#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rdm n GLU 2 N 0.00 0.97 -4.32 3.23 -0.00 -1.26 -5.05 120.64 114.22 2rdm n GLU 2 Ca 0.00 -0.09 -0.17 0.00 -0.00 0.00 0.00 57.16 56.91 2rdm n GLU 2 Cb 0.00 -1.23 -0.10 0.00 -0.00 0.00 0.00 31.44 30.11 2rdm n GLU 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2rdm s ALA 3 N -2.67 1.76 -0.31 -1.84 0.00 -1.26 -5.13 121.76 112.31 2rdm s ALA 3 Ca -0.02 -1.70 -0.06 0.00 0.00 0.00 0.00 51.96 50.18 2rdm s ALA 3 Cb 0.08 0.33 0.03 0.00 0.00 0.00 0.00 23.12 23.56 2rdm s ALA 3 CO 0.49 -0.18 0.07 0.08 0.00 0.00 0.00 175.76 176.22 2rdm s VAL 4 N -3.35 3.67 -0.19 0.00 1.01 -1.26 -5.03 120.40 115.25 2rdm s VAL 4 Ca 0.25 -1.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.17 2rdm s VAL 4 Cb 0.04 -3.00 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 2rdm s VAL 4 CO 0.07 -0.05 0.01 -0.89 0.00 0.00 0.00 175.10 174.24 2rdm s THR 5 N 1.41 4.22 -0.20 3.92 2.01 -1.26 -1.40 115.64 124.34 2rdm s THR 5 Ca -0.00 -0.23 -0.05 0.00 0.31 0.00 0.00 61.69 61.71 2rdm s THR 5 Cb -0.18 -2.90 -0.02 0.00 0.01 0.00 0.00 72.50 69.40 2rdm s THR 5 CO 0.02 0.45 0.01 -0.63 -0.69 0.00 0.00 174.62 173.77 2rdm s ILE 6 N 0.68 4.00 -0.16 1.82 -1.09 -0.05 -0.07 121.20 126.34 2rdm s ILE 6 Ca 0.01 -0.29 -0.26 0.00 -2.23 0.00 0.00 60.65 57.87 2rdm s ILE 6 Cb -0.14 -2.82 -0.01 0.00 -1.58 0.00 0.00 42.46 37.91 2rdm s ILE 6 CO 0.02 0.42 0.87 -0.22 -1.23 0.00 0.00 174.94 174.80 2rdm s LEU 7 N 1.05 4.18 -0.18 2.97 2.96 -0.04 -1.36 118.68 128.27 2rdm s LEU 7 Ca 0.02 1.24 0.01 0.00 -0.22 0.00 0.00 54.13 55.19 2rdm s LEU 7 Cb -0.14 -3.30 0.02 0.00 0.50 0.00 0.00 46.19 43.27 2rdm s LEU 7 CO 0.02 -0.42 -0.18 -0.22 -1.32 0.00 0.00 176.35 174.23 2rdm s LEU 8 N 2.18 2.10 -0.21 -0.68 2.96 -0.12 -0.58 118.68 124.34 2rdm s LEU 8 Ca 0.40 -0.66 0.01 0.00 -0.22 0.00 0.00 54.13 53.66 2rdm s LEU 8 Cb -0.17 -1.40 0.05 0.00 0.50 0.00 0.00 46.19 45.17 2rdm s LEU 8 CO 0.13 -0.03 -0.09 0.00 -1.32 0.00 0.00 176.35 175.03 2rdm s ALA 9 N 1.33 2.04 -0.16 5.97 0.00 -0.03 -0.59 121.76 130.32 2rdm s ALA 9 Ca 0.04 -1.28 -0.14 0.00 0.00 0.00 0.00 51.96 50.58 2rdm s ALA 9 Cb -0.14 -1.34 0.04 0.00 0.00 0.00 0.00 23.12 21.69 2rdm s ALA 9 CO -0.12 -0.93 0.41 0.34 0.00 0.00 0.00 175.76 175.46 2rdm s ASP 10 N 1.37 -0.44 0.00 0.00 2.15 -0.91 -0.91 116.67 117.94 2rdm s ASP 10 Ca -0.03 0.83 0.28 0.00 0.43 0.00 0.00 52.55 54.07 2rdm s ASP 10 Cb -0.17 0.83 1.14 0.00 -0.30 0.00 0.00 42.92 44.42 2rdm s ASP 10 CO -0.07 -0.15 1.80 -0.90 -0.17 0.00 0.00 175.17 175.68 2rdm n ASP 11 N 2.98 0.78 -4.45 -0.34 5.75 -1.24 -4.32 116.55 115.71 2rdm n ASP 11 Ca -0.14 -0.89 -0.44 0.00 -0.01 0.00 0.00 54.79 53.32 2rdm n ASP 11 Cb 0.57 -0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.59 2rdm n ASP 11 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2rdm s GLU 12 N -2.33 3.09 0.32 0.11 0.41 -1.26 -4.97 118.70 114.07 2rdm s GLU 12 Ca 0.32 -0.90 0.03 0.00 -0.41 0.00 0.00 54.97 54.01 2rdm s GLU 12 Cb 0.20 -4.05 0.62 0.00 -1.78 0.00 0.00 34.13 29.12 2rdm s GLU 12 CO 0.45 -1.05 1.91 0.00 -0.49 0.00 0.00 175.26 176.08 2rdm h ALA 13 N 8.85 1.60 -0.72 5.21 0.00 -1.99 0.15 119.26 132.36 2rdm h ALA 13 Ca -0.27 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 2rdm h ALA 13 Cb 1.10 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 2rdm h ALA 13 CO 0.89 0.24 0.27 0.82 0.00 0.00 0.00 179.25 181.46 2rdm h ILE 14 N 0.92 1.25 -0.12 0.00 2.04 -1.97 0.53 117.51 120.15 2rdm h ILE 14 Ca 0.39 -0.83 -0.07 0.00 1.00 0.00 0.00 64.86 65.36 2rdm h ILE 14 Cb 0.32 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 36.83 2rdm h ILE 14 CO -0.16 0.33 -0.18 -0.07 0.00 0.00 0.00 178.15 178.07 2rdm h LEU 15 N 1.05 0.38 -0.47 1.44 3.38 -1.71 -1.79 115.31 117.58 2rdm h LEU 15 Ca 0.24 -0.52 0.07 0.00 0.09 0.00 0.00 57.88 57.76 2rdm h LEU 15 Cb 0.25 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 2rdm h LEU 15 CO -0.01 0.82 0.10 0.25 0.09 0.00 0.00 178.44 179.69 2rdm h LEU 16 N -0.06 0.03 -0.31 1.67 5.85 -0.51 0.31 115.31 122.29 2rdm h LEU 16 Ca 0.01 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 2rdm h LEU 16 Cb 0.74 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 2rdm h LEU 16 CO 0.04 0.05 0.15 0.25 -0.34 0.00 0.00 178.44 178.59 2rdm h LEU 17 N 0.24 0.40 -0.06 2.25 5.85 -0.89 -0.41 115.31 122.69 2rdm h LEU 17 Ca 0.23 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 2rdm h LEU 17 Cb 0.29 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 2rdm h LEU 17 CO -0.29 0.41 0.02 -0.78 -0.34 0.00 0.00 178.44 177.46 2rdm h ASP 18 N 0.36 0.08 -0.67 1.25 3.58 -0.89 -1.61 116.42 118.52 2rdm h ASP 18 Ca 0.11 -0.16 -0.06 0.00 0.42 0.00 0.00 57.03 57.34 2rdm h ASP 18 Cb 0.11 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.11 2rdm h ASP 18 CO -0.01 0.22 0.19 -0.26 -2.88 0.00 0.00 179.24 176.49 2rdm h PHE 19 N -0.06 1.10 -0.34 0.28 0.04 -0.94 -1.94 116.94 115.08 2rdm h PHE 19 Ca 0.02 -0.12 0.05 0.00 2.80 0.00 0.00 57.97 60.71 2rdm h PHE 19 Cb 0.16 -0.31 -0.04 0.00 2.20 0.00 0.00 35.95 37.96 2rdm h PHE 19 CO -0.02 0.90 0.09 1.49 -0.60 0.00 0.00 178.31 180.17 2rdm h GLU 20 N 0.99 0.21 -0.41 1.51 4.81 -0.90 -1.17 114.58 119.62 2rdm h GLU 20 Ca 0.21 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.32 2rdm h GLU 20 Cb 0.33 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 2rdm h GLU 20 CO -0.00 0.14 -0.20 0.77 -0.73 0.00 0.00 179.01 178.99 2rdm h SER 21 N 0.22 0.80 -0.33 1.04 0.02 -1.12 -0.89 113.55 113.30 2rdm h SER 21 Ca 0.16 -0.28 -0.05 0.00 -0.84 0.00 0.00 61.79 60.78 2rdm h SER 21 Cb 0.16 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 2rdm h SER 21 CO -0.19 0.98 0.02 0.71 -1.14 0.00 0.00 176.83 177.21 2rdm h THR 22 N 0.70 1.25 -0.46 -2.27 1.35 -1.12 -1.77 112.91 110.59 2rdm h THR 22 Ca 0.10 -0.92 -0.13 0.00 -0.55 0.00 0.00 66.41 64.91 2rdm h THR 22 Cb 0.71 1.21 -0.01 0.00 -1.73 0.00 0.00 68.15 68.32 2rdm h THR 22 CO 0.05 0.30 -0.23 -0.07 -0.25 0.00 0.00 175.52 175.33 2rdm h LEU 23 N 0.38 0.98 -0.73 3.87 3.38 -1.10 -2.46 115.31 119.63 2rdm h LEU 23 Ca 0.09 -0.37 -0.12 0.00 0.09 0.00 0.00 57.88 57.57 2rdm h LEU 23 Cb 0.42 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2rdm h LEU 23 CO 0.01 1.16 -0.27 0.71 0.09 0.00 0.00 178.44 180.14 2rdm h THR 24 N 0.82 1.28 0.00 0.22 1.35 -1.13 -2.10 112.91 113.35 2rdm h THR 24 Ca 0.10 -1.38 -0.03 0.00 -0.55 0.00 0.00 66.41 64.56 2rdm h THR 24 Cb 0.80 1.31 -0.00 0.00 -1.73 0.00 0.00 68.15 68.53 2rdm h THR 24 CO 0.07 0.45 -0.14 0.44 -0.25 0.00 0.00 175.52 176.08 2rdm h ASP 25 N 0.58 0.00 0.45 5.36 3.32 -1.23 -2.43 116.42 122.48 2rdm h ASP 25 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2rdm h ASP 25 Cb 0.76 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.31 2rdm h ASP 25 CO 0.06 0.14 -0.25 0.00 -1.72 0.00 0.00 179.24 177.48 2rdm n ALA 26 N -2.28 3.01 0.00 3.45 0.00 -0.85 -4.93 120.51 118.91 2rdm n ALA 26 Ca -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.12 2rdm n ALA 26 Cb 0.27 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.48 2rdm n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rdm n GLY 27 N 1.39 1.13 3.84 0.00 0.00 -0.91 -5.08 105.19 105.55 2rdm n GLY 27 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 2rdm n GLY 27 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2rdm s PHE 28 N -2.00 3.36 0.12 1.61 0.08 -0.85 -4.74 117.98 115.55 2rdm s PHE 28 Ca 0.00 1.35 -0.18 0.00 0.12 0.00 0.00 56.93 58.21 2rdm s PHE 28 Cb 0.00 -2.64 -0.07 0.00 -0.57 0.00 0.00 43.02 39.74 2rdm s PHE 28 CO 0.00 0.03 0.60 -0.51 -0.10 0.00 0.00 175.22 175.24 2rdm s LEU 29 N -3.03 4.46 -0.08 -0.37 1.43 -0.49 -3.96 118.68 116.64 2rdm s LEU 29 Ca 0.57 1.26 0.03 0.00 -1.03 0.00 0.00 54.13 54.96 2rdm s LEU 29 Cb -0.10 -3.11 0.01 0.00 0.03 0.00 0.00 46.19 43.01 2rdm s LEU 29 CO 0.16 0.19 -0.19 -0.69 0.23 0.00 0.00 176.35 176.06 2rdm s VAL 30 N -1.26 1.64 -0.46 -1.59 1.01 -1.26 -0.87 120.40 117.60 2rdm s VAL 30 Ca 0.34 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 61.42 2rdm s VAL 30 Cb -0.18 -1.44 0.09 0.00 0.00 0.00 0.00 36.38 34.85 2rdm s VAL 30 CO 0.20 0.47 0.35 -0.89 0.00 0.00 0.00 175.10 175.22 2rdm s THR 31 N 0.46 4.70 -0.21 3.92 2.01 -0.46 -4.96 115.64 121.09 2rdm s THR 31 Ca -0.16 -1.35 -0.12 0.00 0.31 0.00 0.00 61.69 60.36 2rdm s THR 31 Cb -0.17 -3.90 -0.05 0.00 0.01 0.00 0.00 72.50 68.40 2rdm s THR 31 CO 0.06 -0.62 0.23 0.00 -0.69 0.00 0.00 174.62 173.61 2rdm s ALA 32 N 1.51 3.61 0.12 7.40 0.00 -1.26 -0.94 121.76 132.21 2rdm s ALA 32 Ca 0.04 -0.70 0.03 0.00 0.00 0.00 0.00 51.96 51.33 2rdm s ALA 32 Cb -0.25 -2.38 -0.04 0.00 0.00 0.00 0.00 23.12 20.45 2rdm s ALA 32 CO 0.03 -0.11 -0.09 0.14 0.00 0.00 0.00 175.76 175.74 2rdm s VAL 33 N 0.90 0.95 -1.81 0.00 -7.23 0.24 -4.97 120.40 108.47 2rdm s VAL 33 Ca 0.12 -1.98 0.21 0.00 -1.81 0.00 0.00 61.98 58.51 2rdm s VAL 33 Cb -0.13 -1.75 -0.03 0.00 0.56 0.00 0.00 36.38 35.03 2rdm s VAL 33 CO 0.04 -0.79 1.01 -1.20 -0.31 0.00 0.00 175.10 173.85 2rdm n SER 34 N -0.09 1.85 -3.91 4.85 7.64 -1.26 -2.15 113.62 120.55 2rdm n SER 34 Ca -0.11 -1.42 -0.09 0.00 1.01 0.00 0.00 58.87 58.26 2rdm n SER 34 Cb 0.61 0.52 -0.08 0.00 -1.01 0.00 0.00 64.21 64.25 2rdm n SER 34 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2rdm s SER 35 N -2.38 0.19 0.28 6.43 1.04 -1.26 -3.68 113.70 114.32 2rdm s SER 35 Ca 0.16 -0.67 -0.03 0.00 0.48 0.00 0.00 55.95 55.89 2rdm s SER 35 Cb 0.17 0.29 0.38 0.00 0.10 0.00 0.00 66.02 66.96 2rdm s SER 35 CO 0.56 -0.65 1.94 1.23 0.98 0.00 0.00 173.24 177.30 2rdm h GLY 36 N 3.04 1.30 0.50 7.32 0.00 -1.87 -1.72 103.07 111.65 2rdm h GLY 36 Ca -0.34 -0.47 0.06 0.00 0.00 0.00 0.00 47.33 46.59 2rdm h GLY 36 CO 0.56 0.44 0.07 0.00 0.00 0.00 0.00 176.54 177.62 2rdm h ALA 37 N 1.44 0.43 -0.19 3.60 0.00 -1.85 -0.69 119.26 122.00 2rdm h ALA 37 Ca 0.35 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 55.22 2rdm h ALA 37 Cb -0.08 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2rdm h ALA 37 CO -0.09 -0.33 -0.39 0.87 0.00 0.00 0.00 179.25 179.32 2rdm h LYS 38 N 0.20 0.43 -0.34 0.00 1.79 -1.90 -1.30 116.57 115.44 2rdm h LYS 38 Ca 0.19 -0.20 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 2rdm h LYS 38 Cb 0.23 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.86 2rdm h LYS 38 CO -0.26 0.75 0.17 0.00 -1.08 0.00 0.00 179.45 179.03 2rdm h ALA 39 N 1.23 0.44 -0.55 3.86 0.00 -0.93 -2.92 119.26 120.40 2rdm h ALA 39 Ca 0.03 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2rdm h ALA 39 Cb 0.84 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2rdm h ALA 39 CO 0.07 0.01 0.19 0.82 0.00 0.00 0.00 179.25 180.33 2rdm h ILE 40 N 0.42 1.23 0.00 0.00 2.04 -1.02 -0.67 117.51 119.51 2rdm h ILE 40 Ca 0.12 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.22 2rdm h ILE 40 Cb 0.12 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 2rdm h ILE 40 CO -0.01 0.28 0.00 1.21 0.00 0.00 0.00 178.15 179.63 2rdm n GLU 41 N -4.47 0.00 0.00 2.37 2.13 -0.50 0.10 120.64 120.27 2rdm n GLU 41 Ca 0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.84 2rdm n GLU 41 Cb 0.19 -1.13 0.00 0.00 0.27 0.00 0.00 31.44 30.77 2rdm n GLU 41 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2rdm n LEU 43 N 0.66 0.00 0.11 4.31 4.77 -0.26 -1.50 117.00 125.09 2rdm n LEU 43 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 2rdm n LEU 43 Cb 0.00 0.00 0.46 0.00 -2.33 0.00 0.00 43.42 41.55 2rdm n LEU 43 CO 0.00 0.00 0.86 0.29 -1.33 0.00 0.00 177.39 177.21 2rdm n LYS 44 N 0.00 0.20 -0.15 3.23 5.02 0.11 -2.79 118.16 123.78 2rdm n LYS 44 Ca 0.00 0.34 0.08 0.00 -2.02 0.00 0.00 58.31 56.71 2rdm n LYS 44 Cb 0.00 -1.82 0.25 0.00 -0.02 0.00 0.00 35.03 33.44 2rdm n LYS 44 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2rdm n SER 45 N -2.19 1.95 -0.06 4.39 7.64 -0.56 -4.93 113.62 119.86 2rdm n SER 45 Ca 0.03 -1.89 -0.01 0.00 1.01 0.00 0.00 58.87 58.02 2rdm n SER 45 Cb 0.29 -0.20 -0.00 0.00 -1.01 0.00 0.00 64.21 63.29 2rdm n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2rdm n GLY 46 N 1.13 0.48 3.76 0.23 0.00 -1.12 -5.02 105.19 104.65 2rdm n GLY 46 Ca 0.14 -0.49 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 2rdm n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rdm s ALA 47 N -1.99 2.84 -0.51 4.61 0.00 -1.26 -4.93 121.76 120.51 2rdm s ALA 47 Ca 0.00 1.12 -0.28 0.00 0.00 0.00 0.00 51.96 52.80 2rdm s ALA 47 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2rdm s ALA 47 CO 0.00 -1.04 1.52 0.00 0.00 0.00 0.00 175.76 176.24 2rdm s ALA 48 N -1.45 2.77 -0.18 0.00 0.00 -1.26 -4.93 121.76 116.72 2rdm s ALA 48 Ca 0.69 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.19 2rdm s ALA 48 Cb -0.34 -4.09 0.01 0.00 0.00 0.00 0.00 23.12 18.71 2rdm s ALA 48 CO 0.40 -2.93 -0.18 0.42 0.00 0.00 0.00 175.76 173.47 2rdm s ILE 49 N 6.44 2.24 -0.58 0.00 -1.09 -1.26 -4.67 121.20 122.29 2rdm s ILE 49 Ca 0.59 -0.88 0.22 0.00 -2.23 0.00 0.00 60.65 58.35 2rdm s ILE 49 Cb -0.13 -1.95 -0.20 0.00 -1.58 0.00 0.00 42.46 38.60 2rdm s ILE 49 CO 0.27 0.53 0.85 0.47 -1.23 0.00 0.00 174.94 175.83 2rdm n ASP 50 N 4.58 0.57 -3.50 3.58 8.00 0.90 -4.97 116.55 125.71 2rdm n ASP 50 Ca -0.20 -0.38 -0.13 0.00 0.71 0.00 0.00 54.79 54.78 2rdm n ASP 50 Cb 0.50 1.16 -0.04 0.00 -0.02 0.00 0.00 41.12 42.72 2rdm n ASP 50 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2rdm s GLY 51 N -3.69 -0.52 -0.10 0.44 0.00 -1.09 -4.33 107.32 98.04 2rdm s GLY 51 Ca 0.02 1.13 0.02 0.00 0.00 0.00 0.00 44.72 45.90 2rdm s GLY 51 CO 0.85 0.63 -0.16 0.14 0.00 0.00 0.00 173.10 174.56 2rdm s VAL 52 N -2.25 1.52 -0.23 1.40 1.01 -0.28 -0.86 120.40 120.71 2rdm s VAL 52 Ca -0.03 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.29 2rdm s VAL 52 Cb -0.01 -1.37 0.04 0.00 0.00 0.00 0.00 36.38 35.05 2rdm s VAL 52 CO -0.01 0.44 -0.14 -0.69 0.00 0.00 0.00 175.10 174.70 2rdm s VAL 53 N 0.77 2.18 0.00 2.92 1.01 0.25 -1.00 120.40 126.53 2rdm s VAL 53 Ca -0.11 -1.34 0.02 0.00 0.00 0.00 0.00 61.98 60.55 2rdm s VAL 53 Cb -0.16 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 2rdm s VAL 53 CO 0.02 0.19 -0.07 0.28 0.00 0.00 0.00 175.10 175.53 2rdm s THR 54 N 1.19 0.52 0.59 3.92 -1.32 -0.21 -0.85 115.64 119.47 2rdm s THR 54 Ca -0.03 -0.41 -0.18 0.00 -1.21 0.00 0.00 61.69 59.86 2rdm s THR 54 Cb -0.17 -0.46 -0.04 0.00 -1.51 0.00 0.00 72.50 70.32 2rdm s THR 54 CO -0.08 0.06 1.14 -0.62 -2.21 0.00 0.00 174.62 172.91 2rdm s ASP 55 N -0.39 5.41 0.14 8.08 -1.08 -0.08 0.40 116.67 129.15 2rdm s ASP 55 Ca 0.01 2.17 0.07 0.00 -0.52 0.00 0.00 52.55 54.28 2rdm s ASP 55 Cb -0.04 -2.58 -0.12 0.00 -1.46 0.00 0.00 42.92 38.73 2rdm s ASP 55 CO -0.00 -1.43 1.33 0.16 0.52 0.00 0.00 175.17 175.75 2rdm h ILE 56 N 0.78 1.67 -4.03 4.11 3.07 -1.61 -3.22 117.51 118.28 2rdm h ILE 56 Ca -0.49 -3.20 -0.52 0.00 1.55 0.00 0.00 64.86 62.20 2rdm h ILE 56 Cb 1.26 2.73 -0.30 0.00 -0.27 0.00 0.00 36.82 40.25 2rdm h ILE 56 CO 0.56 0.92 -0.82 -0.60 -1.05 0.00 0.00 178.15 177.15 2rdm s ARG 57 N -2.86 1.44 0.45 0.16 3.52 -1.26 0.19 118.95 120.60 2rdm s ARG 57 Ca 0.00 -0.54 0.03 0.00 -0.13 0.00 0.00 55.73 55.09 2rdm s ARG 57 Cb 0.10 -1.32 -0.02 0.00 -1.56 0.00 0.00 34.95 32.16 2rdm s ARG 57 CO 0.81 0.26 0.07 -0.06 -0.81 0.00 0.00 175.30 175.58 2rdm s PHE 58 N -0.10 1.83 0.16 5.12 0.08 -1.26 -4.78 117.98 119.03 2rdm s PHE 58 Ca 0.00 -1.14 -0.15 0.00 0.12 0.00 0.00 56.93 55.77 2rdm s PHE 58 Cb -0.09 -1.36 0.04 0.00 -0.57 0.00 0.00 43.02 41.05 2rdm s PHE 58 CO 0.01 -0.07 1.78 0.00 -0.10 0.00 0.00 175.22 176.84 2rdm s GLN 60 N -5.94 1.35 0.68 0.00 -1.52 -1.26 -5.14 119.66 107.83 2rdm s GLN 60 Ca -0.13 -1.40 -0.17 0.00 -1.95 0.00 0.00 55.36 51.72 2rdm s GLN 60 Cb 0.12 -1.60 -0.01 0.00 -0.22 0.00 0.00 33.01 31.29 2rdm s GLN 60 CO 0.75 0.35 0.96 -2.30 -0.25 0.00 0.00 175.29 174.80 2rdm n PRO 61 N 0.51 0.65 -2.52 2.91 -0.02 -1.26 -4.64 135.00 130.63 2rdm n PRO 61 Ca -0.15 0.27 -0.33 0.00 -2.02 0.00 0.00 63.50 61.28 2rdm n PRO 61 Cb 0.55 -2.20 -0.04 0.00 -0.02 0.00 0.00 33.50 31.79 2rdm n PRO 61 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2rdm s PRO 62 N -3.12 3.93 0.76 0.52 0.02 -1.26 -4.73 135.00 131.10 2rdm s PRO 62 Ca 0.75 1.13 -0.04 0.00 0.02 0.00 0.00 61.00 62.85 2rdm s PRO 62 Cb -0.37 -2.13 0.13 0.00 0.02 0.00 0.00 34.50 32.15 2rdm s PRO 62 CO 0.49 -0.30 1.05 0.16 -0.33 0.00 0.00 177.00 178.07 2rdm s ASP 63 N -2.51 4.21 0.43 2.53 1.47 -1.26 -4.16 116.67 117.38 2rdm s ASP 63 Ca 0.62 -0.13 0.18 0.00 1.18 0.00 0.00 52.55 54.40 2rdm s ASP 63 Cb -0.12 -0.24 0.97 0.00 -0.34 0.00 0.00 42.92 43.19 2rdm s ASP 63 CO 0.24 -1.96 1.91 1.23 0.68 0.00 0.00 175.17 177.27 2rdm h GLY 64 N -0.72 0.00 0.79 2.12 0.00 -0.27 -2.04 103.07 102.95 2rdm h GLY 64 Ca -0.39 0.00 0.04 0.00 0.00 0.00 0.00 47.33 46.98 2rdm h GLY 64 CO 0.43 0.00 0.29 1.49 0.00 0.00 0.00 176.54 178.75 2rdm h TRP 65 N 0.00 0.54 -0.28 5.60 -0.00 -1.84 -1.73 115.95 118.23 2rdm h TRP 65 Ca -0.00 0.02 -0.12 0.00 -0.00 0.00 0.00 58.89 58.78 2rdm h TRP 65 Cb 0.53 -0.17 -0.01 0.00 -0.00 0.00 0.00 29.16 29.52 2rdm h TRP 65 CO 0.00 0.28 -0.34 0.37 -0.00 0.00 0.00 178.44 178.75 2rdm h GLN 66 N 0.57 0.62 -0.52 0.49 5.75 -1.78 -2.53 115.11 117.70 2rdm h GLN 66 Ca 0.22 -0.29 0.00 0.00 -0.15 0.00 0.00 58.65 58.44 2rdm h GLN 66 Cb 0.09 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.60 2rdm h GLN 66 CO -0.13 0.87 0.34 0.28 -2.65 0.00 0.00 178.83 177.54 2rdm h VAL 67 N 0.52 1.14 -0.29 2.39 2.07 -1.13 -1.85 116.25 119.10 2rdm h VAL 67 Ca 0.06 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.23 2rdm h VAL 67 Cb 0.84 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 2rdm h VAL 67 CO 0.07 0.13 -0.16 0.00 0.02 0.00 0.00 177.57 177.63 2rdm h ALA 68 N 1.18 1.18 -0.44 1.67 0.00 -1.20 -1.79 119.26 119.87 2rdm h ALA 68 Ca 0.19 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2rdm h ALA 68 Cb -0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2rdm h ALA 68 CO -0.04 0.52 0.06 0.00 0.00 0.00 0.00 179.25 179.79 2rdm h ARG 69 N 0.47 0.74 -0.47 0.00 3.08 -1.10 -0.94 114.38 116.16 2rdm h ARG 69 Ca 0.08 -0.21 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 2rdm h ARG 69 Cb 0.55 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 2rdm h ARG 69 CO 0.04 0.77 0.15 0.28 -1.07 0.00 0.00 179.97 180.14 2rdm h VAL 70 N 0.60 1.23 -0.48 2.04 2.07 -1.15 -0.06 116.25 120.50 2rdm h VAL 70 Ca 0.13 -0.75 0.03 0.00 0.82 0.00 0.00 66.70 66.93 2rdm h VAL 70 Cb 0.40 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 2rdm h VAL 70 CO 0.01 0.27 0.26 0.00 0.02 0.00 0.00 177.57 178.14 2rdm h ALA 71 N 1.00 0.61 0.00 1.67 0.00 -1.23 -2.13 119.26 119.18 2rdm h ALA 71 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 2rdm h ALA 71 Cb 0.27 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2rdm h ALA 71 CO -0.00 -0.06 -0.50 0.00 0.00 0.00 0.00 179.25 178.68 2rdm h ARG 72 N 0.52 0.00 -0.68 0.00 2.47 -0.94 0.42 114.38 116.17 2rdm h ARG 72 Ca 0.20 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.86 2rdm h ARG 72 Cb 0.06 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.35 2rdm h ARG 72 CO -0.11 0.50 0.18 0.93 0.56 0.00 0.00 179.97 182.02 2rdm h GLU 73 N 0.00 1.07 -0.02 0.04 5.08 -0.68 -2.58 114.58 117.50 2rdm h GLU 73 Ca -0.00 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 2rdm h GLU 73 Cb 0.93 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.03 2rdm h GLU 73 CO 0.06 0.94 -0.05 0.82 -1.00 0.00 0.00 179.01 179.79 2rdm h ILE 74 N 1.02 1.47 -3.05 3.13 2.04 -1.05 -3.43 117.51 117.65 2rdm h ILE 74 Ca 0.22 -1.47 -0.49 0.00 1.00 0.00 0.00 64.86 64.12 2rdm h ILE 74 Cb 0.34 2.42 -0.41 0.00 -0.74 0.00 0.00 36.82 38.43 2rdm h ILE 74 CO -0.00 0.39 -0.76 -0.62 0.00 0.00 0.00 178.15 177.16 2rdm s ASP 75 N -5.90 2.79 0.24 1.72 2.15 0.11 -5.02 116.67 112.75 2rdm s ASP 75 Ca -0.16 -0.84 0.21 0.00 0.43 0.00 0.00 52.55 52.18 2rdm s ASP 75 Cb 0.01 -0.36 0.95 0.00 -0.30 0.00 0.00 42.92 43.22 2rdm s ASP 75 CO 0.69 -0.36 1.63 -0.81 -0.17 0.00 0.00 175.17 176.15 2rdm n PRO 76 N 5.21 0.15 -3.87 4.34 -0.04 -0.98 -4.08 135.00 135.73 2rdm n PRO 76 Ca -0.07 0.48 -0.35 0.00 -0.04 0.00 0.00 63.50 63.53 2rdm n PRO 76 Cb 0.47 -1.85 -0.09 0.00 -0.04 0.00 0.00 33.50 31.99 2rdm n PRO 76 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2rdm s ASN 77 N -4.00 5.85 -0.15 3.54 0.02 -1.26 -4.99 114.94 113.96 2rdm s ASN 77 Ca 0.02 0.12 0.00 0.00 -1.02 0.00 0.00 52.86 51.98 2rdm s ASN 77 Cb 0.08 -2.02 -0.01 0.00 0.02 0.00 0.00 41.25 39.32 2rdm s ASN 77 CO 0.29 0.15 -0.15 -2.84 0.02 0.00 0.00 177.10 174.58 2rdm s PRO 79 N 0.51 3.27 -0.13 -0.60 0.02 -1.26 -4.93 135.00 131.87 2rdm s PRO 79 Ca 0.05 -0.73 0.00 0.00 0.02 0.00 0.00 61.00 60.34 2rdm s PRO 79 Cb -0.12 -2.63 0.02 0.00 0.02 0.00 0.00 34.50 31.80 2rdm s PRO 79 CO 0.00 0.08 -0.12 0.42 -0.33 0.00 0.00 177.00 177.06 2rdm s ILE 80 N 0.66 1.38 -0.16 2.83 -1.09 -1.26 -1.12 121.20 122.44 2rdm s ILE 80 Ca -0.07 -0.51 0.01 0.00 -2.23 0.00 0.00 60.65 57.84 2rdm s ILE 80 Cb -0.16 -1.32 0.01 0.00 -1.58 0.00 0.00 42.46 39.41 2rdm s ILE 80 CO 0.02 0.43 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.29 2rdm s VAL 81 N 1.54 2.40 0.03 2.92 1.01 -0.17 -1.53 120.40 126.60 2rdm s VAL 81 Ca 0.05 -0.85 -0.11 0.00 0.00 0.00 0.00 61.98 61.06 2rdm s VAL 81 Cb -0.13 -2.00 -0.06 0.00 0.00 0.00 0.00 36.38 34.19 2rdm s VAL 81 CO -0.10 0.52 0.37 -0.31 0.00 0.00 0.00 175.10 175.59 2rdm s TYR 82 N 0.98 3.64 -0.13 5.22 2.02 0.53 -1.05 117.35 128.56 2rdm s TYR 82 Ca -0.03 0.83 -0.01 0.00 -0.37 0.00 0.00 57.07 57.50 2rdm s TYR 82 Cb -0.15 -2.18 -0.02 0.00 -0.40 0.00 0.00 41.96 39.21 2rdm s TYR 82 CO -0.04 0.59 -0.12 0.42 -1.57 0.00 0.00 175.55 174.84 2rdm s ILE 83 N -1.24 3.20 0.01 2.71 1.01 0.16 -0.55 121.20 126.50 2rdm s ILE 83 Ca 0.28 -0.61 -0.10 0.00 0.00 0.00 0.00 60.65 60.21 2rdm s ILE 83 Cb -0.15 -2.35 0.01 0.00 0.01 0.00 0.00 42.46 39.98 2rdm s ILE 83 CO 0.15 0.52 0.20 -0.94 0.00 0.00 0.00 174.94 174.87 2rdm s SER 84 N 0.28 -0.03 0.00 3.58 1.04 -0.71 -1.45 113.70 116.40 2rdm s SER 84 Ca -0.09 -0.18 0.21 0.00 0.48 0.00 0.00 55.95 56.37 2rdm s SER 84 Cb -0.15 0.26 0.58 0.00 0.10 0.00 0.00 66.02 66.81 2rdm s SER 84 CO 0.05 -0.45 1.49 0.61 0.98 0.00 0.00 173.24 175.92 2rdm n GLY 85 N 1.17 2.53 1.30 7.32 0.00 -1.26 -0.32 105.19 115.94 2rdm n GLY 85 Ca -0.21 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.09 2rdm n GLY 85 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2rdm n HIS 86 N 1.45 -0.66 -2.24 1.61 8.25 -1.26 -4.89 115.22 117.48 2rdm n HIS 86 Ca 0.22 0.12 -0.23 0.00 -0.26 0.00 0.00 57.72 57.57 2rdm n HIS 86 Cb 0.59 0.16 0.02 0.00 1.12 0.00 0.00 29.99 31.87 2rdm n HIS 86 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2rdm n ALA 87 N -3.45 4.83 0.23 -1.41 0.00 -1.26 -4.82 120.51 114.63 2rdm n ALA 87 Ca 0.00 -3.87 0.11 0.00 0.00 0.00 0.00 53.44 49.67 2rdm n ALA 87 Cb 0.03 -0.45 0.48 0.00 0.00 0.00 0.00 19.45 19.51 2rdm n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rdm h ALA 88 N 2.36 1.02 -0.66 0.00 0.00 -1.99 0.44 119.26 120.43 2rdm h ALA 88 Ca 0.30 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.07 2rdm h ALA 88 Cb 1.31 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 2rdm h ALA 88 CO 0.74 0.24 0.40 -0.07 0.00 0.00 0.00 179.25 180.57 2rdm h LEU 89 N 0.00 0.63 -0.76 0.00 4.07 -2.02 -2.44 115.31 114.79 2rdm h LEU 89 Ca -0.00 0.01 -0.12 0.00 0.08 0.00 0.00 57.88 57.85 2rdm h LEU 89 Cb 0.73 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.33 2rdm h LEU 89 CO 0.03 0.43 -0.30 -0.33 -1.08 0.00 0.00 178.44 177.19 2rdm h GLU 90 N 0.77 0.60 -0.93 1.13 5.08 -1.35 -3.16 114.58 116.72 2rdm h GLU 90 Ca 0.28 -0.26 0.08 0.00 -1.00 0.00 0.00 59.36 58.45 2rdm h GLU 90 Cb 0.07 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.24 2rdm h GLU 90 CO -0.13 0.83 0.60 2.35 -1.00 0.00 0.00 179.01 181.67 2rdm h TRP 91 N 0.52 1.06 -0.74 4.33 7.01 -1.04 -1.38 115.95 125.71 2rdm h TRP 91 Ca 0.06 0.03 0.12 0.00 2.11 0.00 0.00 58.89 61.21 2rdm h TRP 91 Cb 0.77 -0.35 -0.05 0.00 -2.10 0.00 0.00 29.16 27.44 2rdm h TRP 91 CO 0.03 0.53 0.49 0.00 -2.79 0.00 0.00 178.44 176.69 2rdm h ALA 92 N 1.51 1.94 0.00 2.65 0.00 -1.40 0.10 119.26 124.06 2rdm h ALA 92 Ca 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2rdm h ALA 92 Cb 0.27 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2rdm h ALA 92 CO -0.17 -0.11 -1.38 -1.13 0.00 0.00 0.00 179.25 176.46 2rdm n SER 93 N -4.49 1.24 -0.02 0.00 3.41 -1.07 -4.75 113.62 107.94 2rdm n SER 93 Ca 0.13 -0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 2rdm n SER 93 Cb 0.41 1.47 -0.06 0.00 -0.26 0.00 0.00 64.21 65.78 2rdm n SER 93 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2rdm n ASN 94 N -1.81 3.24 -4.75 4.04 3.02 -0.54 -5.05 115.26 113.40 2rdm n ASN 94 Ca -0.01 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.19 2rdm n ASN 94 Cb 0.34 1.04 0.05 0.00 -0.61 0.00 0.00 39.78 40.60 2rdm n ASN 94 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2rdm s GLY 95 N -3.35 2.47 0.47 7.41 0.00 0.34 -4.94 107.32 109.73 2rdm s GLY 95 Ca -0.03 0.83 -0.06 0.00 0.00 0.00 0.00 44.72 45.46 2rdm s GLY 95 CO 0.31 1.21 0.79 -1.34 0.00 0.00 0.00 173.10 174.07 2rdm s VAL 96 N -1.91 4.89 0.52 1.40 -7.23 -1.26 -4.98 120.40 111.83 2rdm s VAL 96 Ca 0.73 0.28 -0.22 0.00 -1.81 0.00 0.00 61.98 60.96 2rdm s VAL 96 Cb -0.27 -3.85 -0.06 0.00 0.56 0.00 0.00 36.38 32.77 2rdm s VAL 96 CO 0.38 -0.81 1.36 -2.84 -0.31 0.00 0.00 175.10 172.87 2rdm s PRO 97 N -4.61 3.29 0.00 4.82 0.02 -1.26 -3.14 135.00 134.11 2rdm s PRO 97 Ca 0.48 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.74 2rdm s PRO 97 Cb -0.10 -2.34 0.00 0.00 0.02 0.00 0.00 34.50 32.07 2rdm s PRO 97 CO 0.43 -1.07 0.00 -0.25 -0.33 0.00 0.00 177.00 175.78 2rdm n ASP 98 N -0.83 -4.21 -4.87 2.53 8.00 -1.26 -5.00 116.55 110.91 2rdm n ASP 98 Ca 0.09 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.28 2rdm n ASP 98 Cb 0.45 -2.12 0.02 0.00 -0.02 0.00 0.00 41.12 39.44 2rdm n ASP 98 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2rdm s SER 99 N -2.04 6.11 -0.08 -2.24 1.04 -1.19 -4.79 113.70 110.52 2rdm s SER 99 Ca 0.00 1.41 0.00 0.00 0.48 0.00 0.00 55.95 57.84 2rdm s SER 99 Cb 0.00 -2.43 -0.03 0.00 0.10 0.00 0.00 66.02 63.66 2rdm s SER 99 CO 0.00 -0.94 -0.06 -0.63 0.98 0.00 0.00 173.24 172.59 2rdm s ILE 100 N -3.18 3.77 -0.17 -1.02 1.01 -0.58 -5.03 121.20 115.99 2rdm s ILE 100 Ca 0.55 -0.45 -0.02 0.00 0.00 0.00 0.00 60.65 60.74 2rdm s ILE 100 Cb -0.11 -2.56 -0.01 0.00 0.01 0.00 0.00 42.46 39.79 2rdm s ILE 100 CO 0.54 0.59 -0.10 -0.51 0.00 0.00 0.00 174.94 175.46 2rdm s ILE 101 N -0.68 3.12 -0.22 2.92 2.07 -1.26 -0.35 121.20 126.81 2rdm s ILE 101 Ca 0.10 -0.60 -0.07 0.00 -1.41 0.00 0.00 60.65 58.67 2rdm s ILE 101 Cb -0.11 -2.36 -0.03 0.00 0.13 0.00 0.00 42.46 40.08 2rdm s ILE 101 CO 0.02 0.48 0.06 -0.76 -1.91 0.00 0.00 174.94 172.83 2rdm s LEU 102 N 0.93 3.56 -0.12 8.50 1.43 0.29 -4.96 118.68 128.31 2rdm s LEU 102 Ca -0.02 -0.09 -0.19 0.00 -1.03 0.00 0.00 54.13 52.80 2rdm s LEU 102 Cb -0.15 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 2rdm s LEU 102 CO -0.00 0.06 0.51 -1.61 0.23 0.00 0.00 176.35 175.53 2rdm s GLU 103 N 1.05 4.34 0.28 1.70 2.02 -1.26 -1.75 118.70 125.08 2rdm s GLU 103 Ca 0.04 0.50 -0.29 0.00 0.02 0.00 0.00 54.97 55.23 2rdm s GLU 103 Cb -0.14 -3.45 -0.10 0.00 0.10 0.00 0.00 34.13 30.54 2rdm s GLU 103 CO 0.03 0.12 1.40 0.15 0.02 0.00 0.00 175.26 176.98 2rdm s LYS 104 N 0.73 4.29 0.37 1.61 1.02 0.57 -3.94 119.74 124.38 2rdm s LYS 104 Ca 0.27 2.28 -0.15 0.00 0.02 0.00 0.00 55.97 58.39 2rdm s LYS 104 Cb -0.15 -3.09 -0.09 0.00 -0.52 0.00 0.00 37.83 33.98 2rdm s LYS 104 CO 0.11 -0.35 0.79 -1.25 -0.92 0.00 0.00 175.35 173.73 2rdm s PRO 105 N -0.93 3.99 0.03 -1.68 0.04 -1.26 -4.87 135.00 130.31 2rdm s PRO 105 Ca 0.55 0.72 -0.04 0.00 0.04 0.00 0.00 61.00 62.28 2rdm s PRO 105 Cb -0.41 -2.36 -0.01 0.00 0.04 0.00 0.00 34.50 31.75 2rdm s PRO 105 CO 0.47 0.06 0.05 -0.59 0.04 0.00 0.00 177.00 177.03 2rdm s PHE 106 N -2.14 0.23 0.66 0.56 -0.12 -1.25 -5.17 117.98 110.74 2rdm s PHE 106 Ca 0.55 -0.51 -0.06 0.00 -0.05 0.00 0.00 56.93 56.87 2rdm s PHE 106 Cb -0.10 -0.17 0.04 0.00 -0.63 0.00 0.00 43.02 42.17 2rdm s PHE 106 CO 0.21 -0.29 0.97 0.95 -0.05 0.00 0.00 175.22 177.00 2rdm s THR 107 N -2.15 2.71 0.19 -4.49 -4.23 -1.26 -4.97 115.64 101.44 2rdm s THR 107 Ca -0.09 -0.21 -0.12 0.00 -1.18 0.00 0.00 61.69 60.09 2rdm s THR 107 Cb -0.04 -3.13 0.11 0.00 1.34 0.00 0.00 72.50 70.78 2rdm s THR 107 CO -0.03 -0.14 1.74 0.77 -0.54 0.00 0.00 174.62 176.42 2rdm h SER 108 N -0.44 0.13 -0.87 3.99 4.64 -2.00 -2.43 113.55 116.57 2rdm h SER 108 Ca -0.45 0.08 0.05 0.00 -0.47 0.00 0.00 61.79 61.00 2rdm h SER 108 Cb 1.30 0.07 -0.05 0.00 -0.31 0.00 0.00 62.40 63.41 2rdm h SER 108 CO 0.60 0.10 0.57 0.00 -0.87 0.00 0.00 176.83 177.23 2rdm h ALA 109 N 1.38 1.51 -0.43 5.18 0.00 -1.99 -1.38 119.26 123.52 2rdm h ALA 109 Ca 0.26 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2rdm h ALA 109 Cb 0.32 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2rdm h ALA 109 CO -0.29 0.38 0.18 1.96 0.00 0.00 0.00 179.25 181.48 2rdm h GLN 110 N 1.03 0.65 -0.37 0.00 4.20 -1.82 -0.68 115.11 118.11 2rdm h GLN 110 Ca 0.36 -0.12 -0.05 0.00 0.06 0.00 0.00 58.65 58.90 2rdm h GLN 110 Cb 0.13 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 2rdm h GLN 110 CO -0.12 0.59 0.02 1.25 -0.67 0.00 0.00 178.83 179.90 2rdm h LEU 111 N 0.56 0.62 -0.13 1.46 5.85 -1.15 -0.45 115.31 122.07 2rdm h LEU 111 Ca 0.15 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.60 2rdm h LEU 111 Cb 0.19 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 2rdm h LEU 111 CO -0.01 0.76 -0.03 0.40 -0.34 0.00 0.00 178.44 179.22 2rdm h ILE 112 N 0.46 0.88 -0.46 4.05 1.08 -1.20 -0.98 117.51 121.34 2rdm h ILE 112 Ca 0.11 -0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.56 2rdm h ILE 112 Cb 0.43 0.86 -0.02 0.00 -3.07 0.00 0.00 36.82 35.02 2rdm h ILE 112 CO 0.01 0.00 0.24 0.74 -0.69 0.00 0.00 178.15 178.46 2rdm h THR 113 N 0.01 1.17 0.22 -0.27 2.02 -0.96 -0.29 112.91 114.82 2rdm h THR 113 Ca 0.06 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.78 2rdm h THR 113 Cb 0.09 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 2rdm h THR 113 CO -0.13 0.18 -0.19 0.00 0.37 0.00 0.00 175.52 175.76 2rdm h ALA 114 N 1.09 -0.40 -0.22 6.16 0.00 -0.81 -0.41 119.26 124.67 2rdm h ALA 114 Ca 0.16 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2rdm h ALA 114 Cb 0.08 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2rdm h ALA 114 CO -0.02 -0.75 0.13 0.28 0.00 0.00 0.00 179.25 178.88 2rdm h VAL 115 N -0.43 1.03 -0.46 0.00 2.07 -1.11 -2.39 116.25 114.96 2rdm h VAL 115 Ca -0.01 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 2rdm h VAL 115 Cb 0.39 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 2rdm h VAL 115 CO -0.03 0.05 0.18 0.28 0.02 0.00 0.00 177.57 178.07 2rdm h SER 116 N 0.26 0.63 -0.58 0.57 0.02 -0.95 -1.51 113.55 111.99 2rdm h SER 116 Ca 0.08 -0.17 0.02 0.00 -0.84 0.00 0.00 61.79 60.88 2rdm h SER 116 Cb -0.01 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 2rdm h SER 116 CO -0.04 0.63 0.37 -0.61 -1.14 0.00 0.00 176.83 176.04 2rdm h GLN 117 N 0.59 0.72 -0.36 3.45 4.15 -0.99 0.48 115.11 123.16 2rdm h GLN 117 Ca 0.15 -0.04 -0.15 0.00 0.77 0.00 0.00 58.65 59.38 2rdm h GLN 117 Cb 0.20 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 2rdm h GLN 117 CO -0.01 0.48 -0.37 -0.07 -1.93 0.00 0.00 178.83 176.92 2rdm h LEU 118 N 0.74 0.89 -0.51 -2.39 3.38 -1.23 -2.15 115.31 114.05 2rdm h LEU 118 Ca 0.23 -0.40 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 2rdm h LEU 118 Cb -0.03 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 2rdm h LEU 118 CO -0.08 1.16 0.07 -0.07 0.09 0.00 0.00 178.44 179.61 2rdm h LEU 119 N 0.69 0.82 -1.56 1.67 3.38 -1.06 -3.00 115.31 116.26 2rdm h LEU 119 Ca 0.06 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 2rdm h LEU 119 Cb 0.94 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2rdm h LEU 119 CO 0.09 0.89 -0.22 0.78 0.09 0.00 0.00 178.44 180.07 2rdm h ASN 120 N 0.73 0.01 0.71 -0.43 2.35 -0.78 -2.77 115.58 115.40 2rdm h ASN 120 Ca 0.15 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2rdm h ASN 120 Cb 0.42 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 2rdm h ASN 120 CO 0.01 0.23 -0.08 0.00 -1.65 0.00 0.00 177.43 175.93 2rdm n ALA 121 N -2.50 2.61 -1.69 -0.83 0.00 -0.82 -4.96 120.51 112.32 2rdm n ALA 121 Ca -0.02 -0.17 -0.40 0.00 0.00 0.00 0.00 53.44 52.84 2rdm n ALA 121 Cb 0.28 -1.41 0.02 0.00 0.00 0.00 0.00 19.45 18.35 2rdm n ALA 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2rdm n ARG 122 N -1.34 1.65 0.00 0.00 1.74 -1.05 -5.09 116.66 112.57 2rdm n ARG 122 Ca 0.10 0.60 0.00 0.00 -0.77 0.00 0.00 57.85 57.78 2rdm n ARG 122 Cb 0.30 -2.35 0.00 0.00 -1.02 0.00 0.00 32.46 29.39 2rdm n ARG 122 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20