#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d4o s PHE 3 N 0.00 1.26 0.21 -1.55 0.08 -1.26 -1.20 117.98 115.52 2d4o s PHE 3 Ca 0.00 -0.33 -0.20 0.00 0.12 0.00 0.00 56.93 56.51 2d4o s PHE 3 Cb 0.00 -0.87 0.04 0.00 -0.57 0.00 0.00 43.02 41.62 2d4o s PHE 3 CO 0.00 -0.12 0.61 -0.98 -0.10 0.00 0.00 175.22 174.63 2d4o s ARG 4 N 0.11 1.49 0.71 0.44 1.70 -0.65 -4.99 118.95 117.76 2d4o s ARG 4 Ca -0.03 -0.79 -0.15 0.00 -0.47 0.00 0.00 55.73 54.28 2d4o s ARG 4 Cb -0.10 0.57 0.03 0.00 -0.57 0.00 0.00 34.95 34.88 2d4o s ARG 4 CO 0.01 -0.65 1.20 -2.14 -1.08 0.00 0.00 175.30 172.64 2d4o s PRO 5 N -3.85 2.29 0.27 3.89 0.02 -1.26 -1.24 135.00 135.12 2d4o s PRO 5 Ca 0.07 1.74 0.07 0.00 0.02 0.00 0.00 61.00 62.91 2d4o s PRO 5 Cb -0.03 -1.85 -0.04 0.00 0.02 0.00 0.00 34.50 32.60 2d4o s PRO 5 CO -0.03 -1.71 0.20 -0.59 -0.33 0.00 0.00 177.00 174.54 2d4o s PHE 6 N -1.96 3.04 0.38 6.54 -0.12 -1.26 -4.75 117.98 119.84 2d4o s PHE 6 Ca 0.74 -0.15 0.03 0.00 -0.05 0.00 0.00 56.93 57.50 2d4o s PHE 6 Cb -0.29 -1.45 -0.01 0.00 -0.63 0.00 0.00 43.02 40.64 2d4o s PHE 6 CO 0.44 0.47 0.11 0.25 -0.05 0.00 0.00 175.22 176.44 2d4o n THR 7 N -1.19 0.00 0.18 -4.49 -2.24 -1.26 -4.80 114.28 100.48 2d4o n THR 7 Ca -0.07 -2.14 0.12 0.00 -2.27 0.00 0.00 64.05 59.70 2d4o n THR 7 Cb 0.58 0.72 0.66 0.00 -2.10 0.00 0.00 70.33 70.19 2d4o n THR 7 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2d4o h GLU 8 N 0.00 0.00 0.00 -0.78 5.08 -1.98 0.48 114.58 117.38 2d4o h GLU 8 Ca -0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 2d4o h GLU 8 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2d4o h GLU 8 CO 0.48 0.00 0.00 0.93 -1.00 0.00 0.00 179.01 179.42 2d4o h GLU 9 N 0.00 0.00 -0.28 2.33 4.39 -2.04 -2.65 114.58 116.34 2d4o h GLU 9 Ca 0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.78 2d4o h GLU 9 Cb 0.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2d4o h GLU 9 CO -0.00 0.00 0.00 -0.25 -1.16 0.00 0.00 179.01 177.60 2d4o n ASP 10 N -2.35 1.87 -0.17 1.42 8.00 0.16 -4.52 116.55 120.95 2d4o n ASP 10 Ca 0.01 -1.86 -0.02 0.00 0.71 0.00 0.00 54.79 53.63 2d4o n ASP 10 Cb 0.18 -0.18 0.07 0.00 -0.02 0.00 0.00 41.12 41.17 2d4o n ASP 10 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2d4o h LEU 11 N 2.24 -0.06 -0.72 0.64 5.85 -1.61 -1.12 115.31 120.54 2d4o h LEU 11 Ca 0.00 0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.73 2d4o h LEU 11 Cb 0.50 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 2d4o h LEU 11 CO 0.00 -0.00 -0.05 0.44 -0.34 0.00 0.00 178.44 178.49 2d4o h ASP 12 N 0.21 0.92 -0.17 1.25 3.32 -1.86 -1.64 116.42 118.43 2d4o h ASP 12 Ca 0.26 -0.27 0.04 0.00 0.02 0.00 0.00 57.03 57.09 2d4o h ASP 12 Cb 0.38 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 2d4o h ASP 12 CO -0.37 1.00 -0.05 0.03 -1.72 0.00 0.00 179.24 178.14 2d4o h ARG 13 N 0.85 -0.01 -0.63 3.56 3.08 -1.66 0.10 114.38 119.68 2d4o h ARG 13 Ca 0.15 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.13 2d4o h ARG 13 Cb 0.57 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.59 2d4o h ARG 13 CO 0.03 -0.01 0.12 -0.07 -1.07 0.00 0.00 179.97 178.97 2d4o h LEU 14 N -0.01 0.97 -0.77 3.04 4.07 -1.04 -2.70 115.31 118.88 2d4o h LEU 14 Ca 0.09 -0.22 -0.11 0.00 0.08 0.00 0.00 57.88 57.72 2d4o h LEU 14 Cb 0.14 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.61 2d4o h LEU 14 CO -0.18 0.96 -0.55 0.78 -1.08 0.00 0.00 178.44 178.37 2d4o h ASN 15 N 0.96 0.00 0.03 -0.43 2.35 -0.98 -1.42 115.58 116.09 2d4o h ASN 15 Ca 0.20 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.94 2d4o h ASN 15 Cb 0.40 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.77 2d4o h ASN 15 CO 0.01 0.55 -0.02 0.03 -1.65 0.00 0.00 177.43 176.34 2d4o h ARG 16 N 0.00 0.00 0.00 0.81 3.08 -0.47 -2.47 114.38 115.33 2d4o h ARG 16 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2d4o h ARG 16 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.12 2d4o h ARG 16 CO 0.07 0.02 -0.76 1.28 -1.07 0.00 0.00 179.97 179.51 2d4o n LEU 17 N -4.30 0.63 -0.14 3.04 4.77 -0.63 -4.55 117.00 115.82 2d4o n LEU 17 Ca -0.03 -0.04 0.14 0.00 -0.03 0.00 0.00 56.01 56.04 2d4o n LEU 17 Cb 0.11 -0.16 0.53 0.00 -2.33 0.00 0.00 43.42 41.57 2d4o n LEU 17 CO 0.32 0.09 0.79 0.00 -1.33 0.00 0.00 177.39 177.26 2d4o n ALA 18 N -1.65 2.87 -0.79 -1.18 0.00 -0.65 -4.85 120.51 114.27 2d4o n ALA 18 Ca 0.04 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2d4o n ALA 18 Cb 0.38 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.56 2d4o n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d4o n GLY 19 N 1.32 3.07 0.57 0.00 0.00 -1.26 -2.17 105.19 106.72 2d4o n GLY 19 Ca 0.13 -0.19 0.05 0.00 0.00 0.00 0.00 46.02 46.01 2d4o n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2d4o n LYS 20 N 14.00 1.72 -3.88 1.61 5.02 -1.26 -4.41 118.16 130.96 2d4o n LYS 20 Ca 0.00 -1.11 -0.28 0.00 -2.02 0.00 0.00 58.31 54.89 2d4o n LYS 20 Cb 0.00 -1.24 -0.12 0.00 -0.02 0.00 0.00 35.03 33.64 2d4o n LYS 20 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2d4o s ARG 21 N -1.59 2.26 0.83 1.97 0.52 -0.92 -5.11 118.95 116.91 2d4o s ARG 21 Ca 0.21 -3.11 -0.12 0.00 -0.52 0.00 0.00 55.73 52.19 2d4o s ARG 21 Cb 0.11 -3.26 0.10 0.00 0.52 0.00 0.00 34.95 32.41 2d4o s ARG 21 CO 0.14 -1.26 1.18 -2.14 0.02 0.00 0.00 175.30 173.25 2d4o s PRO 22 N -1.11 1.52 -0.23 3.54 0.02 -1.26 -4.79 135.00 132.70 2d4o s PRO 22 Ca 0.24 1.66 -0.10 0.00 0.02 0.00 0.00 61.00 62.82 2d4o s PRO 22 Cb -0.09 -1.77 -0.05 0.00 0.02 0.00 0.00 34.50 32.61 2d4o s PRO 22 CO -0.13 -2.28 0.14 0.08 -0.33 0.00 0.00 177.00 174.48 2d4o s VAL 23 N -2.33 5.29 0.61 3.83 1.01 -1.26 -5.11 120.40 122.45 2d4o s VAL 23 Ca 0.71 0.15 -0.10 0.00 0.00 0.00 0.00 61.98 62.74 2d4o s VAL 23 Cb -0.26 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 2d4o s VAL 23 CO 0.53 0.38 1.00 -0.94 0.00 0.00 0.00 175.10 176.07 2d4o s SER 24 N 0.84 6.08 0.20 3.32 1.04 -1.26 -4.90 113.70 119.02 2d4o s SER 24 Ca 0.07 1.28 -0.10 0.00 0.48 0.00 0.00 55.95 57.68 2d4o s SER 24 Cb -0.13 -2.32 0.13 0.00 0.10 0.00 0.00 66.02 63.80 2d4o s SER 24 CO 0.02 -0.91 1.79 0.25 0.98 0.00 0.00 173.24 175.37 2d4o h LEU 25 N -0.29 0.95 -0.50 2.42 5.85 -1.99 -1.20 115.31 120.55 2d4o h LEU 25 Ca -0.45 -0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.21 2d4o h LEU 25 Cb 1.20 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.93 2d4o h LEU 25 CO 0.62 0.81 0.16 1.23 -0.34 0.00 0.00 178.44 180.92 2d4o h GLY 26 N 1.02 0.65 1.02 3.75 0.00 -1.99 0.37 103.07 107.89 2d4o h GLY 26 Ca 0.25 -0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.45 2d4o h GLY 26 CO -0.03 -0.01 0.22 0.00 0.00 0.00 0.00 176.54 176.72 2d4o h ALA 27 N 1.35 0.86 -0.31 3.60 0.00 -1.86 -2.03 119.26 120.86 2d4o h ALA 27 Ca 0.24 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2d4o h ALA 27 Cb 0.28 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2d4o h ALA 27 CO -0.26 0.52 0.16 1.25 0.00 0.00 0.00 179.25 180.92 2d4o h LEU 28 N 0.95 0.25 -0.65 0.00 6.46 -0.67 -1.80 115.31 119.85 2d4o h LEU 28 Ca 0.21 0.01 -0.08 0.00 -0.12 0.00 0.00 57.88 57.91 2d4o h LEU 28 Cb 0.28 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.14 2d4o h LEU 28 CO -0.01 0.19 0.10 0.03 -0.62 0.00 0.00 178.44 178.13 2d4o h ARG 29 N 0.34 1.08 -0.06 1.25 3.08 -0.73 -0.08 114.38 119.26 2d4o h ARG 29 Ca 0.13 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.89 2d4o h ARG 29 Cb 0.03 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 2d4o h ARG 29 CO -0.08 0.99 0.03 0.35 -1.07 0.00 0.00 179.97 180.20 2d4o h PHE 30 N 0.99 0.06 0.00 3.04 3.04 -1.26 -3.15 116.94 119.67 2d4o h PHE 30 Ca 0.20 0.00 -0.09 0.00 3.98 0.00 0.00 57.97 62.06 2d4o h PHE 30 Cb 0.44 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.92 2d4o h PHE 30 CO 0.03 0.04 -0.44 0.74 -2.02 0.00 0.00 178.31 176.65 2d4o h PHE 31 N 0.07 0.00 0.00 0.41 0.04 -1.04 -2.71 116.94 113.71 2d4o h PHE 31 Ca 0.03 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.75 2d4o h PHE 31 Cb 0.00 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 2d4o h PHE 31 CO -0.08 0.44 -0.23 0.00 -0.60 0.00 0.00 178.31 177.84 2d4o h ALA 32 N 1.56 1.23 -0.00 2.45 0.00 -1.02 -2.90 119.26 120.57 2d4o h ALA 32 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2d4o h ALA 32 Cb 1.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2d4o h ALA 32 CO 0.06 0.29 -0.17 0.54 0.00 0.00 0.00 179.25 179.97 2d4o n ARG 33 N -3.71 0.18 0.12 0.00 1.74 -1.02 -4.30 116.66 109.67 2d4o n ARG 33 Ca -0.01 -0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 2d4o n ARG 33 Cb 0.35 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.31 2d4o n ARG 33 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 2d4o h THR 34 N 0.13 1.10 0.00 0.55 1.35 -1.58 -3.47 112.91 110.99 2d4o h THR 34 Ca 0.00 -2.46 0.00 0.00 -0.55 0.00 0.00 66.41 63.40 2d4o h THR 34 Cb 0.46 2.48 0.00 0.00 -1.73 0.00 0.00 68.15 69.36 2d4o h THR 34 CO 0.00 0.61 0.00 0.61 -0.25 0.00 0.00 175.52 176.49 2d4o n GLY 35 N 1.15 0.66 0.00 5.82 0.00 -1.26 -4.88 105.19 106.68 2d4o n GLY 35 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2d4o n GLY 35 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2d4o n HIS 36 N -2.65 0.00 -4.46 1.61 8.25 -1.26 -4.86 115.22 111.85 2d4o n HIS 36 Ca 0.00 -0.17 -0.34 0.00 -0.26 0.00 0.00 57.72 56.95 2d4o n HIS 36 Cb 0.00 -0.02 -0.10 0.00 1.12 0.00 0.00 29.99 30.99 2d4o n HIS 36 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2d4o s SER 37 N -0.34 4.97 0.13 0.41 0.01 -1.26 -4.26 113.70 113.36 2d4o s SER 37 Ca 0.00 0.05 -0.07 0.00 1.31 0.00 0.00 55.95 57.24 2d4o s SER 37 Cb 0.00 -1.32 -0.02 0.00 0.21 0.00 0.00 66.02 64.89 2d4o s SER 37 CO 0.00 0.36 0.20 -0.36 0.41 0.00 0.00 173.24 173.84 2d4o s PHE 38 N -0.89 0.44 -0.00 2.43 0.08 -0.69 -4.51 117.98 114.85 2d4o s PHE 38 Ca 0.14 -0.84 0.05 0.00 0.12 0.00 0.00 56.93 56.41 2d4o s PHE 38 Cb -0.11 -0.16 -0.01 0.00 -0.57 0.00 0.00 43.02 42.16 2d4o s PHE 38 CO 0.03 -0.62 -0.17 -1.17 -0.10 0.00 0.00 175.22 173.20 2d4o s LEU 39 N -2.96 2.05 -0.11 -0.37 2.96 -0.37 -0.40 118.68 119.49 2d4o s LEU 39 Ca 0.15 -0.33 -0.03 0.00 -0.22 0.00 0.00 54.13 53.70 2d4o s LEU 39 Cb 0.05 -0.84 -0.03 0.00 0.50 0.00 0.00 46.19 45.86 2d4o s LEU 39 CO -0.03 0.19 -0.00 0.00 -1.32 0.00 0.00 176.35 175.18 2d4o s ALA 40 N -0.46 3.23 -0.02 5.97 0.00 0.04 -1.63 121.76 128.89 2d4o s ALA 40 Ca 0.06 -0.81 -0.03 0.00 0.00 0.00 0.00 51.96 51.18 2d4o s ALA 40 Cb -0.07 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.53 2d4o s ALA 40 CO -0.00 0.47 0.08 -1.83 0.00 0.00 0.00 175.76 174.47 2d4o s GLU 41 N -0.49 0.18 -0.39 0.00 -1.05 -0.34 -2.46 118.70 114.15 2d4o s GLU 41 Ca 0.09 -0.06 -0.10 0.00 -0.15 0.00 0.00 54.97 54.75 2d4o s GLU 41 Cb -0.12 0.08 0.05 0.00 -0.44 0.00 0.00 34.13 33.70 2d4o s GLU 41 CO 0.02 -0.03 0.22 -2.00 0.95 0.00 0.00 175.26 174.42 2d4o s GLU 42 N -0.37 2.70 7.65 -4.83 2.56 0.09 -0.03 118.70 126.46 2d4o s GLU 42 Ca -0.04 -1.27 0.00 0.00 0.00 0.00 0.00 54.97 53.65 2d4o s GLU 42 Cb -0.03 -3.73 0.00 0.00 2.00 0.00 0.00 34.13 32.37 2d4o s GLU 42 CO 0.00 -0.82 0.00 0.41 -0.56 0.00 0.00 175.26 174.29 2d4o n GLY 43 N 4.94 3.58 0.13 -1.50 0.00 -1.26 -1.49 105.19 109.58 2d4o n GLY 43 Ca -0.11 -0.09 0.14 0.00 0.00 0.00 0.00 46.02 45.95 2d4o n GLY 43 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2d4o n GLU 44 N 14.00 0.63 -3.06 1.61 1.02 -1.26 -4.87 120.64 128.71 2d4o n GLU 44 Ca 0.00 -0.26 -0.40 0.00 -0.02 0.00 0.00 57.16 56.48 2d4o n GLU 44 Cb 0.00 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 29.87 2d4o n GLU 44 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2d4o s GLU 45 N -2.54 4.26 1.09 3.49 2.56 -0.56 -5.08 118.70 121.92 2d4o s GLU 45 Ca 0.26 0.74 -0.12 0.00 0.00 0.00 0.00 54.97 55.85 2d4o s GLU 45 Cb 0.20 -3.56 0.24 0.00 2.00 0.00 0.00 34.13 33.01 2d4o s GLU 45 CO 0.50 -0.23 1.06 -1.25 -0.56 0.00 0.00 175.26 174.78 2d4o s PRO 46 N 1.85 -0.32 0.82 4.30 0.04 -1.26 -0.73 135.00 139.69 2d4o s PRO 46 Ca 0.32 0.79 -0.12 0.00 0.04 0.00 0.00 61.00 62.03 2d4o s PRO 46 Cb -0.16 -1.63 0.08 0.00 0.04 0.00 0.00 34.50 32.84 2d4o s PRO 46 CO 0.11 -3.31 1.14 0.20 0.04 0.00 0.00 177.00 175.19 2d4o s GLY 48 N -2.85 1.60 0.09 0.56 0.00 -1.03 -4.83 107.32 100.85 2d4o s GLY 48 Ca 0.67 -0.50 -0.12 0.00 0.00 0.00 0.00 44.72 44.77 2d4o s GLY 48 CO 0.62 -0.02 0.27 -0.11 0.00 0.00 0.00 173.10 173.85 2d4o s PHE 49 N -3.40 0.00 -0.06 1.90 -0.12 -0.54 -0.78 117.98 114.99 2d4o s PHE 49 Ca 0.62 -0.33 0.01 0.00 -0.05 0.00 0.00 56.93 57.17 2d4o s PHE 49 Cb -0.13 0.05 0.02 0.00 -0.63 0.00 0.00 43.02 42.34 2d4o s PHE 49 CO 0.51 -0.57 -0.04 0.00 -0.05 0.00 0.00 175.22 175.07 2d4o s ALA 50 N -3.50 0.77 -0.23 1.99 0.00 0.47 -1.60 121.76 119.66 2d4o s ALA 50 Ca 0.02 -0.13 -0.06 0.00 0.00 0.00 0.00 51.96 51.79 2d4o s ALA 50 Cb 0.03 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 2d4o s ALA 50 CO -0.09 -0.11 0.02 -0.51 0.00 0.00 0.00 175.76 175.06 2d4o s LEU 51 N 1.13 3.22 0.10 0.00 1.43 0.03 -1.70 118.68 122.90 2d4o s LEU 51 Ca -0.07 -0.26 -0.15 0.00 -1.03 0.00 0.00 54.13 52.61 2d4o s LEU 51 Cb -0.14 -1.84 0.03 0.00 0.03 0.00 0.00 46.19 44.27 2d4o s LEU 51 CO -0.01 -0.01 0.36 0.00 0.23 0.00 0.00 176.35 176.93 2d4o s ALA 52 N 1.42 -0.82 0.12 4.21 0.00 -1.26 -0.77 121.76 124.66 2d4o s ALA 52 Ca 0.05 -0.08 -0.14 0.00 0.00 0.00 0.00 51.96 51.80 2d4o s ALA 52 Cb -0.15 0.59 0.02 0.00 0.00 0.00 0.00 23.12 23.58 2d4o s ALA 52 CO 0.01 -0.58 0.34 1.14 0.00 0.00 0.00 175.76 176.67 2d4o s GLN 53 N -3.53 1.04 -0.00 0.00 -2.07 -0.82 -4.24 119.66 110.05 2d4o s GLN 53 Ca 0.01 -0.83 -0.25 0.00 -1.82 0.00 0.00 55.36 52.48 2d4o s GLN 53 Cb 0.02 0.43 -0.04 0.00 -1.09 0.00 0.00 33.01 32.32 2d4o s GLN 53 CO -0.10 -0.39 0.77 0.00 -1.32 0.00 0.00 175.29 174.25 2d4o s ALA 54 N -3.84 3.33 -0.21 2.60 0.00 -1.26 -1.20 121.76 121.18 2d4o s ALA 54 Ca 0.05 0.26 0.01 0.00 0.00 0.00 0.00 51.96 52.28 2d4o s ALA 54 Cb 0.03 -3.02 0.05 0.00 0.00 0.00 0.00 23.12 20.17 2d4o s ALA 54 CO -0.10 -0.03 -0.07 0.08 0.00 0.00 0.00 175.76 175.63 2d4o s VAL 55 N 0.38 1.53 0.16 0.00 1.01 0.34 -4.96 120.40 118.86 2d4o s VAL 55 Ca 0.40 -1.06 -0.31 0.00 0.00 0.00 0.00 61.98 61.01 2d4o s VAL 55 Cb -0.20 -1.70 -0.09 0.00 0.00 0.00 0.00 36.38 34.39 2d4o s VAL 55 CO 0.22 0.05 1.45 0.86 0.00 0.00 0.00 175.10 177.67 2d4o s TRP 56 N 1.42 3.16 -0.25 5.22 -0.11 -1.26 -1.07 118.94 126.04 2d4o s TRP 56 Ca -0.03 0.87 0.12 0.00 1.22 0.00 0.00 56.10 58.28 2d4o s TRP 56 Cb -0.17 -3.78 0.27 0.00 -1.50 0.00 0.00 33.47 28.29 2d4o s TRP 56 CO -0.07 -2.73 1.19 1.04 -4.62 0.00 0.00 176.95 171.76 2d4o n GLN 57 N 3.65 2.40 0.00 5.86 6.02 -0.36 -4.97 117.38 129.98 2d4o n GLN 57 Ca 0.11 -2.26 0.00 0.00 -0.01 0.00 0.00 57.00 54.84 2d4o n GLN 57 Cb 0.41 -1.41 0.00 0.00 1.02 0.00 0.00 30.24 30.26 2d4o n GLN 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2d4o n GLY 58 N -0.63 3.15 0.00 1.08 0.00 -1.26 -4.74 105.19 102.79 2d4o n GLY 58 Ca 0.12 -1.05 0.01 0.00 0.00 0.00 0.00 46.02 45.10 2d4o n GLY 58 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2d4o n GLU 59 N 0.00 1.04 -3.66 1.61 -0.58 -1.26 -5.10 120.64 112.69 2d4o n GLU 59 Ca 0.00 -0.01 -0.08 0.00 -0.42 0.00 0.00 57.16 56.65 2d4o n GLU 59 Cb 0.00 -0.96 -0.02 0.00 -0.57 0.00 0.00 31.44 29.89 2d4o n GLU 59 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2d4o s ALA 60 N -1.95 -1.49 -0.14 0.62 0.00 -1.26 -5.13 121.76 112.40 2d4o s ALA 60 Ca -0.00 0.18 -0.09 0.00 0.00 0.00 0.00 51.96 52.05 2d4o s ALA 60 Cb 0.01 0.77 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 2d4o s ALA 60 CO 0.06 -0.91 0.16 0.99 0.00 0.00 0.00 175.76 176.06 2d4o s THR 61 N -3.65 5.44 -0.14 0.00 2.01 -1.26 -1.22 115.64 116.83 2d4o s THR 61 Ca 0.07 0.26 -0.04 0.00 0.31 0.00 0.00 61.69 62.30 2d4o s THR 61 Cb -0.03 -3.45 -0.03 0.00 0.01 0.00 0.00 72.50 69.00 2d4o s THR 61 CO -0.02 0.55 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.55 2d4o s THR 62 N -0.55 4.04 -0.40 -0.82 2.01 -0.24 -1.67 115.64 118.02 2d4o s THR 62 Ca 0.14 -0.31 -0.23 0.00 0.31 0.00 0.00 61.69 61.59 2d4o s THR 62 Cb -0.12 -2.76 0.02 0.00 0.01 0.00 0.00 72.50 69.65 2d4o s THR 62 CO 0.03 0.51 0.76 -0.69 -0.69 0.00 0.00 174.62 174.54 2d4o s VAL 63 N 0.10 4.72 -0.24 3.82 1.01 0.03 -0.50 120.40 129.33 2d4o s VAL 63 Ca 0.00 0.61 -0.15 0.00 0.00 0.00 0.00 61.98 62.45 2d4o s VAL 63 Cb -0.13 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 2d4o s VAL 63 CO 0.02 -0.55 0.36 -0.22 0.00 0.00 0.00 175.10 174.71 2d4o s LEU 64 N 3.13 4.10 -0.44 3.92 2.96 -0.34 -0.64 118.68 131.36 2d4o s LEU 64 Ca 0.29 0.37 -0.22 0.00 -0.22 0.00 0.00 54.13 54.35 2d4o s LEU 64 Cb -0.13 -2.43 0.02 0.00 0.50 0.00 0.00 46.19 44.16 2d4o s LEU 64 CO 0.19 -0.11 0.74 -0.69 -1.32 0.00 0.00 176.35 175.17 2d4o s VAL 65 N 1.64 4.70 0.14 1.68 1.01 -0.09 -1.93 120.40 127.55 2d4o s VAL 65 Ca 0.16 0.35 -0.14 0.00 0.00 0.00 0.00 61.98 62.35 2d4o s VAL 65 Cb -0.15 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 31.95 2d4o s VAL 65 CO 0.08 -0.67 1.62 0.74 0.00 0.00 0.00 175.10 176.87 2d4o h THR 66 N 5.94 1.25 -3.68 3.92 2.02 -1.28 -3.40 112.91 117.68 2d4o h THR 66 Ca -0.25 -0.91 -0.22 0.00 0.77 0.00 0.00 66.41 65.80 2d4o h THR 66 Cb 1.09 0.97 -0.05 0.00 -1.74 0.00 0.00 68.15 68.42 2d4o h THR 66 CO 0.94 0.32 -0.09 -1.14 0.37 0.00 0.00 175.52 175.91 2d4o n ARG 67 N -4.46 0.66 0.00 6.66 0.63 -1.14 -4.96 116.66 114.05 2d4o n ARG 67 Ca 0.00 -2.41 0.00 0.00 -0.92 0.00 0.00 57.85 54.53 2d4o n ARG 67 Cb 0.25 2.38 0.00 0.00 0.45 0.00 0.00 32.46 35.53 2d4o n ARG 67 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2d4o n GLU 69 N -0.50 0.00 -3.65 -0.14 -0.58 -0.63 -0.79 120.64 114.36 2d4o n GLU 69 Ca -0.00 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.70 2d4o n GLU 69 Cb 0.52 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 31.32 2d4o n GLU 69 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2d4o s GLY 70 N 0.00 0.25 0.00 0.62 0.00 -1.26 -1.47 107.32 105.46 2d4o s GLY 70 Ca 0.00 3.35 0.25 0.00 0.00 0.00 0.00 44.72 48.33 2d4o s GLY 70 CO 0.00 1.94 1.41 0.54 0.00 0.00 0.00 173.10 177.00 2d4o n ARG 71 N 1.76 1.43 -3.67 2.90 1.74 -1.26 -4.91 116.66 114.65 2d4o n ARG 71 Ca -0.11 -1.03 -0.12 0.00 -0.77 0.00 0.00 57.85 55.82 2d4o n ARG 71 Cb 0.57 -1.48 -0.06 0.00 -1.02 0.00 0.00 32.46 30.47 2d4o n ARG 71 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2d4o s SER 72 N -2.28 -0.23 0.26 0.55 1.04 -1.26 -5.03 113.70 106.75 2d4o s SER 72 Ca 0.27 -0.14 -0.02 0.00 0.48 0.00 0.00 55.95 56.54 2d4o s SER 72 Cb 0.19 0.43 0.46 0.00 0.10 0.00 0.00 66.02 67.20 2d4o s SER 72 CO 0.45 -0.71 1.84 0.58 0.98 0.00 0.00 173.24 176.37 2d4o h VAL 73 N 2.84 0.96 -0.78 5.02 2.07 -1.91 -1.82 116.25 122.64 2d4o h VAL 73 Ca -0.32 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 66.89 2d4o h VAL 73 Cb 1.22 -0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 2d4o h VAL 73 CO 0.45 0.17 0.50 -0.08 0.02 0.00 0.00 177.57 178.64 2d4o h GLU 74 N 0.96 0.96 -0.38 1.57 4.81 -1.96 0.79 114.58 121.32 2d4o h GLU 74 Ca 0.44 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.57 2d4o h GLU 74 Cb 0.36 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 2d4o h GLU 74 CO -0.24 0.63 0.05 0.00 -0.73 0.00 0.00 179.01 178.73 2d4o h ALA 75 N 1.32 0.51 -0.43 2.92 0.00 -1.81 -1.58 119.26 120.19 2d4o h ALA 75 Ca 0.30 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2d4o h ALA 75 Cb -0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2d4o h ALA 75 CO -0.10 0.23 0.05 -0.07 0.00 0.00 0.00 179.25 179.36 2d4o h LEU 76 N 0.48 0.69 -0.58 0.00 3.38 -1.02 -1.19 115.31 117.08 2d4o h LEU 76 Ca 0.12 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.83 2d4o h LEU 76 Cb 0.38 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2d4o h LEU 76 CO 0.01 0.79 0.37 0.03 0.09 0.00 0.00 178.44 179.73 2d4o h ARG 77 N 0.57 0.73 -0.12 1.13 3.08 -0.80 -0.40 114.38 118.58 2d4o h ARG 77 Ca 0.13 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 60.03 2d4o h ARG 77 Cb 0.40 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 2d4o h ARG 77 CO 0.01 0.49 -0.38 0.78 -1.07 0.00 0.00 179.97 179.80 2d4o h GLY 78 N 0.76 0.28 0.99 0.04 0.00 -0.97 -0.41 103.07 103.76 2d4o h GLY 78 Ca 0.22 -0.26 -0.12 0.00 0.00 0.00 0.00 47.33 47.17 2d4o h GLY 78 CO -0.06 0.24 -0.26 1.41 0.00 0.00 0.00 176.54 177.87 2d4o h LEU 79 N 0.22 0.79 -0.71 3.11 3.38 -0.89 -1.31 115.31 119.90 2d4o h LEU 79 Ca 0.02 -0.45 0.03 0.00 0.09 0.00 0.00 57.88 57.57 2d4o h LEU 79 Cb 0.78 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 2d4o h LEU 79 CO 0.06 1.07 0.45 -0.07 0.09 0.00 0.00 178.44 180.04 2d4o h LEU 80 N 0.51 0.74 -0.74 1.67 3.38 -0.72 -0.11 115.31 120.04 2d4o h LEU 80 Ca 0.06 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 2d4o h LEU 80 Cb 0.82 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 2d4o h LEU 80 CO 0.07 0.51 0.08 0.03 0.09 0.00 0.00 178.44 179.22 2d4o h ARG 81 N 0.88 1.04 -0.30 1.13 3.08 -0.81 0.13 114.38 119.52 2d4o h ARG 81 Ca 0.28 -0.28 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 2d4o h ARG 81 Cb 0.01 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 2d4o h ARG 81 CO -0.10 0.97 -0.03 0.00 -1.07 0.00 0.00 179.97 179.73 2d4o h ALA 82 N 1.11 0.41 -0.40 0.04 0.00 -0.77 -0.17 119.26 119.48 2d4o h ALA 82 Ca 0.19 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2d4o h ALA 82 Cb 0.45 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2d4o h ALA 82 CO 0.02 0.19 0.24 0.28 0.00 0.00 0.00 179.25 179.97 2d4o h VAL 83 N 0.33 1.13 -0.66 0.00 2.07 -0.68 -1.60 116.25 116.83 2d4o h VAL 83 Ca 0.08 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 2d4o h VAL 83 Cb 0.49 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 2d4o h VAL 83 CO 0.02 0.13 0.38 0.58 0.02 0.00 0.00 177.57 178.70 2d4o h VAL 84 N 0.52 1.20 -0.61 2.57 2.07 -0.59 -0.46 116.25 120.94 2d4o h VAL 84 Ca 0.14 -0.47 -0.08 0.00 0.82 0.00 0.00 66.70 67.11 2d4o h VAL 84 Cb 0.00 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 2d4o h VAL 84 CO -0.03 0.21 0.08 0.50 0.02 0.00 0.00 177.57 178.36 2d4o h LYS 85 N 0.90 1.01 -0.29 1.57 3.64 -0.92 0.29 116.57 122.78 2d4o h LYS 85 Ca 0.24 -0.27 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 2d4o h LYS 85 Cb 0.01 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 2d4o h LYS 85 CO -0.04 0.94 -0.20 0.66 -2.27 0.00 0.00 179.45 178.53 2d4o h SER 86 N 0.94 0.54 -0.14 4.20 4.64 -0.76 -1.22 113.55 121.75 2d4o h SER 86 Ca 0.19 -0.17 -0.04 0.00 -0.47 0.00 0.00 61.79 61.30 2d4o h SER 86 Cb 0.44 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2d4o h SER 86 CO 0.01 0.75 -0.07 0.00 -0.87 0.00 0.00 176.83 176.65 2d4o h ALA 87 N 1.30 0.20 -0.21 5.18 0.00 -0.77 -3.06 119.26 121.90 2d4o h ALA 87 Ca 0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2d4o h ALA 87 Cb 0.62 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2d4o h ALA 87 CO 0.04 -0.01 0.10 -0.92 0.00 0.00 0.00 179.25 178.47 2d4o h TYR 88 N -0.04 0.30 0.00 0.00 3.20 -0.13 -0.88 116.97 119.42 2d4o h TYR 88 Ca 0.03 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 2d4o h TYR 88 Cb 0.53 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.71 2d4o h TYR 88 CO 0.06 0.30 -0.04 -0.44 -1.64 0.00 0.00 178.16 176.41 2d4o h ASP 89 N 0.20 0.00 -0.20 -2.11 3.32 -1.32 -0.92 116.42 115.39 2d4o h ASP 89 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2d4o h ASP 89 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 2d4o h ASP 89 CO -0.01 0.04 0.00 0.00 -1.72 0.00 0.00 179.24 177.55 2d4o n ALA 90 N -2.46 2.51 -1.29 3.45 0.00 -0.90 -4.94 120.51 116.87 2d4o n ALA 90 Ca -0.03 -0.55 -0.09 0.00 0.00 0.00 0.00 53.44 52.77 2d4o n ALA 90 Cb 0.12 -1.07 -0.04 0.00 0.00 0.00 0.00 19.45 18.47 2d4o n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d4o n GLY 91 N 1.13 1.08 3.75 0.00 0.00 -0.35 -4.99 105.19 105.81 2d4o n GLY 91 Ca 0.16 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 2d4o n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2d4o s VAL 92 N -2.35 3.51 0.14 1.61 1.01 -0.39 -4.89 120.40 119.04 2d4o s VAL 92 Ca 0.00 1.36 -0.08 0.00 0.00 0.00 0.00 61.98 63.25 2d4o s VAL 92 Cb 0.00 -3.86 -0.12 0.00 0.00 0.00 0.00 36.38 32.40 2d4o s VAL 92 CO 0.00 0.26 1.38 0.22 0.00 0.00 0.00 175.10 176.96 2d4o h TYR 93 N 4.67 0.90 -3.37 5.22 3.20 -1.64 -3.42 116.97 122.53 2d4o h TYR 93 Ca -0.45 -0.37 -0.04 0.00 3.14 0.00 0.00 58.73 61.00 2d4o h TYR 93 Cb 1.21 -0.15 -0.12 0.00 1.54 0.00 0.00 36.73 39.22 2d4o h TYR 93 CO 0.61 1.17 -0.03 -1.83 -1.64 0.00 0.00 178.16 176.44 2d4o s GLU 94 N -3.81 1.22 -0.10 1.82 -1.05 -1.18 -5.06 118.70 110.52 2d4o s GLU 94 Ca -0.09 -0.80 0.03 0.00 -0.15 0.00 0.00 54.97 53.96 2d4o s GLU 94 Cb 0.10 0.49 -0.01 0.00 -0.44 0.00 0.00 34.13 34.27 2d4o s GLU 94 CO 0.88 -0.49 -0.20 0.08 0.95 0.00 0.00 175.26 176.47 2d4o s VAL 95 N -3.84 2.45 0.05 1.83 1.01 -1.26 -0.79 120.40 119.84 2d4o s VAL 95 Ca 0.06 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.21 2d4o s VAL 95 Cb 0.01 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 2d4o s VAL 95 CO -0.07 0.55 -0.14 0.00 0.00 0.00 0.00 175.10 175.43 2d4o s ALA 96 N 0.24 1.19 0.21 5.51 0.00 0.18 -4.94 121.76 124.15 2d4o s ALA 96 Ca -0.13 -0.87 -0.16 0.00 0.00 0.00 0.00 51.96 50.80 2d4o s ALA 96 Cb -0.16 -0.17 0.02 0.00 0.00 0.00 0.00 23.12 22.80 2d4o s ALA 96 CO 0.07 0.21 0.49 -0.48 0.00 0.00 0.00 175.76 176.06 2d4o s LEU 97 N -1.27 0.22 -0.22 0.00 2.34 -1.26 -0.91 118.68 117.58 2d4o s LEU 97 Ca 0.01 -0.63 -0.08 0.00 0.06 0.00 0.00 54.13 53.49 2d4o s LEU 97 Cb -0.08 1.98 -0.04 0.00 -0.56 0.00 0.00 46.19 47.49 2d4o s LEU 97 CO 0.01 -1.07 0.09 -1.00 -1.06 0.00 0.00 176.35 173.33 2d4o s HIS 98 N -3.92 3.21 -0.25 3.48 3.76 -1.26 -5.04 115.29 115.28 2d4o s HIS 98 Ca 0.13 -0.03 -0.09 0.00 -0.15 0.00 0.00 55.06 54.92 2d4o s HIS 98 Cb -0.01 -2.18 -0.04 0.00 1.11 0.00 0.00 32.58 31.46 2d4o s HIS 98 CO 0.00 -0.03 0.12 -1.17 -0.85 0.00 0.00 174.74 172.82 2d4o s LEU 99 N 0.94 3.82 -0.24 0.89 2.96 -1.26 -5.06 118.68 120.72 2d4o s LEU 99 Ca 0.05 -0.03 -0.28 0.00 -0.22 0.00 0.00 54.13 53.64 2d4o s LEU 99 Cb -0.14 -2.03 0.01 0.00 0.50 0.00 0.00 46.19 44.53 2d4o s LEU 99 CO 0.03 0.02 1.02 -0.62 -1.32 0.00 0.00 176.35 175.47 2d4o s ASP 100 N 1.34 7.04 0.60 3.68 -1.08 -1.26 -4.92 116.67 122.07 2d4o s ASP 100 Ca 0.06 1.29 0.40 0.00 -0.52 0.00 0.00 52.55 53.78 2d4o s ASP 100 Cb -0.15 -2.53 2.16 0.00 -1.46 0.00 0.00 42.92 40.95 2d4o s ASP 100 CO 0.06 -0.68 2.22 -0.65 0.52 0.00 0.00 175.17 176.64 2d4o h PRO 101 N 7.56 0.00 0.00 4.34 0.11 -2.04 -0.78 132.00 141.19 2d4o h PRO 101 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 2d4o h PRO 101 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2d4o h PRO 101 CO 0.97 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 179.15 2d4o n GLU 102 N -2.91 0.14 -2.87 1.05 -0.58 -1.26 -4.57 120.64 109.64 2d4o n GLU 102 Ca -0.03 0.18 -0.43 0.00 -0.42 0.00 0.00 57.16 56.46 2d4o n GLU 102 Cb 0.07 -1.68 -0.03 0.00 -0.57 0.00 0.00 31.44 29.23 2d4o n GLU 102 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2d4o s ARG 103 N -3.09 3.49 0.09 3.49 0.52 -0.30 -4.84 118.95 118.31 2d4o s ARG 103 Ca 0.10 -1.48 -0.03 0.00 -0.52 0.00 0.00 55.73 53.81 2d4o s ARG 103 Cb 0.14 -4.82 -0.24 0.00 0.52 0.00 0.00 34.95 30.55 2d4o s ARG 103 CO 0.51 -1.84 1.18 0.87 0.02 0.00 0.00 175.30 176.04 2d4o h LYS 104 N 9.12 0.26 -0.27 3.54 1.79 -1.86 -1.71 116.57 127.44 2d4o h LYS 104 Ca 0.06 -0.41 -0.02 0.00 -2.18 0.00 0.00 60.65 58.10 2d4o h LYS 104 Cb 1.03 0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.82 2d4o h LYS 104 CO 1.16 1.18 0.08 0.93 -1.08 0.00 0.00 179.45 181.72 2d4o h GLU 105 N 0.09 0.42 -0.83 3.15 5.08 -1.98 -1.43 114.58 119.08 2d4o h GLU 105 Ca -0.11 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.12 2d4o h GLU 105 Cb 1.89 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 31.04 2d4o h GLU 105 CO 0.19 0.50 0.41 1.25 -1.00 0.00 0.00 179.01 180.36 2d4o h LEU 106 N 0.27 1.07 -0.19 1.33 5.85 -1.94 -0.66 115.31 121.05 2d4o h LEU 106 Ca 0.09 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.70 2d4o h LEU 106 Cb 0.25 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 2d4o h LEU 106 CO -0.00 0.89 0.09 -0.08 -0.34 0.00 0.00 178.44 179.00 2d4o h GLU 107 N 1.18 0.19 -0.44 1.25 4.81 -1.11 -0.02 114.58 120.44 2d4o h GLU 107 Ca 0.29 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.54 2d4o h GLU 107 Cb 0.09 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 2d4o h GLU 107 CO -0.04 0.12 0.24 1.49 -0.73 0.00 0.00 179.01 180.09 2d4o h GLU 108 N 0.19 0.46 -0.56 1.92 4.81 -1.02 -2.38 114.58 118.02 2d4o h GLU 108 Ca 0.08 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 2d4o h GLU 108 Cb 0.02 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 2d4o h GLU 108 CO -0.05 0.31 0.15 0.00 -0.73 0.00 0.00 179.01 178.68 2d4o h ALA 109 N 1.22 0.73 -0.07 2.92 0.00 -0.74 -1.64 119.26 121.68 2d4o h ALA 109 Ca 0.18 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2d4o h ALA 109 Cb 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2d4o h ALA 109 CO -0.11 0.43 -0.02 -0.07 0.00 0.00 0.00 179.25 179.48 2d4o h LEU 110 N 0.79 -0.06 -0.60 0.00 3.38 -0.82 -1.18 115.31 116.83 2d4o h LEU 110 Ca 0.18 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.23 2d4o h LEU 110 Cb 0.33 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 2d4o h LEU 110 CO -0.00 -0.02 0.30 0.11 0.09 0.00 0.00 178.44 178.92 2d4o h LYS 111 N 0.00 0.55 0.00 1.13 1.57 -1.39 -0.75 116.57 117.68 2d4o h LYS 111 Ca 0.03 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2d4o h LYS 111 Cb 0.05 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2d4o h LYS 111 CO -0.07 0.36 -0.25 0.00 -0.57 0.00 0.00 179.45 178.93 2d4o h ALA 112 N 1.33 1.40 -0.61 3.86 0.00 -1.00 -2.61 119.26 121.64 2d4o h ALA 112 Ca 0.27 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 2d4o h ALA 112 Cb 0.20 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 2d4o h ALA 112 CO -0.19 0.31 0.09 0.39 0.00 0.00 0.00 179.25 179.85 2d4o n GLU 113 N -3.97 4.37 -1.48 0.00 -0.58 -0.47 -4.95 120.64 113.56 2d4o n GLU 113 Ca -0.02 -3.13 -0.00 0.00 -0.42 0.00 0.00 57.16 53.59 2d4o n GLU 113 Cb 0.32 -2.23 -0.00 0.00 -0.57 0.00 0.00 31.44 28.97 2d4o n GLU 113 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2d4o n GLY 114 N 0.27 0.38 3.80 0.62 0.00 -0.86 -5.02 105.19 104.38 2d4o n GLY 114 Ca 0.32 -0.99 -0.39 0.00 0.00 0.00 0.00 46.02 44.96 2d4o n GLY 114 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2d4o s PHE 115 N -2.01 3.76 -0.04 1.61 0.40 -0.36 -5.02 117.98 116.33 2d4o s PHE 115 Ca 0.00 1.22 -0.28 0.00 -0.60 0.00 0.00 56.93 57.27 2d4o s PHE 115 Cb 0.00 -2.51 -0.03 0.00 0.51 0.00 0.00 43.02 40.99 2d4o s PHE 115 CO 0.00 0.52 0.91 0.00 0.70 0.00 0.00 175.22 177.36 2d4o s ALA 116 N -0.83 3.25 -0.27 5.36 0.00 -1.26 -4.44 121.76 123.56 2d4o s ALA 116 Ca 0.29 0.40 -0.10 0.00 0.00 0.00 0.00 51.96 52.55 2d4o s ALA 116 Cb -0.19 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 2d4o s ALA 116 CO 0.18 -0.28 0.14 -0.51 0.00 0.00 0.00 175.76 175.29 2d4o s LEU 117 N 1.17 3.82 0.00 0.00 1.43 -1.26 -4.96 118.68 118.88 2d4o s LEU 117 Ca 0.48 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 2d4o s LEU 117 Cb -0.20 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 43.99 2d4o s LEU 117 CO 0.24 -0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.36 2d4o n GLY 118 N 5.00 -1.61 0.41 -3.19 0.00 -1.26 -4.93 105.19 99.61 2d4o n GLY 118 Ca -0.15 -1.18 0.14 0.00 0.00 0.00 0.00 46.02 44.82 2d4o n GLY 118 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d4o n PRO 119 N -2.34 1.57 -2.34 1.61 -0.04 -1.26 -5.10 135.00 127.09 2d4o n PRO 119 Ca 0.00 -0.83 -0.37 0.00 -0.04 0.00 0.00 63.50 62.27 2d4o n PRO 119 Cb 0.23 -1.47 -0.02 0.00 -0.04 0.00 0.00 33.50 32.20 2d4o n PRO 119 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2d4o s LEU 120 N -1.94 4.10 0.00 1.53 1.02 -1.26 -5.03 118.68 117.10 2d4o s LEU 120 Ca 0.38 2.25 0.07 0.00 0.02 0.00 0.00 54.13 56.85 2d4o s LEU 120 Cb 0.21 -4.16 -0.02 0.00 0.02 0.00 0.00 46.19 42.23 2d4o s LEU 120 CO 0.33 -0.74 -0.21 -0.69 0.02 0.00 0.00 176.35 175.06 2d4o s VAL 121 N -1.54 1.67 -0.06 -1.59 1.01 -1.26 -5.11 120.40 113.53 2d4o s VAL 121 Ca 0.60 -0.98 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 2d4o s VAL 121 Cb -0.28 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 2d4o s VAL 121 CO 0.34 0.40 1.19 -0.22 0.00 0.00 0.00 175.10 176.81 2d4o s LEU 122 N -0.69 4.27 -0.15 3.92 2.96 -1.26 -5.03 118.68 122.70 2d4o s LEU 122 Ca 0.08 1.80 -0.02 0.00 -0.22 0.00 0.00 54.13 55.76 2d4o s LEU 122 Cb -0.08 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.03 2d4o s LEU 122 CO -0.00 -0.58 -0.08 0.00 -1.32 0.00 0.00 176.35 174.37 2d4o s ALA 123 N 2.24 2.81 -0.01 5.97 0.00 -1.26 -5.11 121.76 126.40 2d4o s ALA 123 Ca 0.55 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.64 2d4o s ALA 123 Cb -0.24 -1.42 0.00 0.00 0.00 0.00 0.00 23.12 21.45 2d4o s ALA 123 CO 0.21 0.15 -0.05 0.08 0.00 0.00 0.00 175.76 176.16 2d4o s VAL 124 N 0.49 0.42 -0.15 0.00 1.01 -1.26 -5.12 120.40 115.78 2d4o s VAL 124 Ca -0.06 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.74 2d4o s VAL 124 Cb -0.15 -0.37 0.02 0.00 0.00 0.00 0.00 36.38 35.88 2d4o s VAL 124 CO 0.03 0.13 -0.17 -0.60 0.00 0.00 0.00 175.10 174.50 2d4o s ARG 125 N 0.07 2.56 -0.22 2.72 3.52 -1.26 -5.10 118.95 121.24 2d4o s ARG 125 Ca -0.00 -0.66 -0.16 0.00 -0.13 0.00 0.00 55.73 54.77 2d4o s ARG 125 Cb -0.04 -2.25 -0.04 0.00 -1.56 0.00 0.00 34.95 31.06 2d4o s ARG 125 CO -0.00 -0.19 0.42 0.08 -0.81 0.00 0.00 175.30 174.80 2d4o s VAL 126 N 1.31 5.17 -0.19 7.11 1.01 -1.26 -4.93 120.40 128.61 2d4o s VAL 126 Ca 0.03 0.74 0.14 0.00 0.00 0.00 0.00 61.98 62.89 2d4o s VAL 126 Cb -0.13 -3.75 -0.24 0.00 0.00 0.00 0.00 36.38 32.26 2d4o s VAL 126 CO -0.10 0.21 0.08 0.18 0.00 0.00 0.00 175.10 175.48 2d4o n LEU 127 N 4.75 0.62 0.00 3.92 4.77 -1.26 -5.11 117.00 124.69 2d4o n LEU 127 Ca -0.07 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 2d4o n LEU 127 Cb 0.51 0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.81 2d4o n LEU 127 CO 0.40 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.64 2d4o n GLY 128 N 1.82 0.86 3.84 -0.72 0.00 -1.26 -5.03 105.19 104.70 2d4o n GLY 128 Ca -0.34 -2.02 -0.32 0.00 0.00 0.00 0.00 46.02 43.34 2d4o n GLY 128 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d4o s SER 129 N -0.18 5.96 0.00 1.61 0.01 -1.26 -5.31 113.70 114.54 2d4o s SER 129 Ca 0.00 0.20 0.05 0.00 1.31 0.00 0.00 55.95 57.51 2d4o s SER 129 Cb 0.00 -1.77 0.30 0.00 0.21 0.00 0.00 66.02 64.76 2d4o s SER 129 CO 0.00 0.23 0.77 0.54 0.41 0.00 0.00 173.24 175.19