0.22 2.02 -1.52 0.10 112.91 114.75 1dnl h THR 33 Ca -0.00 -1.31 -0.14 0.00 0.77 0.00 0.00 66.41 65.73 1dnl h THR 33 Cb 0.25 1.26 -0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1dnl h THR 33 CO 0.01 0.44 -0.37 0.25 0.37 0.00 0.00 175.52 176.22 1dnl h LEU 34 N 0.66 0.77 -0.37 2.58 5.85 -1.38 -2.59 115.31 120.84 1dnl h LEU 34 Ca 0.09 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.31 1dnl h LEU 34 Cb 0.73 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1dnl h LEU 34 CO 0.06 1.13 0.24 0.15 -0.34 0.00 0.00 178.44 179.67 1dnl h PHE 35 N 0.44 0.47 -0.81 1.25 3.04 -1.04 -0.90 116.94 119.39 1dnl h PHE 35 Ca 0.03 0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.06 1dnl h PHE 35 Cb 0.95 -0.16 -0.06 0.00 2.56 0.00 0.00 35.95 39.24 1dnl h PHE 35 CO 0.08 0.30 0.48 1.49 -2.02 0.00 0.00 178.31 178.65 1dnl h GLU 36 N 0.49 0.84 -0.24 1.11 4.81 -0.78 0.21 114.58 121.02 1dnl h GLU 36 Ca 0.13 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1dnl h GLU 36 Cb -0.04 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.14 1dnl h GLU 36 CO -0.03 0.55 0.08 -0.09 -0.73 0.00 0.00 179.01 178.80 1dnl h ARG 37 N 0.86 0.37 -0.58 1.92 2.43 -1.03 -0.85 114.38 117.51 1dnl h ARG 37 Ca 0.37 -0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 59.39 1dnl h ARG 37 Cb 0.23 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1dnl h ARG 37 CO -0.20 0.44 0.08 -1.49 -1.51 0.00 0.00 179.97 177.29 1dnl h TRP 38 N 0.23 1.03 -0.62 2.20 4.06 -0.59 -1.32 115.95 120.94 1dnl h TRP 38 Ca 0.08 -0.15 -0.03 0.00 2.06 0.00 0.00 58.89 60.85 1dnl h TRP 38 Cb 0.22 -0.28 -0.03 0.00 -1.00 0.00 0.00 29.16 28.07 1dnl h TRP 38 CO -0.00 0.90 0.26 1.25 -3.56 0.00 0.00 178.44 177.30 1dnl h LEU 39 N 0.86 0.85 -0.79 -4.49 5.85 -0.51 -0.89 115.31 116.19 1dnl h LEU 39 Ca 0.17 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1dnl h LEU 39 Cb 0.44 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 1dnl h LEU 39 CO 0.01 0.77 0.46 -1.28 -0.34 0.00 0.00 178.44 178.07 1dnl h SER 40 N 0.87 0.96 0.50 1.25 0.87 -0.94 -1.70 113.55 115.36 1dnl h SER 40 Ca 0.21 -0.08 -0.10 0.00 -1.23 0.00 0.00 61.79 60.59 1dnl h SER 40 Cb 0.18 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 1dnl h SER 40 CO -0.02 0.76 -0.48 1.56 -0.53 0.00 0.00 176.83 178.12 1dnl h GLN 41 N 1.08 0.00 -0.41 2.24 4.20 -0.78 -1.78 115.11 119.67 1dnl h GLN 41 Ca 0.28 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.84 1dnl h GLN 41 Cb -0.01 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1dnl h GLN 41 CO -0.05 0.48 -0.33 0.00 -0.67 0.00 0.00 178.83 178.26 1dnl h ALA 42 N 1.52 0.63 -0.50 3.87 0.00 -0.60 -1.30 119.26 122.88 1dnl h ALA 42 Ca -0.00 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 1dnl h ALA 42 Cb 0.86 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1dnl h ALA 42 CO 0.06 0.68 0.00 0.00 0.00 0.00 0.00 179.25 179.99 1dnl h GLU 44 N 0.75 0.35 -0.01 0.00 4.81 -1.19 -1.39 114.58 117.91 1dnl h GLU 44 Ca 0.14 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1dnl h GLU 44 Cb 0.52 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1dnl h GLU 44 CO 0.03 0.45 -0.00 0.00 -0.73 0.00 0.00 179.01 178.76 1dnl n ALA 45 N -2.49 2.65 -3.56 2.92 0.00 -0.50 -4.93 120.51 114.60 1dnl n ALA 45 Ca 0.00 -0.29 -0.22 0.00 0.00 0.00 0.00 53.44 52.93 1dnl n ALA 45 Cb 0.26 -1.39 0.08 0.00 0.00 0.00 0.00 19.45 18.40 1dnl n ALA 45 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1dnl n LYS 46 N -0.58 -7.44 -2.28 0.00 4.01 -0.52 -4.98 118.16 106.37 1dnl n LYS 46 Ca 0.22 0.82 -0.34 0.00 -0.51 0.00 0.00 58.31 58.50 1dnl n LYS 46 Cb 0.20 -5.86 -0.00 0.00 -0.51 0.00 0.00 35.03 28.86 1dnl n LYS 46 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1dnl s LEU 47 N -7.01 3.72 0.25 -0.35 1.43 -0.98 -4.96 118.68 110.78 1dnl s LEU 47 Ca 0.40 2.04 -0.30 0.00 -1.03 0.00 0.00 54.13 55.25 1dnl s LEU 47 Cb -0.18 -4.57 -0.09 0.00 0.03 0.00 0.00 46.19 41.39 1dnl s LEU 47 CO 0.73 -1.11 1.22 0.00 0.23 0.00 0.00 176.35 177.43 1dnl s ALA 48 N -1.96 3.47 -0.86 4.21 0.00 -1.26 -3.92 121.76 121.43 1dnl s ALA 48 Ca 0.69 1.05 -0.03 0.00 0.00 0.00 0.00 51.96 53.68 1dnl s ALA 48 Cb -0.20 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1dnl s ALA 48 CO 0.27 -0.42 0.61 -0.25 0.00 0.00 0.00 175.76 175.97 1dnl n ASP 49 N 1.76 -4.88 0.31 0.00 8.00 -1.26 -4.82 116.55 115.65 1dnl n ASP 49 Ca 0.02 -0.97 0.18 0.00 0.71 0.00 0.00 54.79 54.73 1dnl n ASP 49 Cb 0.43 -1.78 1.01 0.00 -0.02 0.00 0.00 41.12 40.76 1dnl n ASP 49 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 1dnl h PRO 50 N -0.45 0.00 -0.06 -0.24 0.11 -1.92 -0.09 132.00 129.35 1dnl h PRO 50 Ca -0.62 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.49 1dnl h PRO 50 Cb 1.39 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.50 1dnl h PRO 50 CO 0.38 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.42 1dnl n THR 51 N -3.59 0.06 -1.24 -1.15 -2.24 -1.26 -5.02 114.28 99.85 1dnl n THR 51 Ca -0.03 -0.28 -0.30 0.00 -2.27 0.00 0.00 64.05 61.17 1dnl n THR 51 Cb 0.09 0.48 0.14 0.00 -2.10 0.00 0.00 70.33 68.93 1dnl n THR 51 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dnl s ALA 52 N -1.94 1.55 -0.12 6.98 0.00 -0.05 -0.73 121.76 127.46 1dnl s ALA 52 Ca 0.36 -0.11 -0.00 0.00 0.00 0.00 0.00 51.96 52.21 1dnl s ALA 52 Cb 0.20 -3.17 0.02 0.00 0.00 0.00 0.00 23.12 20.17 1dnl s ALA 52 CO 0.32 -2.35 -0.09 0.08 0.00 0.00 0.00 175.76 173.72 1dnl s VAL 54 N -2.96 1.13 -0.20 0.00 1.01 0.83 -4.49 120.40 115.72 1dnl s VAL 54 Ca 0.63 -0.36 -0.08 0.00 0.00 0.00 0.00 61.98 62.17 1dnl s VAL 54 Cb -0.18 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 1dnl s VAL 54 CO 0.57 0.38 0.08 0.54 0.00 0.00 0.00 175.10 176.67 1dnl s VAL 55 N 1.58 4.79 -0.14 2.92 0.11 -0.19 -1.19 120.40 128.28 1dnl s VAL 55 Ca 0.03 -0.03 -0.03 0.00 -2.93 0.00 0.00 61.98 59.02 1dnl s VAL 55 Cb -0.13 -3.18 -0.03 0.00 -1.53 0.00 0.00 36.38 31.51 1dnl s VAL 55 CO -0.08 0.42 -0.02 0.00 -3.33 0.00 0.00 175.10 172.09 1dnl s ALA 56 N 0.67 3.09 0.34 1.54 0.00 0.29 -2.69 121.76 125.00 1dnl s ALA 56 Ca 0.04 -0.81 0.04 0.00 0.00 0.00 0.00 51.96 51.23 1dnl s ALA 56 Cb -0.13 -1.55 -0.06 0.00 0.00 0.00 0.00 23.12 21.38 1dnl s ALA 56 CO 0.02 0.31 0.06 0.95 0.00 0.00 0.00 175.76 177.09 1dnl s THR 57 N 0.05 1.21 -0.04 0.00 -4.23 -0.51 -2.16 115.64 109.96 1dnl s THR 57 Ca 0.01 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.55 1dnl s THR 57 Cb -0.13 -2.78 0.00 0.00 1.34 0.00 0.00 72.50 70.93 1dnl s THR 57 CO 0.02 0.00 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.30 1dnl s VAL 58 N -3.25 1.01 0.65 2.29 1.01 -1.26 -0.59 120.40 120.25 1dnl s VAL 58 Ca 0.36 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 61.78 1dnl s VAL 58 Cb 0.08 -0.89 0.14 0.00 0.00 0.00 0.00 36.38 35.71 1dnl s VAL 58 CO 0.15 0.31 0.88 -0.90 0.00 0.00 0.00 175.10 175.55 1dnl n ASP 59 N 3.34 0.39 0.19 3.32 5.68 -0.40 -4.65 116.55 124.42 1dnl n ASP 59 Ca -0.19 -1.52 0.14 0.00 -0.50 0.00 0.00 54.79 52.72 1dnl n ASP 59 Cb 0.53 -0.64 0.67 0.00 -1.14 0.00 0.00 41.12 40.54 1dnl n ASP 59 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1dnl h GLU 60 N 0.00 0.00 -0.34 0.11 4.11 -1.93 -2.43 114.58 114.10 1dnl h GLU 60 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.14 1dnl h GLU 60 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1dnl h GLU 60 CO 0.23 0.00 0.00 0.72 0.07 0.00 0.00 179.01 180.03 1dnl n HIS 61 N -2.48 0.44 -0.71 2.06 8.25 -1.26 -4.93 115.22 116.59 1dnl n HIS 61 Ca -0.00 -0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.24 1dnl n HIS 61 Cb 0.13 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.24 1dnl n HIS 61 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dnl n GLY 62 N 1.48 0.63 3.64 -1.41 0.00 -0.92 -5.04 105.19 103.57 1dnl n GLY 62 Ca 0.19 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1dnl n GLY 62 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1dnl s GLN 63 N -0.48 4.14 0.45 1.61 2.00 -1.26 -4.86 119.66 121.25 1dnl s GLN 63 Ca 0.00 0.53 -0.20 0.00 -2.00 0.00 0.00 55.36 53.69 1dnl s GLN 63 Cb 0.00 -3.63 -0.10 0.00 0.80 0.00 0.00 33.01 30.08 1dnl s GLN 63 CO 0.00 -0.34 0.95 -1.25 -0.50 0.00 0.00 175.29 174.15 1dnl s PRO 64 N 2.27 4.17 0.07 1.67 0.04 -1.26 -1.28 135.00 140.68 1dnl s PRO 64 Ca 0.26 1.08 0.04 0.00 0.04 0.00 0.00 61.00 62.42 1dnl s PRO 64 Cb -0.16 -2.17 -0.03 0.00 0.04 0.00 0.00 34.50 32.18 1dnl s PRO 64 CO 0.09 -0.08 -0.12 0.71 0.04 0.00 0.00 177.00 177.65 1dnl s TYR 65 N -2.27 1.04 0.04 0.56 1.51 0.24 -4.95 117.35 113.52 1dnl s TYR 65 Ca 0.61 -0.52 0.01 0.00 -1.01 0.00 0.00 57.07 56.16 1dnl s TYR 65 Cb -0.09 -0.59 -0.03 0.00 -0.11 0.00 0.00 41.96 41.14 1dnl s TYR 65 CO 0.17 0.01 -0.05 -0.65 -1.11 0.00 0.00 175.55 173.92 1dnl s GLN 66 N -1.96 0.50 -0.09 -0.62 -0.21 -1.26 -1.42 119.66 114.59 1dnl s GLN 66 Ca -0.02 -0.86 -0.30 0.00 0.02 0.00 0.00 55.36 54.20 1dnl s GLN 66 Cb -0.08 -0.03 0.11 0.00 1.00 0.00 0.00 33.01 34.01 1dnl s GLN 66 CO 0.01 -0.03 0.92 -0.98 -2.12 0.00 0.00 175.29 173.10 1dnl s ARG 67 N -2.26 0.72 0.18 2.91 3.03 -1.09 -5.00 118.95 117.44 1dnl s ARG 67 Ca -0.06 -0.00 -0.21 0.00 2.03 0.00 0.00 55.73 57.49 1dnl s ARG 67 Cb -0.05 0.34 -0.08 0.00 -1.03 0.00 0.00 34.95 34.13 1dnl s ARG 67 CO -0.03 -0.26 0.70 0.42 -1.13 0.00 0.00 175.30 175.00 1dnl s ILE 68 N -1.83 4.56 0.16 4.99 1.01 -1.26 -1.02 121.20 127.81 1dnl s ILE 68 Ca -0.00 1.34 -0.01 0.00 0.00 0.00 0.00 60.65 61.98 1dnl s ILE 68 Cb -0.01 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 1dnl s ILE 68 CO -0.01 0.34 0.08 0.68 0.00 0.00 0.00 174.94 176.03 1dnl s VAL 69 N -1.37 0.09 -0.16 2.92 -7.23 -1.26 -4.94 120.40 108.46 1dnl s VAL 69 Ca 0.39 -1.94 -0.07 0.00 -1.81 0.00 0.00 61.98 58.54 1dnl s VAL 69 Cb -0.19 -2.21 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 1dnl s VAL 69 CO 0.22 -0.30 0.10 -0.76 -0.31 0.00 0.00 175.10 174.05 1dnl s LEU 70 N -3.09 4.10 -0.02 1.32 1.43 -1.26 -4.41 118.68 116.75 1dnl s LEU 70 Ca 0.29 0.26 -0.30 0.00 -1.03 0.00 0.00 54.13 53.35 1dnl s LEU 70 Cb 0.07 -2.02 -0.05 0.00 0.03 0.00 0.00 46.19 44.23 1dnl s LEU 70 CO 0.05 0.28 1.29 -0.22 0.23 0.00 0.00 176.35 177.98 1dnl s LEU 71 N -0.23 4.30 -0.11 1.79 2.96 0.09 -4.54 118.68 122.94 1dnl s LEU 71 Ca 0.10 1.97 0.13 0.00 -0.22 0.00 0.00 54.13 56.11 1dnl s LEU 71 Cb -0.12 -3.56 -0.19 0.00 0.50 0.00 0.00 46.19 42.82 1dnl s LEU 71 CO 0.01 -0.63 0.12 0.29 -1.32 0.00 0.00 176.35 174.81 1dnl n LYS 72 N 5.14 1.40 -3.52 1.98 4.76 0.09 -4.88 118.16 123.13 1dnl n LYS 72 Ca 0.12 -0.04 -0.14 0.00 -2.87 0.00 0.00 58.31 55.38 1dnl n LYS 72 Cb 0.45 -1.36 -0.05 0.00 -1.84 0.00 0.00 35.03 32.23 1dnl n LYS 72 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1dnl s HIS 73 N -2.52 -0.53 -0.04 2.13 2.46 -1.23 -5.02 115.29 110.54 1dnl s HIS 73 Ca -0.07 0.78 -0.28 0.00 0.47 0.00 0.00 55.06 55.97 1dnl s HIS 73 Cb 0.06 0.45 0.06 0.00 -0.13 0.00 0.00 32.58 33.02 1dnl s HIS 73 CO 0.59 -0.56 0.61 1.52 -2.47 0.00 0.00 174.74 174.43 1dnl s TYR 74 N -1.71 -0.57 0.09 3.88 -0.85 -1.26 -0.57 117.35 116.36 1dnl s TYR 74 Ca -0.05 0.95 -0.05 0.00 -0.52 0.00 0.00 57.07 57.40 1dnl s TYR 74 Cb -0.00 0.35 0.02 0.00 0.38 0.00 0.00 41.96 42.71 1dnl s TYR 74 CO 0.03 -0.57 0.27 -0.40 -1.52 0.00 0.00 175.55 173.36 1dnl n ASP 75 N 0.96 -0.60 0.26 -0.18 3.85 -0.99 -5.00 116.55 114.86 1dnl n ASP 75 Ca -0.19 -1.37 0.18 0.00 -0.71 0.00 0.00 54.79 52.69 1dnl n ASP 75 Cb 0.57 0.99 0.87 0.00 -1.35 0.00 0.00 41.12 42.20 1dnl n ASP 75 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 1dnl h GLU 76 N 0.00 0.00 0.00 0.11 9.09 -2.02 0.48 114.58 122.25 1dnl h GLU 76 Ca -0.09 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.32 1dnl h GLU 76 Cb 0.36 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.46 1dnl h GLU 76 CO 0.12 0.00 -0.06 0.87 0.05 0.00 0.00 179.01 179.99 1dnl h LYS 77 N 0.00 0.00 0.00 1.06 1.57 -1.95 -3.43 116.57 113.82 1dnl h LYS 77 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1dnl h LYS 77 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1dnl h LYS 77 CO -0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 1dnl n GLY 78 N 1.29 0.65 3.64 3.86 0.00 0.16 -4.27 105.19 110.52 1dnl n GLY 78 Ca 0.05 -0.78 -0.07 0.00 0.00 0.00 0.00 46.02 45.22 1dnl n GLY 78 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dnl s VAL 80 N 0.00 0.00 0.06 1.61 1.01 0.26 -2.33 120.40 121.00 1dnl s VAL 80 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 61.98 61.98 1dnl s VAL 80 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 1dnl s VAL 80 CO 0.00 0.00 -0.04 0.72 0.00 0.00 0.00 175.10 175.78 1dnl s PHE 81 N 0.53 0.58 0.18 5.22 -0.71 -0.87 -0.73 117.98 122.18 1dnl s PHE 81 Ca -0.00 -0.95 0.10 0.00 -1.04 0.00 0.00 56.93 55.04 1dnl s PHE 81 Cb -0.05 -0.39 -0.04 0.00 -1.21 0.00 0.00 43.02 41.33 1dnl s PHE 81 CO -0.09 -0.29 -0.14 0.71 -1.34 0.00 0.00 175.22 174.06 1dnl s TYR 82 N -3.45 2.53 0.25 3.49 1.51 -1.26 -1.22 117.35 119.20 1dnl s TYR 82 Ca 0.05 -0.26 -0.20 0.00 -1.01 0.00 0.00 57.07 55.64 1dnl s TYR 82 Cb 0.04 -1.25 0.06 0.00 -0.11 0.00 0.00 41.96 40.71 1dnl s TYR 82 CO -0.07 0.50 0.93 -0.08 -1.11 0.00 0.00 175.55 175.71 1dnl s THR 83 N -1.64 0.00 -0.05 -0.71 -1.32 -0.38 -4.93 115.64 106.61 1dnl s THR 83 Ca 0.23 -0.75 -0.26 0.00 -1.21 0.00 0.00 61.69 59.70 1dnl s THR 83 Cb -0.09 -2.70 -0.03 0.00 -1.51 0.00 0.00 72.50 68.17 1dnl s THR 83 CO 0.13 0.00 0.82 0.21 -2.21 0.00 0.00 174.62 173.57 1dnl s ASN 84 N -3.20 7.13 0.00 8.08 3.04 -1.26 -1.47 114.94 127.26 1dnl s ASN 84 Ca 0.18 1.36 0.14 0.00 0.04 0.00 0.00 52.86 54.58 1dnl s ASN 84 Cb -0.03 -2.48 0.60 0.00 -1.54 0.00 0.00 41.25 37.80 1dnl s ASN 84 CO 0.07 -0.21 1.43 0.18 -3.04 0.00 0.00 177.10 175.53 1dnl n LEU 85 N 4.00 0.00 -0.96 3.21 4.77 0.11 -2.02 117.00 126.12 1dnl n LEU 85 Ca 0.02 0.47 0.12 0.00 -0.03 0.00 0.00 56.01 56.59 1dnl n LEU 85 Cb 0.51 -0.47 0.10 0.00 -2.33 0.00 0.00 43.42 41.23 1dnl n LEU 85 CO 0.49 -0.25 0.63 0.61 -1.33 0.00 0.00 177.39 177.54 1dnl n GLY 86 N -0.10 1.01 3.67 -0.72 0.00 -1.26 -4.63 105.19 103.16 1dnl n GLY 86 Ca 0.04 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 45.08 1dnl n GLY 86 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dnl s SER 87 N -1.96 2.76 0.18 1.61 1.04 -0.85 -4.83 113.70 111.65 1dnl s SER 87 Ca 0.28 1.41 -0.10 0.00 0.48 0.00 0.00 55.95 58.02 1dnl s SER 87 Cb 0.20 -2.09 0.08 0.00 0.10 0.00 0.00 66.02 64.31 1dnl s SER 87 CO 0.30 -3.07 1.67 0.03 0.98 0.00 0.00 173.24 173.15 1dnl h ARG 88 N -1.85 1.03 -0.43 4.02 3.08 -1.89 -1.84 114.38 116.51 1dnl h ARG 88 Ca -0.53 -0.27 -0.04 0.00 0.07 0.00 0.00 59.98 59.21 1dnl h ARG 88 Cb 1.31 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.21 1dnl h ARG 88 CO 0.54 0.96 0.10 1.57 -1.07 0.00 0.00 179.97 182.07 1dnl h LYS 89 N 0.94 0.64 -0.22 0.04 2.10 -1.92 -0.32 116.57 117.83 1dnl h LYS 89 Ca 0.19 -0.11 -0.07 0.00 -2.00 0.00 0.00 60.65 58.66 1dnl h LYS 89 Cb 0.42 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 31.64 1dnl h LYS 89 CO 0.01 0.59 -0.13 0.00 -2.00 0.00 0.00 179.45 177.92 1dnl h ALA 90 N 1.49 0.31 -0.77 0.07 0.00 -1.75 -0.73 119.26 117.88 1dnl h ALA 90 Ca 0.14 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1dnl h ALA 90 Cb 0.25 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1dnl h ALA 90 CO -0.00 0.17 0.41 1.25 0.00 0.00 0.00 179.25 181.08 1dnl h HIS 91 N 0.17 1.05 -0.35 0.00 -0.00 -1.03 -1.38 115.15 113.61 1dnl h HIS 91 Ca 0.05 -0.02 -0.14 0.00 -0.00 0.00 0.00 60.37 60.25 1dnl h HIS 91 Cb 0.63 -0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 27.70 1dnl h HIS 91 CO 0.07 0.74 -0.32 1.96 -0.00 0.00 0.00 177.93 180.37 1dnl h GLN 92 N 1.08 0.83 -0.63 5.26 4.20 -0.92 -2.97 115.11 121.95 1dnl h GLN 92 Ca 0.27 -0.43 -0.05 0.00 0.06 0.00 0.00 58.65 58.51 1dnl h GLN 92 Cb 0.04 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 1dnl h GLN 92 CO -0.04 1.07 0.21 0.82 -0.67 0.00 0.00 178.83 180.22 1dnl h ILE 93 N 0.62 1.23 -0.03 2.54 2.04 -0.87 0.06 117.51 123.10 1dnl h ILE 93 Ca 0.06 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.12 1dnl h ILE 93 Cb 0.91 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1dnl h ILE 93 CO 0.08 0.31 -0.05 -0.33 0.00 0.00 0.00 178.15 178.16 1dnl h GLU 94 N 0.93 0.04 0.00 2.37 5.08 -1.12 -2.55 114.58 119.33 1dnl h GLU 94 Ca 0.21 -0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.30 1dnl h GLU 94 Cb 0.24 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.44 1dnl h GLU 94 CO -0.01 0.09 -1.60 -0.97 -1.00 0.00 0.00 179.01 175.51 1dnl h ASN 95 N 0.04 0.00 -1.99 1.42 -0.73 -1.26 -3.45 115.58 109.61 1dnl h ASN 95 Ca 0.01 0.00 -0.22 0.00 1.87 0.00 0.00 56.30 57.96 1dnl h ASN 95 Cb 0.11 0.00 -0.31 0.00 0.27 0.00 0.00 38.32 38.39 1dnl h ASN 95 CO 0.01 0.93 -0.55 0.21 -0.37 0.00 0.00 177.43 177.66 1dnl s ASN 96 N -6.09 0.74 0.00 1.15 3.84 -0.05 -5.04 114.94 109.49 1dnl s ASN 96 Ca -0.04 -0.18 0.20 0.00 0.21 0.00 0.00 52.86 53.06 1dnl s ASN 96 Cb 0.08 0.88 1.03 0.00 -0.55 0.00 0.00 41.25 42.70 1dnl s ASN 96 CO 0.82 -0.33 1.65 -0.81 -2.79 0.00 0.00 177.10 175.63 1dnl n PRO 97 N 5.34 0.29 -2.43 0.43 -0.04 -1.02 -4.00 135.00 133.58 1dnl n PRO 97 Ca -0.03 0.09 -0.43 0.00 -0.04 0.00 0.00 63.50 63.10 1dnl n PRO 97 Cb 0.49 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.43 1dnl n PRO 97 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1dnl s ARG 98 N -2.57 4.28 0.18 0.54 0.52 -1.26 -0.18 118.95 120.46 1dnl s ARG 98 Ca 0.19 1.68 0.02 0.00 -0.52 0.00 0.00 55.73 57.10 1dnl s ARG 98 Cb 0.14 -3.68 -0.05 0.00 0.52 0.00 0.00 34.95 31.88 1dnl s ARG 98 CO 0.31 -0.61 0.00 0.14 0.02 0.00 0.00 175.30 175.17 1dnl s VAL 99 N 2.98 0.71 0.01 3.52 -7.23 -0.28 -4.54 120.40 115.58 1dnl s VAL 99 Ca 0.56 -1.99 0.05 0.00 -1.81 0.00 0.00 61.98 58.78 1dnl s VAL 99 Cb -0.23 -2.14 -0.01 0.00 0.56 0.00 0.00 36.38 34.55 1dnl s VAL 99 CO 0.18 -0.46 -0.14 -0.55 -0.31 0.00 0.00 175.10 173.82 1dnl s SER 100 N -3.19 1.67 -0.05 4.85 0.15 -0.92 -2.44 113.70 113.78 1dnl s SER 100 Ca 0.24 -0.33 0.05 0.00 0.70 0.00 0.00 55.95 56.61 1dnl s SER 100 Cb 0.06 -0.16 -0.00 0.00 -1.71 0.00 0.00 66.02 64.21 1dnl s SER 100 CO 0.04 0.13 -0.20 -0.76 1.20 0.00 0.00 173.24 173.66 1dnl s LEU 101 N -0.61 1.96 -0.04 3.45 1.43 0.20 -0.54 118.68 124.52 1dnl s LEU 101 Ca 0.04 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.75 1dnl s LEU 101 Cb -0.06 -1.10 0.02 0.00 0.03 0.00 0.00 46.19 45.08 1dnl s LEU 101 CO 0.00 0.18 -0.04 -0.22 0.23 0.00 0.00 176.35 176.49 1dnl s LEU 102 N 0.00 1.32 -0.43 1.79 0.20 -0.34 -0.51 118.68 120.71 1dnl s LEU 102 Ca -0.04 -0.13 -0.18 0.00 0.69 0.00 0.00 54.13 54.47 1dnl s LEU 102 Cb -0.12 -0.45 0.03 0.00 -0.43 0.00 0.00 46.19 45.21 1dnl s LEU 102 CO 0.03 -0.06 0.46 -0.36 -0.29 0.00 0.00 176.35 176.13 1dnl s PHE 103 N 0.93 3.16 -1.26 5.38 0.40 -0.06 -0.12 117.98 126.40 1dnl s PHE 103 Ca -0.11 -0.40 -0.17 0.00 -0.60 0.00 0.00 56.93 55.65 1dnl s PHE 103 Cb -0.14 -2.98 -0.01 0.00 0.51 0.00 0.00 43.02 40.39 1dnl s PHE 103 CO 0.00 -0.74 2.10 -0.35 0.70 0.00 0.00 175.22 176.93 1dnl n PRO 104 N 5.66 2.51 -1.24 0.24 -0.04 -1.26 -3.29 135.00 137.58 1dnl n PRO 104 Ca -0.07 -2.47 -0.28 0.00 -0.04 0.00 0.00 63.50 60.64 1dnl n PRO 104 Cb 0.47 -3.23 0.13 0.00 -0.04 0.00 0.00 33.50 30.83 1dnl n PRO 104 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1dnl n TRP 105 N 6.94 3.04 0.32 0.54 8.01 -1.10 -4.63 117.44 130.55 1dnl n TRP 105 Ca 0.51 -2.30 0.20 0.00 -1.31 0.00 0.00 57.50 54.60 1dnl n TRP 105 Cb 0.40 -1.14 1.05 0.00 -2.01 0.00 0.00 31.31 29.61 1dnl n TRP 105 CO 0.00 0.00 0.00 1.12 -1.01 0.00 0.00 177.69 177.80 1dnl h HIS 106 N 1.39 0.00 0.00 -5.99 2.07 -1.70 -0.40 115.15 110.52 1dnl h HIS 106 Ca 0.60 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 58.11 1dnl h HIS 106 Cb 1.95 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.93 1dnl h HIS 106 CO 1.48 0.01 -0.07 1.79 -3.07 0.00 0.00 177.93 178.07 1dnl h THR 107 N 0.00 0.45 -0.40 6.12 1.35 -1.86 0.21 112.91 118.78 1dnl h THR 107 Ca -0.00 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 1dnl h THR 107 Cb 0.12 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 1dnl h THR 107 CO 0.00 0.07 0.00 0.18 -0.25 0.00 0.00 175.52 175.52 1dnl n LEU 108 N -3.58 4.04 -3.61 3.87 4.77 -0.23 -4.96 117.00 117.30 1dnl n LEU 108 Ca -0.02 -2.64 -0.23 0.00 -0.03 0.00 0.00 56.01 53.09 1dnl n LEU 108 Cb 0.18 -0.49 0.07 0.00 -2.33 0.00 0.00 43.42 40.85 1dnl n LEU 108 CO 0.28 0.71 0.16 -0.62 -1.33 0.00 0.00 177.39 176.59 1dnl n GLU 109 N 0.21 -6.98 -3.94 3.23 1.02 0.75 -4.85 120.64 110.08 1dnl n GLU 109 Ca 0.21 0.78 -0.09 0.00 -0.02 0.00 0.00 57.16 58.04 1dnl n GLU 109 Cb 0.81 -5.76 -0.09 0.00 -0.02 0.00 0.00 31.44 26.38 1dnl n GLU 109 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1dnl s ARG 110 N -6.06 0.64 -0.04 3.49 0.52 -0.80 -0.70 118.95 116.00 1dnl s ARG 110 Ca 0.38 -0.87 -0.11 0.00 -0.52 0.00 0.00 55.73 54.60 1dnl s ARG 110 Cb -0.17 0.25 0.02 0.00 0.52 0.00 0.00 34.95 35.56 1dnl s ARG 110 CO 0.75 -0.16 0.25 -0.65 0.02 0.00 0.00 175.30 175.51 1dnl s GLN 111 N -3.07 0.51 0.40 3.54 -0.21 -0.76 -2.05 119.66 118.02 1dnl s GLN 111 Ca -0.01 -0.07 0.05 0.00 0.02 0.00 0.00 55.36 55.35 1dnl s GLN 111 Cb 0.02 0.22 -0.02 0.00 1.00 0.00 0.00 33.01 34.23 1dnl s GLN 111 CO -0.07 -0.12 0.19 0.08 -2.12 0.00 0.00 175.29 173.25 1dnl s VAL 112 N -0.88 0.36 -0.29 1.09 1.01 -1.21 -1.31 120.40 119.17 1dnl s VAL 112 Ca -0.10 -2.00 -0.20 0.00 0.00 0.00 0.00 61.98 59.69 1dnl s VAL 112 Cb -0.05 -2.33 0.18 0.00 0.00 0.00 0.00 36.38 34.18 1dnl s VAL 112 CO 0.02 0.00 1.22 -0.69 0.00 0.00 0.00 175.10 175.66 1dnl s VAL 114 N -3.23 0.00 -0.11 2.92 1.01 0.33 -0.88 120.40 120.43 1dnl s VAL 114 Ca 0.27 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.27 1dnl s VAL 114 Cb 0.01 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 1dnl s VAL 114 CO 0.19 0.00 -0.18 -0.63 0.00 0.00 0.00 175.10 174.48 1dnl s ILE 115 N 0.73 2.60 0.04 2.22 -1.09 -0.15 -0.63 121.20 124.92 1dnl s ILE 115 Ca -0.03 -0.83 -0.08 0.00 -2.23 0.00 0.00 60.65 57.48 1dnl s ILE 115 Cb -0.04 -2.05 0.03 0.00 -1.58 0.00 0.00 42.46 38.82 1dnl s ILE 115 CO -0.12 0.54 0.40 0.61 -1.23 0.00 0.00 174.94 175.14 1dnl n GLY 116 N 3.50 0.86 3.68 6.18 0.00 -1.02 -0.77 105.19 117.62 1dnl n GLY 116 Ca -0.18 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.52 1dnl n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dnl s LYS 117 N -2.01 3.25 -0.10 1.61 -0.14 -1.26 -1.12 119.74 119.96 1dnl s LYS 117 Ca 0.09 -0.38 -0.19 0.00 -1.36 0.00 0.00 55.97 54.13 1dnl s LYS 117 Cb -0.01 -2.91 -0.04 0.00 -1.68 0.00 0.00 37.83 33.19 1dnl s LYS 117 CO 0.01 0.60 0.50 0.00 -0.76 0.00 0.00 175.35 175.71 1dnl s ALA 118 N -0.60 3.47 0.03 5.17 0.00 0.75 -1.26 121.76 129.32 1dnl s ALA 118 Ca 0.10 -0.14 0.06 0.00 0.00 0.00 0.00 51.96 51.98 1dnl s ALA 118 Cb -0.12 -2.67 -0.02 0.00 0.00 0.00 0.00 23.12 20.31 1dnl s ALA 118 CO 0.02 0.02 -0.17 -1.83 0.00 0.00 0.00 175.76 173.80 1dnl s GLU 119 N 0.53 1.22 0.43 0.00 -1.05 -0.41 -4.84 118.70 114.57 1dnl s GLU 119 Ca 0.27 -0.80 -0.24 0.00 -0.15 0.00 0.00 54.97 54.05 1dnl s GLU 119 Cb -0.16 -1.26 -0.08 0.00 -0.44 0.00 0.00 34.13 32.19 1dnl s GLU 119 CO 0.12 0.33 1.19 1.03 0.95 0.00 0.00 175.26 178.87 1dnl s ARG 120 N -0.99 3.89 0.50 -4.83 1.81 -1.26 -0.60 118.95 117.46 1dnl s ARG 120 Ca 0.05 1.85 -0.07 0.00 -1.72 0.00 0.00 55.73 55.84 1dnl s ARG 120 Cb -0.08 -2.56 -0.04 0.00 -0.45 0.00 0.00 34.95 31.82 1dnl s ARG 120 CO 0.01 -0.46 0.84 -0.51 -0.68 0.00 0.00 175.30 174.49 1dnl s LEU 121 N -2.75 3.58 0.70 2.53 1.43 -0.36 -4.83 118.68 118.99 1dnl s LEU 121 Ca 0.60 1.07 -0.11 0.00 -1.03 0.00 0.00 54.13 54.66 1dnl s LEU 121 Cb -0.31 -4.03 0.01 0.00 0.03 0.00 0.00 46.19 41.89 1dnl s LEU 121 CO 0.38 -0.61 1.09 -0.94 0.23 0.00 0.00 176.35 176.50 1dnl s SER 122 N -3.95 5.50 0.39 2.29 1.04 -1.26 -4.76 113.70 112.95 1dnl s SER 122 Ca 0.50 1.14 0.16 0.00 0.48 0.00 0.00 55.95 58.23 1dnl s SER 122 Cb -0.10 -1.96 0.80 0.00 0.10 0.00 0.00 66.02 64.86 1dnl s SER 122 CO 0.44 -1.31 1.84 0.71 0.98 0.00 0.00 173.24 175.91 1dnl h THR 123 N -0.63 1.12 -0.31 2.02 1.35 -1.98 -1.66 112.91 112.81 1dnl h THR 123 Ca -0.45 -1.24 0.03 0.00 -0.55 0.00 0.00 66.41 64.21 1dnl h THR 123 Cb 1.25 1.69 -0.03 0.00 -1.73 0.00 0.00 68.15 69.33 1dnl h THR 123 CO 0.64 0.34 0.12 0.25 -0.25 0.00 0.00 175.52 176.62 1dnl h LEU 124 N 0.00 0.15 -0.20 3.87 5.85 -2.05 -2.64 115.31 120.30 1dnl h LEU 124 Ca -0.00 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1dnl h LEU 124 Cb 0.66 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 1dnl h LEU 124 CO 0.04 0.12 0.04 -0.33 -0.34 0.00 0.00 178.44 177.98 1dnl h GLU 125 N 0.27 0.32 -0.78 1.25 5.08 -1.84 -1.86 114.58 117.02 1dnl h GLU 125 Ca 0.14 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1dnl h GLU 125 Cb 0.09 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1dnl h GLU 125 CO -0.13 0.46 0.00 0.28 -1.00 0.00 0.00 179.01 178.63 1dnl n VAL 126 N -4.76 0.02 0.00 3.13 0.31 -0.66 -1.82 118.33 114.55 1dnl n VAL 126 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1dnl n VAL 126 Cb 0.18 -0.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 1dnl n VAL 126 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1dnl n LYS 128 N 0.67 0.00 -0.12 5.55 4.81 -0.70 -0.63 118.16 127.74 1dnl n LYS 128 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 1dnl n LYS 128 Cb 0.02 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.04 1dnl n LYS 128 CO 0.00 0.00 0.00 -0.92 1.17 0.00 0.00 177.40 177.65 1dnl h TYR 129 N 0.00 0.65 -0.77 5.64 5.03 -1.63 -3.12 116.97 122.77 1dnl h TYR 129 Ca 0.00 -0.10 0.08 0.00 2.58 0.00 0.00 58.73 61.29 1dnl h TYR 129 Cb 0.00 -0.17 -0.07 0.00 1.55 0.00 0.00 36.73 38.04 1dnl h TYR 129 CO 0.00 0.69 0.43 0.35 -1.32 0.00 0.00 178.16 178.31 1dnl h PHE 130 N 0.42 0.78 -0.05 -3.82 3.57 -1.13 -1.49 116.94 115.23 1dnl h PHE 130 Ca 0.10 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1dnl h PHE 130 Cb 0.41 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.92 1dnl h PHE 130 CO 0.03 0.33 0.00 0.72 -2.23 0.00 0.00 178.31 177.16 1dnl n HIS 131 N -4.77 0.06 0.68 0.41 8.25 -1.21 -3.15 115.22 115.50 1dnl n HIS 131 Ca 0.12 -0.03 0.08 0.00 -0.26 0.00 0.00 57.72 57.63 1dnl n HIS 131 Cb 0.24 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.40 1dnl n HIS 131 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1dnl n SER 132 N -0.48 2.14 -4.89 0.41 3.41 -0.57 -4.98 113.62 108.66 1dnl n SER 132 Ca 0.13 -1.57 -0.26 0.00 -0.26 0.00 0.00 58.87 56.91 1dnl n SER 132 Cb 0.12 0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 64.16 1dnl n SER 132 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dnl s ARG 133 N -1.50 3.23 0.37 4.33 1.70 -1.19 -5.06 118.95 120.84 1dnl s ARG 133 Ca 0.17 -0.72 -0.23 0.00 -0.47 0.00 0.00 55.73 54.48 1dnl s ARG 133 Cb 0.13 -2.83 -0.14 0.00 -0.57 0.00 0.00 34.95 31.53 1dnl s ARG 133 CO 0.26 0.50 0.42 -2.30 -1.08 0.00 0.00 175.30 173.09 1dnl n PRO 134 N -0.55 0.33 0.23 3.89 -0.02 -1.26 -4.74 135.00 132.87 1dnl n PRO 134 Ca -0.08 0.12 0.06 0.00 -2.02 0.00 0.00 63.50 61.59 1dnl n PRO 134 Cb 0.55 -1.27 0.52 0.00 -0.02 0.00 0.00 33.50 33.28 1dnl n PRO 134 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dnl h ARG 135 N 0.74 0.00 0.00 -0.52 -0.00 -1.97 -2.28 114.38 110.35 1dnl h ARG 135 Ca -0.37 0.00 -0.06 0.00 -0.50 0.00 0.00 59.98 59.05 1dnl h ARG 135 Cb 1.42 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.38 1dnl h ARG 135 CO 0.51 0.19 -0.30 -0.44 0.00 0.00 0.00 179.97 179.93 1dnl h ASP 136 N 0.00 0.00 0.85 7.04 3.32 -1.99 -1.52 116.42 124.11 1dnl h ASP 136 Ca -0.00 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.81 1dnl h ASP 136 Cb 0.35 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1dnl h ASP 136 CO 0.02 0.30 -1.12 0.77 -1.72 0.00 0.00 179.24 177.50 1dnl h SER 137 N 0.00 0.14 -0.65 6.45 4.64 -1.77 -2.05 113.55 120.32 1dnl h SER 137 Ca -0.00 -0.16 -0.09 0.00 -0.47 0.00 0.00 61.79 61.07 1dnl h SER 137 Cb 0.80 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.82 1dnl h SER 137 CO 0.04 1.12 0.07 1.56 -0.87 0.00 0.00 176.83 178.75 1dnl h GLN 138 N 0.03 1.09 -0.36 4.77 4.20 -1.06 -2.66 115.11 121.11 1dnl h GLN 138 Ca -0.06 -0.31 -0.14 0.00 0.06 0.00 0.00 58.65 58.19 1dnl h GLN 138 Cb 1.85 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 29.50 1dnl h GLN 138 CO 0.15 1.02 -0.32 0.82 -0.67 0.00 0.00 178.83 179.84 1dnl h ILE 139 N 1.01 1.28 0.00 2.54 2.04 -1.27 -3.15 117.51 119.96 1dnl h ILE 139 Ca 0.19 -1.49 -0.03 0.00 1.00 0.00 0.00 64.86 64.53 1dnl h ILE 139 Cb 0.48 1.42 -0.00 0.00 -0.74 0.00 0.00 36.82 37.98 1dnl h ILE 139 CO 0.02 0.49 -0.15 1.23 0.00 0.00 0.00 178.15 179.75 1dnl h GLY 140 N 0.65 0.00 2.00 5.37 0.00 -1.24 -2.44 103.07 107.41 1dnl h GLY 140 Ca 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 1dnl h GLY 140 CO 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 176.54 176.61 1dnl h ALA 141 N 1.85 1.61 0.00 3.60 0.00 -1.43 -2.25 119.26 122.65 1dnl h ALA 141 Ca -0.00 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 1dnl h ALA 141 Cb 0.32 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1dnl h ALA 141 CO 0.02 0.02 -0.85 -1.49 0.00 0.00 0.00 179.25 176.95 1dnl h TRP 142 N 0.00 0.00 0.39 0.00 4.06 -1.58 -3.40 115.95 115.42 1dnl h TRP 142 Ca -0.00 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 1dnl h TRP 142 Cb 0.04 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.17 1dnl h TRP 142 CO 0.00 0.85 -0.48 0.28 -3.56 0.00 0.00 178.44 175.53 1dnl h VAL 143 N 0.00 0.00 -2.83 1.49 2.07 -1.49 -3.45 116.25 112.03 1dnl h VAL 143 Ca -0.01 0.00 -0.64 0.00 0.82 0.00 0.00 66.70 66.87 1dnl h VAL 143 Cb 1.58 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 31.27 1dnl h VAL 143 CO 0.11 0.00 -0.42 -0.55 0.02 0.00 0.00 177.57 176.73 1dnl s SER 144 N -4.26 6.44 -1.32 0.57 0.15 -1.26 -4.93 113.70 109.10 1dnl s SER 144 Ca -0.16 0.53 -0.10 0.00 0.70 0.00 0.00 55.95 56.92 1dnl s SER 144 Cb 0.04 -2.11 0.14 0.00 -1.71 0.00 0.00 66.02 62.38 1dnl s SER 144 CO 0.56 0.34 1.99 1.17 1.20 0.00 0.00 173.24 178.50 1dnl n LYS 145 N 2.26 3.60 -0.96 5.44 4.81 -1.26 -4.96 118.16 127.10 1dnl n LYS 145 Ca -0.18 -3.36 -0.37 0.00 -0.87 0.00 0.00 58.31 53.52 1dnl n LYS 145 Cb 0.54 -2.95 -0.05 0.00 0.02 0.00 0.00 35.03 32.59 1dnl n LYS 145 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1dnl n GLN 146 N 3.97 0.00 0.00 1.64 7.27 -1.26 -2.01 117.38 127.00 1dnl n GLN 146 Ca 0.44 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.51 1dnl n GLN 146 Cb 0.35 -0.90 0.00 0.00 2.41 0.00 0.00 30.24 32.10 1dnl n GLN 146 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1dnl n SER 147 N 1.43 0.00 -4.81 1.69 7.64 -1.26 -3.98 113.62 114.32 1dnl n SER 147 Ca 0.14 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.69 1dnl n SER 147 Cb 0.02 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.20 1dnl n SER 147 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1dnl s SER 148 N -2.54 6.26 0.14 6.43 1.04 -0.85 -4.92 113.70 119.25 1dnl s SER 148 Ca 0.00 1.77 -0.30 0.00 0.48 0.00 0.00 55.95 57.90 1dnl s SER 148 Cb 0.00 -2.53 -0.07 0.00 0.10 0.00 0.00 66.02 63.51 1dnl s SER 148 CO 0.00 -0.84 1.21 -0.13 0.98 0.00 0.00 173.24 174.47 1dnl s ARG 149 N -3.77 4.46 0.06 4.02 0.52 -1.26 -5.02 118.95 117.95 1dnl s ARG 149 Ca 0.63 1.86 0.07 0.00 -0.52 0.00 0.00 55.73 57.77 1dnl s ARG 149 Cb -0.14 -3.27 -0.03 0.00 0.52 0.00 0.00 34.95 32.03 1dnl s ARG 149 CO 0.29 -0.17 -0.19 0.96 0.02 0.00 0.00 175.30 176.21 1dnl s ILE 150 N 0.39 1.55 -0.56 1.52 -4.36 -1.26 -5.06 121.20 113.42 1dnl s ILE 150 Ca 0.56 -1.25 0.25 0.00 -0.26 0.00 0.00 60.65 59.95 1dnl s ILE 150 Cb -0.32 -1.38 0.31 0.00 1.25 0.00 0.00 42.46 42.32 1dnl s ILE 150 CO 0.34 0.09 1.73 0.28 0.24 0.00 0.00 174.94 177.62 1dnl h SER 151 N 4.67 0.00 -4.71 4.36 0.02 -2.05 -3.47 113.55 112.38 1dnl h SER 151 Ca -0.42 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.54 1dnl h SER 151 Cb 1.17 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.53 1dnl h SER 151 CO 0.43 0.00 0.34 0.00 -1.14 0.00 0.00 176.83 176.45 1dnl s ALA 152 N -3.19 -1.79 0.39 3.77 0.00 -1.26 -5.02 121.76 114.66 1dnl s ALA 152 Ca 0.08 1.19 0.07 0.00 0.00 0.00 0.00 51.96 53.30 1dnl s ALA 152 Cb 0.10 0.05 0.79 0.00 0.00 0.00 0.00 23.12 24.06 1dnl s ALA 152 CO 0.60 -0.48 1.98 -0.09 0.00 0.00 0.00 175.76 177.76 1dnl h ARG 153 N 2.54 0.43 -0.96 0.00 2.43 -2.03 -2.90 114.38 113.89 1dnl h ARG 153 Ca -0.25 -0.06 0.26 0.00 -0.81 0.00 0.00 59.98 59.12 1dnl h ARG 153 Cb 1.19 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 30.61 1dnl h ARG 153 CO 0.35 0.39 0.66 0.78 -1.51 0.00 0.00 179.97 180.65 1dnl h GLY 154 N 0.64 0.42 0.72 2.80 0.00 -1.99 -0.10 103.07 105.57 1dnl h GLY 154 Ca 0.10 -0.08 0.06 0.00 0.00 0.00 0.00 47.33 47.41 1dnl h GLY 154 CO -0.00 -0.02 0.53 -2.22 0.00 0.00 0.00 176.54 174.82 1dnl h ILE 155 N 0.17 1.04 -0.19 2.60 2.04 -1.94 0.41 117.51 121.65 1dnl h ILE 155 Ca 0.48 -0.33 -0.07 0.00 1.00 0.00 0.00 64.86 65.94 1dnl h ILE 155 Cb 1.61 -0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1dnl h ILE 155 CO -0.10 0.18 -0.17 -0.07 0.00 0.00 0.00 178.15 177.99 1dnl h LEU 156 N 0.97 0.47 -0.51 1.44 3.38 -1.21 -2.75 115.31 117.10 1dnl h LEU 156 Ca 0.37 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1dnl h LEU 156 Cb 0.17 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1dnl h LEU 156 CO -0.17 0.84 0.29 -0.33 0.09 0.00 0.00 178.44 179.16 1dnl h GLU 157 N 0.11 0.71 -0.23 1.13 5.08 -1.20 -0.60 114.58 119.58 1dnl h GLU 157 Ca 0.03 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1dnl h GLU 157 Cb 0.70 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1dnl h GLU 157 CO 0.04 0.54 0.08 0.77 -1.00 0.00 0.00 179.01 179.45 1dnl h SER 158 N 0.68 0.32 -0.91 1.42 0.02 -0.98 -2.00 113.55 112.10 1dnl h SER 158 Ca 0.18 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1dnl h SER 158 Cb 0.03 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.45 1dnl h SER 158 CO -0.03 0.41 0.50 0.50 -1.14 0.00 0.00 176.83 177.07 1dnl h LYS 159 N 0.20 1.26 -0.33 3.45 3.11 -1.33 -1.33 116.57 121.60 1dnl h LYS 159 Ca 0.07 -0.15 -0.01 0.00 -2.81 0.00 0.00 60.65 57.76 1dnl h LYS 159 Cb 0.20 -0.25 -0.02 0.00 -1.00 0.00 0.00 32.23 31.17 1dnl h LYS 159 CO -0.00 0.92 0.18 0.35 -2.81 0.00 0.00 179.45 178.08 1dnl h PHE 160 N 1.27 0.46 -0.45 1.91 3.57 -0.90 -0.32 116.94 122.48 1dnl h PHE 160 Ca 0.32 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.82 1dnl h PHE 160 Cb 0.02 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 1dnl h PHE 160 CO 0.01 0.38 0.29 -0.07 -2.23 0.00 0.00 178.31 176.68 1dnl h LEU 161 N 0.41 0.49 0.11 0.59 3.38 -1.00 0.26 115.31 119.54 1dnl h LEU 161 Ca 0.12 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1dnl h LEU 161 Cb 0.07 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1dnl h LEU 161 CO -0.02 0.35 -0.13 -0.08 0.09 0.00 0.00 178.44 178.65 1dnl h GLU 162 N 0.58 -0.26 -0.49 1.13 4.81 -0.97 -2.68 114.58 116.71 1dnl h GLU 162 Ca 0.17 0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.32 1dnl h GLU 162 Cb -0.04 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1dnl h GLU 162 CO -0.05 -0.18 -0.08 -0.07 -0.73 0.00 0.00 179.01 177.91 1dnl h LEU 163 N -0.27 0.86 -0.83 1.64 3.38 -0.89 0.34 115.31 119.53 1dnl h LEU 163 Ca 0.01 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1dnl h LEU 163 Cb 0.27 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1dnl h LEU 163 CO -0.05 0.96 0.00 1.17 0.09 0.00 0.00 178.44 180.61 1dnl n LYS 164 N -4.17 0.12 -0.03 1.13 4.81 0.89 -1.82 118.16 119.10 1dnl n LYS 164 Ca 0.02 0.50 -0.04 0.00 -0.87 0.00 0.00 58.31 57.92 1dnl n LYS 164 Cb 0.36 -1.82 -0.03 0.00 0.02 0.00 0.00 35.03 33.56 1dnl n LYS 164 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1dnl n GLN 165 N -2.06 0.90 0.23 1.64 -0.00 -1.01 -3.93 117.38 113.15 1dnl n GLN 165 Ca 0.00 0.03 0.06 0.00 -0.00 0.00 0.00 57.00 57.10 1dnl n GLN 165 Cb 0.11 -1.13 0.56 0.00 -0.00 0.00 0.00 30.24 29.78 1dnl n GLN 165 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.06 176.84 1dnl h LYS 166 N 0.00 0.03 0.14 2.61 3.64 -0.23 -2.65 116.57 120.10 1dnl h LYS 166 Ca -0.14 -0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 58.88 1dnl h LYS 166 Cb 1.25 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 1dnl h LYS 166 CO -0.02 0.11 -1.87 0.74 -2.27 0.00 0.00 179.45 176.14 1dnl h PHE 167 N 0.03 0.54 0.00 1.91 0.05 -1.58 -3.46 116.94 114.42 1dnl h PHE 167 Ca 0.01 -0.40 0.00 0.00 3.82 0.00 0.00 57.97 61.40 1dnl h PHE 167 Cb 0.16 -0.02 0.00 0.00 2.00 0.00 0.00 35.95 38.09 1dnl h PHE 167 CO 0.00 1.74 0.00 0.94 -0.18 0.00 0.00 178.31 180.81 1dnl n GLN 168 N -3.57 0.00 -1.95 1.51 0.00 -1.00 -1.50 117.38 110.87 1dnl n GLN 168 Ca -0.29 0.00 -0.07 0.00 -0.00 0.00 0.00 57.00 56.64 1dnl n GLN 168 Cb 1.04 -3.42 -0.01 0.00 0.00 0.00 0.00 30.24 27.84 1dnl n GLN 168 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1dnl n GLN 169 N -2.00 -0.55 -0.33 3.69 7.27 -1.26 -4.95 117.38 119.26 1dnl n GLN 169 Ca 0.00 0.42 0.13 0.00 0.07 0.00 0.00 57.00 57.63 1dnl n GLN 169 Cb 0.00 -4.30 0.28 0.00 2.41 0.00 0.00 30.24 28.63 1dnl n GLN 169 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 1dnl h GLY 170 N 0.00 1.22 0.00 1.69 0.00 -1.66 -3.37 103.07 100.95 1dnl h GLY 170 Ca -0.16 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1dnl h GLY 170 CO 0.20 -0.47 0.00 -2.21 0.00 0.00 0.00 176.54 174.06 1dnl n GLU 171 N -5.44 0.00 -1.96 4.80 2.13 -1.26 -5.12 120.64 113.79 1dnl n GLU 171 Ca 0.22 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.04 1dnl n GLU 171 Cb 0.72 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.43 1dnl n GLU 171 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 1dnl n VAL 172 N 0.00 -0.20 -1.27 6.31 3.14 -1.26 -4.93 118.33 120.11 1dnl n VAL 172 Ca 0.00 0.00 -0.31 0.00 -2.96 0.00 0.00 64.34 61.07 1dnl n VAL 172 Cb 0.08 -1.51 0.09 0.00 -1.06 0.00 0.00 33.84 31.44 1dnl n VAL 172 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1dnl s PRO 173 N 0.00 2.23 -0.09 1.45 0.04 -1.26 -5.00 135.00 132.37 1dnl s PRO 173 Ca 0.00 1.21 -0.30 0.00 0.04 0.00 0.00 61.00 61.96 1dnl s PRO 173 Cb 0.00 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.63 1dnl s PRO 173 CO 0.00 -1.67 1.06 -1.17 0.04 0.00 0.00 177.00 175.26 1dnl s LEU 174 N -5.87 4.26 0.43 -3.56 2.96 -1.26 -5.01 118.68 110.62 1dnl s LEU 174 Ca 0.62 1.61 -0.25 0.00 -0.22 0.00 0.00 54.13 55.89 1dnl s LEU 174 Cb -0.18 -3.56 -0.08 0.00 0.50 0.00 0.00 46.19 42.87 1dnl s LEU 174 CO 0.55 -0.48 1.26 -2.84 -1.32 0.00 0.00 176.35 173.51 1dnl s PRO 175 N 2.04 3.87 0.55 0.98 0.02 -1.26 -4.89 135.00 136.31 1dnl s PRO 175 Ca 0.50 2.03 0.33 0.00 0.02 0.00 0.00 61.00 63.88 1dnl s PRO 175 Cb -0.20 -2.63 1.47 0.00 0.02 0.00 0.00 34.50 33.15 1dnl s PRO 175 CO 0.19 -0.53 2.03 0.66 -0.33 0.00 0.00 177.00 179.02 1dnl h SER 176 N 2.45 0.00 -0.46 2.53 4.64 -2.00 -2.62 113.55 118.08 1dnl h SER 176 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1dnl h SER 176 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1dnl h SER 176 CO 0.62 0.06 0.00 2.22 -0.87 0.00 0.00 176.83 178.85 1dnl n PHE 177 N -3.22 0.88 -4.12 4.77 1.16 -1.26 -4.86 117.46 110.81 1dnl n PHE 177 Ca -0.00 -0.38 -0.35 0.00 -1.87 0.00 0.00 57.45 54.85 1dnl n PHE 177 Cb 0.28 -0.11 -0.10 0.00 -1.61 0.00 0.00 39.48 37.94 1dnl n PHE 177 CO 0.00 0.00 0.00 -0.46 -1.87 0.00 0.00 176.76 174.43 1dnl s TRP 178 N -1.59 3.24 0.00 2.97 -0.11 -0.99 0.08 118.94 122.55 1dnl s TRP 178 Ca 0.34 0.10 0.00 0.00 1.22 0.00 0.00 56.10 57.76 1dnl s TRP 178 Cb 0.20 -1.99 0.00 0.00 -1.50 0.00 0.00 33.47 30.19 1dnl s TRP 178 CO 0.19 0.26 0.00 0.41 -4.62 0.00 0.00 176.95 173.19 1dnl n GLY 179 N 3.07 3.14 3.39 5.86 0.00 -0.54 -4.89 105.19 115.22 1dnl n GLY 179 Ca -0.17 -1.09 -0.10 0.00 0.00 0.00 0.00 46.02 44.66 1dnl n GLY 179 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dnl s GLY 180 N -0.52 0.01 0.03 -0.02 0.00 -1.26 -1.25 107.32 104.31 1dnl s GLY 180 Ca 0.00 -0.37 0.04 0.00 0.00 0.00 0.00 44.72 44.39 1dnl s GLY 180 CO 0.00 -0.46 -0.12 -1.36 0.00 0.00 0.00 173.10 171.16 1dnl s PHE 181 N -3.88 1.02 -0.18 1.90 0.40 -0.36 -1.22 117.98 115.66 1dnl s PHE 181 Ca 0.09 -0.32 -0.02 0.00 -0.60 0.00 0.00 56.93 56.09 1dnl s PHE 181 Cb 0.01 -0.62 -0.01 0.00 0.51 0.00 0.00 43.02 42.92 1dnl s PHE 181 CO -0.05 0.00 -0.10 0.50 0.70 0.00 0.00 175.22 176.27 1dnl s ARG 182 N -0.94 3.31 -0.27 0.44 3.52 0.23 -2.05 118.95 123.19 1dnl s ARG 182 Ca 0.00 -0.68 -0.13 0.00 -0.13 0.00 0.00 55.73 54.79 1dnl s ARG 182 Cb -0.07 -2.79 -0.04 0.00 -1.56 0.00 0.00 34.95 30.49 1dnl s ARG 182 CO 0.01 -0.05 0.28 0.08 -0.81 0.00 0.00 175.30 174.81 1dnl s VAL 183 N 1.02 5.25 0.78 7.11 1.01 -1.26 -1.29 120.40 133.02 1dnl s VAL 183 Ca -0.01 0.38 -0.12 0.00 0.00 0.00 0.00 61.98 62.23 1dnl s VAL 183 Cb -0.15 -3.61 0.06 0.00 0.00 0.00 0.00 36.38 32.68 1dnl s VAL 183 CO -0.02 0.21 1.12 -0.94 0.00 0.00 0.00 175.10 175.47 1dnl s SER 184 N 1.63 4.25 -1.01 3.32 1.04 -0.39 -4.18 113.70 118.37 1dnl s SER 184 Ca 0.11 1.98 -0.11 0.00 0.48 0.00 0.00 55.95 58.42 1dnl s SER 184 Cb -0.16 -2.54 0.26 0.00 0.10 0.00 0.00 66.02 63.68 1dnl s SER 184 CO 0.10 -2.21 0.99 -0.76 0.98 0.00 0.00 173.24 172.34 1dnl s LEU 185 N -5.80 6.47 -0.03 2.42 1.43 -1.26 -3.62 118.68 118.29 1dnl s LEU 185 Ca 0.65 -3.30 -0.04 0.00 -1.03 0.00 0.00 54.13 50.41 1dnl s LEU 185 Cb -0.20 -2.20 -0.28 0.00 0.03 0.00 0.00 46.19 43.54 1dnl s LEU 185 CO 0.53 -0.38 0.72 -0.33 0.23 0.00 0.00 176.35 177.12 1dnl h GLU 186 N 7.02 0.26 -3.15 1.70 5.08 -1.33 -3.43 114.58 120.73 1dnl h GLU 186 Ca 0.15 -0.45 -0.17 0.00 -1.00 0.00 0.00 59.36 57.90 1dnl h GLU 186 Cb 0.93 0.17 -0.26 0.00 0.50 0.00 0.00 28.75 30.09 1dnl h GLU 186 CO 0.92 1.12 -0.43 -0.65 -1.00 0.00 0.00 179.01 178.97 1dnl s GLN 187 N -2.60 0.29 -0.08 2.33 -0.21 -0.91 -0.97 119.66 117.51 1dnl s GLN 187 Ca -0.12 0.32 -0.01 0.00 0.02 0.00 0.00 55.36 55.57 1dnl s GLN 187 Cb 0.07 0.14 0.03 0.00 1.00 0.00 0.00 33.01 34.24 1dnl s GLN 187 CO 0.84 -0.04 -0.02 0.42 -2.12 0.00 0.00 175.29 174.37 1dnl s ILE 188 N 0.09 0.57 -0.10 1.08 1.01 -0.30 -0.98 121.20 122.58 1dnl s ILE 188 Ca -0.00 -0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.66 1dnl s ILE 188 Cb -0.02 -0.68 -0.02 0.00 0.01 0.00 0.00 42.46 41.76 1dnl s ILE 188 CO 0.00 0.29 -0.16 -0.70 0.00 0.00 0.00 174.94 174.37 1dnl s GLU 189 N 1.82 3.01 -0.06 2.79 2.12 -1.26 -0.63 118.70 126.49 1dnl s GLU 189 Ca 0.04 -0.74 0.02 0.00 0.36 0.00 0.00 54.97 54.65 1dnl s GLU 189 Cb -0.12 -2.47 -0.03 0.00 0.26 0.00 0.00 34.13 31.77 1dnl s GLU 189 CO -0.06 0.34 -0.11 -0.06 -0.54 0.00 0.00 175.26 174.83 1dnl s PHE 190 N 0.00 2.79 -0.05 5.30 0.40 -0.01 -4.19 117.98 122.23 1dnl s PHE 190 Ca -0.05 -0.12 0.02 0.00 -0.60 0.00 0.00 56.93 56.18 1dnl s PHE 190 Cb -0.15 -1.67 0.01 0.00 0.51 0.00 0.00 43.02 41.72 1dnl s PHE 190 CO 0.04 0.22 -0.11 -0.46 0.70 0.00 0.00 175.22 175.61 1dnl s TRP 191 N -0.69 1.27 -0.04 0.36 -0.00 -0.42 -1.41 118.94 118.01 1dnl s TRP 191 Ca 0.10 -0.41 -0.01 0.00 -0.00 0.00 0.00 56.10 55.78 1dnl s TRP 191 Cb -0.11 -0.93 0.03 0.00 -0.00 0.00 0.00 33.47 32.46 1dnl s TRP 191 CO 0.01 -0.21 0.08 -1.14 -0.00 0.00 0.00 176.95 175.69 1dnl s GLN 192 N 0.49 0.01 0.24 5.86 0.74 -0.01 -1.83 119.66 125.17 1dnl s GLN 192 Ca -0.10 0.26 -0.30 0.00 0.05 0.00 0.00 55.36 55.28 1dnl s GLN 192 Cb -0.13 -0.22 -0.15 0.00 1.10 0.00 0.00 33.01 33.61 1dnl s GLN 192 CO 0.02 -0.17 1.04 0.41 -0.55 0.00 0.00 175.29 176.05 1dnl n GLY 193 N 4.20 -0.21 3.48 2.59 0.00 0.12 -1.37 105.19 114.00 1dnl n GLY 193 Ca -0.27 0.40 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 1dnl n GLY 193 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dnl s GLY 194 N -0.37 2.00 0.38 -0.02 0.00 -1.26 -4.69 107.32 103.35 1dnl s GLY 194 Ca 0.64 -1.99 -0.28 0.00 0.00 0.00 0.00 44.72 43.09 1dnl s GLY 194 CO 0.57 -1.93 1.49 -2.21 0.00 0.00 0.00 173.10 171.01 1dnl n GLU 195 N -0.68 2.66 -1.53 2.90 2.13 -1.26 -1.65 120.64 123.22 1dnl n GLU 195 Ca -0.05 0.93 -0.17 0.00 0.66 0.00 0.00 57.16 58.53 1dnl n GLU 195 Cb 0.63 -2.67 -0.07 0.00 0.27 0.00 0.00 31.44 29.61 1dnl n GLU 195 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1dnl n HIS 196 N 0.40 -0.03 -1.68 4.31 8.25 -1.26 -1.49 115.22 123.71 1dnl n HIS 196 Ca 0.01 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.32 1dnl n HIS 196 Cb 0.39 -2.94 -0.05 0.00 1.12 0.00 0.00 29.99 28.51 1dnl n HIS 196 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1dnl n ARG 197 N -2.51 -1.10 -3.29 -0.41 3.00 -0.66 -4.92 116.66 106.76 1dnl n ARG 197 Ca -0.17 0.95 -0.46 0.00 -0.00 0.00 0.00 57.85 58.17 1dnl n ARG 197 Cb 0.56 -5.16 -0.01 0.00 0.00 0.00 0.00 32.46 27.85 1dnl n ARG 197 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1dnl s LEU 198 N -3.73 6.41 0.46 6.15 1.43 -0.56 -4.85 118.68 123.99 1dnl s LEU 198 Ca 0.00 -3.02 -0.23 0.00 -1.03 0.00 0.00 54.13 49.86 1dnl s LEU 198 Cb 0.00 -2.23 -0.08 0.00 0.03 0.00 0.00 46.19 43.91 1dnl s LEU 198 CO 0.00 -0.50 1.12 -1.00 0.23 0.00 0.00 176.35 176.19 1dnl s HIS 199 N -0.15 2.97 -0.16 0.29 3.76 -1.26 -4.03 115.29 116.70 1dnl s HIS 199 Ca 0.25 1.57 -0.19 0.00 -0.15 0.00 0.00 55.06 56.54 1dnl s HIS 199 Cb -0.09 -3.27 -0.03 0.00 1.11 0.00 0.00 32.58 30.29 1dnl s HIS 199 CO -0.08 -1.21 0.52 -0.51 -0.85 0.00 0.00 174.74 172.61 1dnl s ASP 200 N -1.52 6.64 -0.05 1.40 1.01 -0.47 -4.42 116.67 119.25 1dnl s ASP 200 Ca 0.63 0.76 0.02 0.00 0.71 0.00 0.00 52.55 54.67 1dnl s ASP 200 Cb -0.25 -2.30 0.02 0.00 1.01 0.00 0.00 42.92 41.40 1dnl s ASP 200 CO 0.30 -0.12 -0.07 -0.13 0.21 0.00 0.00 175.17 175.36 1dnl s ARG 201 N 1.27 1.11 -0.06 8.23 0.52 -1.26 -0.83 118.95 127.94 1dnl s ARG 201 Ca 0.26 -0.22 0.02 0.00 -0.52 0.00 0.00 55.73 55.26 1dnl s ARG 201 Cb -0.15 -1.01 0.02 0.00 0.52 0.00 0.00 34.95 34.32 1dnl s ARG 201 CO 0.10 -0.03 -0.08 -0.06 0.02 0.00 0.00 175.30 175.26 1dnl s PHE 202 N 0.75 1.07 -0.22 -0.53 0.40 -0.50 -1.39 117.98 117.56 1dnl s PHE 202 Ca -0.12 -0.36 -0.05 0.00 -0.60 0.00 0.00 56.93 55.80 1dnl s PHE 202 Cb -0.14 -0.85 -0.02 0.00 0.51 0.00 0.00 43.02 42.51 1dnl s PHE 202 CO 0.01 -0.24 0.01 -1.17 0.70 0.00 0.00 175.22 174.54 1dnl s LEU 203 N 0.83 3.22 -0.23 -0.37 2.96 0.20 -0.83 118.68 124.46 1dnl s LEU 203 Ca -0.12 -0.25 -0.10 0.00 -0.22 0.00 0.00 54.13 53.44 1dnl s LEU 203 Cb -0.15 -1.83 -0.05 0.00 0.50 0.00 0.00 46.19 44.66 1dnl s LEU 203 CO 0.01 0.02 0.14 -0.31 -1.32 0.00 0.00 176.35 174.89 1dnl s TYR 204 N 1.27 3.28 -0.12 5.38 1.51 0.20 -1.59 117.35 127.27 1dnl s TYR 204 Ca 0.04 0.15 0.02 0.00 -1.01 0.00 0.00 57.07 56.27 1dnl s TYR 204 Cb -0.15 -2.25 0.01 0.00 -0.11 0.00 0.00 41.96 39.47 1dnl s TYR 204 CO 0.01 0.03 -0.18 -1.14 -1.11 0.00 0.00 175.55 173.16 1dnl s GLN 205 N 1.04 2.56 -0.01 -0.62 0.74 0.45 -1.15 119.66 122.67 1dnl s GLN 205 Ca 0.07 -0.69 -0.30 0.00 0.05 0.00 0.00 55.36 54.49 1dnl s GLN 205 Cb -0.14 -2.13 -0.06 0.00 1.10 0.00 0.00 33.01 31.79 1dnl s GLN 205 CO 0.04 -0.05 1.56 0.50 -0.55 0.00 0.00 175.29 176.79 1dnl s ARG 206 N 0.93 4.22 -0.15 1.67 6.06 -0.14 -0.96 118.95 130.58 1dnl s ARG 206 Ca -0.06 2.13 -0.05 0.00 -2.50 0.00 0.00 55.73 55.25 1dnl s ARG 206 Cb -0.15 -3.75 0.08 0.00 0.06 0.00 0.00 34.95 31.19 1dnl s ARG 206 CO -0.02 -0.73 0.30 -2.00 -2.50 0.00 0.00 175.30 170.35 1dnl s GLU 207 N 3.15 0.19 -1.21 5.12 2.12 0.58 -4.94 118.70 123.72 1dnl s GLU 207 Ca 0.70 0.75 -0.10 0.00 0.36 0.00 0.00 54.97 56.68 1dnl s GLU 207 Cb -0.34 -0.07 -0.01 0.00 0.26 0.00 0.00 34.13 33.97 1dnl s GLU 207 CO 0.28 -0.33 0.74 0.09 -0.54 0.00 0.00 175.26 175.51 1dnl n ASN 208 N 5.36 -3.69 -2.50 -1.70 3.02 -1.26 -1.97 115.26 112.52 1dnl n ASN 208 Ca -0.06 -0.92 -0.19 0.00 -0.03 0.00 0.00 54.58 53.38 1dnl n ASN 208 Cb 0.50 -3.78 -0.00 0.00 -0.61 0.00 0.00 39.78 35.89 1dnl n ASN 208 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1dnl n ASP 209 N -2.89 -5.41 -3.41 6.41 10.43 -1.26 -4.94 116.55 115.47 1dnl n ASP 209 Ca -0.18 -0.00 -0.11 0.00 2.57 0.00 0.00 54.79 57.07 1dnl n ASP 209 Cb 0.63 -4.51 -0.02 0.00 1.84 0.00 0.00 41.12 39.06 1dnl n ASP 209 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1dnl s ALA 210 N -2.95 -0.09 -0.17 2.24 0.00 -0.83 -5.16 121.76 114.80 1dnl s ALA 210 Ca 0.04 -1.03 -0.01 0.00 0.00 0.00 0.00 51.96 50.96 1dnl s ALA 210 Cb -0.02 0.97 -0.01 0.00 0.00 0.00 0.00 23.12 24.07 1dnl s ALA 210 CO 0.05 -0.88 -0.11 -1.58 0.00 0.00 0.00 175.76 173.24 1dnl s TRP 211 N -3.18 2.85 -0.19 0.00 0.52 -1.26 -0.30 118.94 117.38 1dnl s TRP 211 Ca 0.23 -0.91 -0.12 0.00 0.02 0.00 0.00 56.10 55.31 1dnl s TRP 211 Cb -0.02 -1.95 -0.05 0.00 -1.15 0.00 0.00 33.47 30.30 1dnl s TRP 211 CO 0.14 -0.43 0.20 0.21 0.02 0.00 0.00 176.95 177.09 1dnl s LYS 212 N 0.90 4.21 -0.13 4.98 2.20 -0.13 -4.88 119.74 126.88 1dnl s LYS 212 Ca -0.03 -0.09 -0.00 0.00 -0.36 0.00 0.00 55.97 55.49 1dnl s LYS 212 Cb -0.15 -3.44 -0.02 0.00 -1.51 0.00 0.00 37.83 32.72 1dnl s LYS 212 CO -0.00 0.24 -0.13 0.42 -0.36 0.00 0.00 175.35 175.52 1dnl s ILE 213 N 0.50 3.08 0.00 5.43 1.01 -1.26 -0.41 121.20 129.55 1dnl s ILE 213 Ca 0.12 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 60.13 1dnl s ILE 213 Cb -0.12 -2.29 -0.01 0.00 0.01 0.00 0.00 42.46 40.05 1dnl s ILE 213 CO 0.01 0.53 -0.06 -1.81 0.00 0.00 0.00 174.94 173.61 1dnl s ASP 214 N 0.29 0.67 0.23 3.58 1.01 -0.62 -4.98 116.67 116.84 1dnl s ASP 214 Ca -0.10 -0.18 -0.23 0.00 0.71 0.00 0.00 52.55 52.76 1dnl s ASP 214 Cb -0.16 -0.05 -0.09 0.00 1.01 0.00 0.00 42.92 43.64 1dnl s ASP 214 CO 0.05 0.02 0.80 -0.60 0.21 0.00 0.00 175.17 175.65 1dnl s ARG 215 N -0.39 4.43 0.04 8.23 3.52 -1.26 -0.62 118.95 132.89 1dnl s ARG 215 Ca -0.00 1.07 0.07 0.00 -0.13 0.00 0.00 55.73 56.74 1dnl s ARG 215 Cb -0.03 -2.97 -0.03 0.00 -1.56 0.00 0.00 34.95 30.35 1dnl s ARG 215 CO -0.00 0.42 -0.18 -0.51 -0.81 0.00 0.00 175.30 174.21 1dnl s LEU 216 N -1.76 2.58 0.32 -0.88 1.43 -0.49 -4.93 118.68 114.96 1dnl s LEU 216 Ca 0.43 -0.42 -0.29 0.00 -1.03 0.00 0.00 54.13 52.82 1dnl s LEU 216 Cb -0.19 -1.50 -0.10 0.00 0.03 0.00 0.00 46.19 44.42 1dnl s LEU 216 CO 0.23 0.26 1.30 0.00 0.23 0.00 0.00 176.35 178.38 1dnl s ALA 217 N -0.90 3.50 -2.00 4.21 0.00 -1.26 -4.22 121.76 121.08 1dnl s ALA 217 Ca 0.14 1.24 0.24 0.00 0.00 0.00 0.00 51.96 53.58 1dnl s ALA 217 Cb -0.10 -3.47 1.43 0.00 0.00 0.00 0.00 23.12 20.97 1dnl s ALA 217 CO 0.05 -0.62 1.79 -0.35 0.00 0.00 0.00 175.76 176.63