#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3d h SER 2 N 0.00 -0.07 -2.80 1.61 0.02 -2.13 -3.47 113.55 106.71 1x3d h SER 2 Ca 0.00 -0.25 -0.46 0.00 -0.84 0.00 0.00 61.79 60.24 1x3d h SER 2 Cb 0.00 0.02 0.03 0.00 0.14 0.00 0.00 62.40 62.59 1x3d h SER 2 CO 0.00 0.54 -0.06 -0.55 -1.14 0.00 0.00 176.83 175.62 1x3d s SER 3 N -5.62 5.74 0.31 3.07 0.15 -1.26 -5.11 113.70 110.98 1x3d s SER 3 Ca -0.06 0.29 -0.16 0.00 0.70 0.00 0.00 55.95 56.72 1x3d s SER 3 Cb -0.01 -1.46 0.02 0.00 -1.71 0.00 0.00 66.02 62.87 1x3d s SER 3 CO 0.23 -0.79 0.67 -0.83 1.20 0.00 0.00 173.24 173.71 1x3d s GLY 4 N -4.25 0.35 -0.55 9.45 0.00 -1.26 -5.09 107.32 105.97 1x3d s GLY 4 Ca 0.50 -0.69 -0.27 0.00 0.00 0.00 0.00 44.72 44.26 1x3d s GLY 4 CO 0.39 -0.37 2.45 -1.26 0.00 0.00 0.00 173.10 174.31 1x3d n SER 5 N -0.84 2.08 -4.81 1.64 2.88 -1.26 -4.91 113.62 108.40 1x3d n SER 5 Ca -0.04 -0.39 -0.28 0.00 -1.33 0.00 0.00 58.87 56.82 1x3d n SER 5 Cb 0.60 -1.50 -0.05 0.00 -0.75 0.00 0.00 64.21 62.52 1x3d n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x3d s SER 6 N 11.68 4.40 0.00 -3.46 0.01 -1.26 -5.02 113.70 120.05 1x3d s SER 6 Ca 1.03 -1.33 0.00 0.00 1.31 0.00 0.00 55.95 56.96 1x3d s SER 6 Cb -0.33 0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.08 1x3d s SER 6 CO 0.30 -0.85 0.00 0.61 0.41 0.00 0.00 173.24 173.70 1x3d n GLY 7 N -1.44 -1.43 3.59 3.44 0.00 -1.26 -5.12 105.19 102.97 1x3d n GLY 7 Ca -0.07 0.49 -0.08 0.00 0.00 0.00 0.00 46.02 46.36 1x3d n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x3d s ALA 8 N -1.00 -1.76 -0.43 4.61 0.00 -1.26 -5.12 121.76 116.79 1x3d s ALA 8 Ca 0.00 2.29 -0.01 0.00 0.00 0.00 0.00 51.96 54.23 1x3d s ALA 8 Cb 0.00 -1.35 0.12 0.00 0.00 0.00 0.00 23.12 21.89 1x3d s ALA 8 CO 0.00 -0.36 0.21 -1.21 0.00 0.00 0.00 175.76 174.40 1x3d s GLU 9 N 1.55 1.98 0.79 0.00 0.41 -1.26 -5.09 118.70 117.08 1x3d s GLU 9 Ca -0.09 -1.98 -0.17 0.00 -0.41 0.00 0.00 54.97 52.32 1x3d s GLU 9 Cb -0.05 -3.52 -0.10 0.00 -1.78 0.00 0.00 34.13 28.67 1x3d s GLU 9 CO -0.18 -1.07 -0.14 0.44 -0.49 0.00 0.00 175.26 173.82 1x3d n ILE 10 N 4.28 0.46 -3.67 -1.63 -5.35 -1.26 -4.99 119.36 107.21 1x3d n ILE 10 Ca 0.01 -0.44 -0.26 0.00 -0.27 0.00 0.00 62.75 61.79 1x3d n ILE 10 Cb 0.40 -0.26 -0.17 0.00 -1.74 0.00 0.00 39.64 37.87 1x3d n ILE 10 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1x3d s PHE 11 N -2.02 0.52 -0.04 4.28 0.08 -1.26 -5.12 117.98 114.43 1x3d s PHE 11 Ca 0.53 -0.50 -0.01 0.00 0.12 0.00 0.00 56.93 57.07 1x3d s PHE 11 Cb -0.31 -0.82 0.03 0.00 -0.57 0.00 0.00 43.02 41.35 1x3d s PHE 11 CO 0.70 -0.53 0.06 0.99 -0.10 0.00 0.00 175.22 176.34 1x3d s THR 12 N 2.03 -0.10 0.24 0.64 2.01 -1.26 -5.15 115.64 114.05 1x3d s THR 12 Ca 0.01 0.33 0.02 0.00 0.31 0.00 0.00 61.69 62.36 1x3d s THR 12 Cb -0.16 -0.14 -0.05 0.00 0.01 0.00 0.00 72.50 72.16 1x3d s THR 12 CO -0.08 0.14 0.06 0.42 -0.69 0.00 0.00 174.62 174.47 1x3d s THR 13 N 1.70 0.68 -0.28 -0.82 -4.23 -1.26 -5.17 115.64 106.27 1x3d s THR 13 Ca -0.01 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.25 1x3d s THR 13 Cb -0.12 -2.50 0.10 0.00 1.34 0.00 0.00 72.50 71.31 1x3d s THR 13 CO -0.03 -0.14 0.89 -1.48 -0.54 0.00 0.00 174.62 173.32 1x3d s LEU 14 N -3.29 -0.59 -1.27 4.79 2.34 -1.26 -4.97 118.68 114.43 1x3d s LEU 14 Ca 0.34 1.13 -0.07 0.00 0.06 0.00 0.00 54.13 55.58 1x3d s LEU 14 Cb 0.07 2.14 0.01 0.00 -0.56 0.00 0.00 46.19 47.85 1x3d s LEU 14 CO 0.11 -0.19 0.13 -1.20 -1.06 0.00 0.00 176.35 174.14 1x3d n SER 15 N 2.48 -0.17 -4.23 1.48 7.64 -1.26 -4.91 113.62 114.65 1x3d n SER 15 Ca -0.13 -1.11 -0.19 0.00 1.01 0.00 0.00 58.87 58.45 1x3d n SER 15 Cb 0.56 -1.37 -0.10 0.00 -1.01 0.00 0.00 64.21 62.29 1x3d n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x3d s GLU 17 N -3.92 3.01 0.88 0.00 1.03 -1.26 -4.70 118.70 113.75 1x3d s GLU 17 Ca 0.36 -0.84 -0.11 0.00 0.03 0.00 0.00 54.97 54.40 1x3d s GLU 17 Cb 0.07 -2.70 0.12 0.00 -0.80 0.00 0.00 34.13 30.82 1x3d s GLU 17 CO 0.15 0.48 1.09 -1.25 -1.33 0.00 0.00 175.26 174.40 1x3d s PRO 18 N -3.22 1.37 0.53 -4.83 0.04 -1.26 -4.88 135.00 122.75 1x3d s PRO 18 Ca 0.32 0.86 -0.21 0.00 0.04 0.00 0.00 61.00 62.01 1x3d s PRO 18 Cb -0.10 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 1x3d s PRO 18 CO 0.25 -2.17 1.20 -0.51 0.04 0.00 0.00 177.00 175.80 1x3d s ASP 19 N -3.42 5.63 -0.04 6.66 1.01 -1.26 -4.51 116.67 120.74 1x3d s ASP 19 Ca 0.63 2.37 -0.30 0.00 0.71 0.00 0.00 52.55 55.97 1x3d s ASP 19 Cb -0.18 -2.60 -0.07 0.00 1.01 0.00 0.00 42.92 41.08 1x3d s ASP 19 CO 0.57 -1.29 1.85 -0.63 0.21 0.00 0.00 175.17 175.88 1x3d s ILE 20 N -1.57 3.27 0.52 0.77 1.01 -1.26 -4.79 121.20 119.15 1x3d s ILE 20 Ca 0.71 0.32 -0.20 0.00 0.00 0.00 0.00 60.65 61.48 1x3d s ILE 20 Cb -0.30 -3.23 -0.06 0.00 0.01 0.00 0.00 42.46 38.88 1x3d s ILE 20 CO 0.34 -0.05 1.14 -2.16 0.00 0.00 0.00 174.94 174.21 1x3d s PRO 21 N 4.51 3.46 0.77 2.79 0.04 -1.26 -4.96 135.00 140.35 1x3d s PRO 21 Ca 0.83 1.65 -0.15 0.00 0.04 0.00 0.00 61.00 63.37 1x3d s PRO 21 Cb -0.37 -2.10 0.05 0.00 0.04 0.00 0.00 34.50 32.11 1x3d s PRO 21 CO 0.36 -0.77 1.10 0.09 0.04 0.00 0.00 177.00 177.81 1x3d n ASN 22 N -1.10 0.80 -4.77 6.66 4.13 -1.26 -4.37 115.26 115.35 1x3d n ASN 22 Ca 0.11 0.62 -0.35 0.00 1.68 0.00 0.00 54.58 56.64 1x3d n ASN 22 Cb 0.50 -1.47 0.00 0.00 -1.54 0.00 0.00 39.78 37.28 1x3d n ASN 22 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1x3d s PRO 23 N -3.76 3.35 0.32 3.52 0.04 -1.26 -4.73 135.00 132.47 1x3d s PRO 23 Ca 0.73 1.61 -0.29 0.00 0.04 0.00 0.00 61.00 63.09 1x3d s PRO 23 Cb -0.31 -2.01 -0.10 0.00 0.04 0.00 0.00 34.50 32.12 1x3d s PRO 23 CO 0.50 -0.85 1.22 -1.25 0.04 0.00 0.00 177.00 176.67 1x3d s PRO 24 N -3.30 4.44 0.53 0.56 0.04 -1.26 -4.84 135.00 131.17 1x3d s PRO 24 Ca 0.73 2.04 0.08 0.00 0.04 0.00 0.00 61.00 63.89 1x3d s PRO 24 Cb -0.24 -3.09 0.05 0.00 0.04 0.00 0.00 34.50 31.26 1x3d s PRO 24 CO 0.27 -0.05 0.60 1.03 0.04 0.00 0.00 177.00 178.89 1x3d s ARG 25 N -1.70 2.39 -0.15 4.56 0.52 0.36 -4.86 118.95 120.08 1x3d s ARG 25 Ca 0.48 -1.68 -0.05 0.00 -0.52 0.00 0.00 55.73 53.95 1x3d s ARG 25 Cb -0.36 -2.47 -0.03 0.00 0.52 0.00 0.00 34.95 32.60 1x3d s ARG 25 CO 0.48 -0.63 0.02 0.42 0.02 0.00 0.00 175.30 175.60 1x3d s ILE 26 N -2.63 4.43 0.00 1.52 -1.09 -1.26 -0.58 121.20 121.59 1x3d s ILE 26 Ca 0.51 -0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.76 1x3d s ILE 26 Cb -0.05 -2.95 0.00 0.00 -1.58 0.00 0.00 42.46 37.88 1x3d s ILE 26 CO 0.32 0.51 0.00 0.00 -1.23 0.00 0.00 174.94 174.54 1x3d n ALA 27 N 3.12 1.95 -3.20 9.38 0.00 -1.04 -4.92 120.51 125.80 1x3d n ALA 27 Ca -0.17 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.31 1x3d n ALA 27 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 1x3d n ALA 27 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1x3d s ASN 28 N -1.60 -0.32 -0.10 0.00 2.47 -1.24 -5.03 114.94 109.12 1x3d s ASN 28 Ca 0.00 0.28 0.01 0.00 0.42 0.00 0.00 52.86 53.57 1x3d s ASN 28 Cb 0.00 1.30 0.02 0.00 -1.45 0.00 0.00 41.25 41.12 1x3d s ASN 28 CO 0.00 -0.06 -0.12 0.00 -3.72 0.00 0.00 177.10 173.20 1x3d s ARG 29 N 2.67 1.90 0.52 0.43 1.70 -1.26 0.84 118.95 125.76 1x3d s ARG 29 Ca -0.03 -0.44 0.05 0.00 -0.47 0.00 0.00 55.73 54.85 1x3d s ARG 29 Cb -0.07 -1.69 0.05 0.00 -0.57 0.00 0.00 34.95 32.67 1x3d s ARG 29 CO -0.12 -0.11 0.45 0.25 -1.08 0.00 0.00 175.30 174.69 1x3d n THR 30 N 4.33 0.00 0.24 4.99 -2.24 0.66 -4.31 114.28 117.94 1x3d n THR 30 Ca -0.18 -2.00 0.10 0.00 -2.27 0.00 0.00 64.05 59.69 1x3d n THR 30 Cb 0.51 -0.14 0.58 0.00 -2.10 0.00 0.00 70.33 69.19 1x3d n THR 30 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1x3d h LYS 31 N 0.00 0.00 -0.29 -0.78 1.79 -1.94 -3.15 116.57 112.20 1x3d h LYS 31 Ca -0.31 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 57.92 1x3d h LYS 31 Cb 1.19 0.00 -0.35 0.00 -1.58 0.00 0.00 32.23 31.49 1x3d h LYS 31 CO 0.49 0.20 -0.96 0.09 -1.08 0.00 0.00 179.45 178.18 1x3d n ASN 32 N -3.66 1.96 -3.51 0.86 3.02 -1.26 0.00 115.26 112.68 1x3d n ASN 32 Ca -0.01 -2.56 -0.11 0.00 -0.03 0.00 0.00 54.58 51.87 1x3d n ASN 32 Cb 0.32 -0.41 -0.03 0.00 -0.61 0.00 0.00 39.78 39.05 1x3d n ASN 32 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1x3d s SER 33 N -3.13 -0.45 -0.18 6.41 0.01 -1.19 -1.90 113.70 113.27 1x3d s SER 33 Ca 0.35 0.22 -0.04 0.00 1.31 0.00 0.00 55.95 57.78 1x3d s SER 33 Cb 0.36 0.42 0.09 0.00 0.21 0.00 0.00 66.02 67.11 1x3d s SER 33 CO -0.07 -0.61 0.30 -0.76 0.41 0.00 0.00 173.24 172.51 1x3d s LEU 34 N -1.97 -0.38 -0.24 2.44 1.43 0.63 -0.25 118.68 120.35 1x3d s LEU 34 Ca -0.00 0.40 -0.10 0.00 -1.03 0.00 0.00 54.13 53.40 1x3d s LEU 34 Cb -0.01 0.81 -0.05 0.00 0.03 0.00 0.00 46.19 46.98 1x3d s LEU 34 CO -0.04 -0.27 0.14 -0.89 0.23 0.00 0.00 176.35 175.52 1x3d s THR 35 N 2.45 5.17 -0.05 5.49 2.01 0.25 -0.41 115.64 130.54 1x3d s THR 35 Ca 0.04 0.11 0.05 0.00 0.31 0.00 0.00 61.69 62.21 1x3d s THR 35 Cb -0.14 -3.41 -0.01 0.00 0.01 0.00 0.00 72.50 68.96 1x3d s THR 35 CO -0.11 0.35 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.19 1x3d s LEU 36 N 1.10 2.01 -0.06 4.42 1.43 -1.08 -2.50 118.68 124.00 1x3d s LEU 36 Ca 0.07 -0.45 0.03 0.00 -1.03 0.00 0.00 54.13 52.74 1x3d s LEU 36 Cb -0.14 -1.21 0.01 0.00 0.03 0.00 0.00 46.19 44.88 1x3d s LEU 36 CO 0.05 0.21 -0.13 -1.10 0.23 0.00 0.00 176.35 175.61 1x3d s GLN 37 N -0.09 1.74 0.37 1.70 -0.21 0.25 -2.64 119.66 120.78 1x3d s GLN 37 Ca -0.03 -0.45 0.04 0.00 0.02 0.00 0.00 55.36 54.94 1x3d s GLN 37 Cb -0.13 -1.44 -0.05 0.00 1.00 0.00 0.00 33.01 32.40 1x3d s GLN 37 CO 0.03 0.05 0.07 1.67 -2.12 0.00 0.00 175.29 175.00 1x3d s TRP 38 N 0.58 1.93 0.40 0.91 -2.14 -0.83 -0.48 118.94 119.31 1x3d s TRP 38 Ca -0.14 -1.04 0.07 0.00 2.66 0.00 0.00 56.10 57.66 1x3d s TRP 38 Cb -0.15 -1.30 -0.06 0.00 -3.10 0.00 0.00 33.47 28.86 1x3d s TRP 38 CO 0.04 -0.04 0.09 0.15 -2.66 0.00 0.00 176.95 174.53 1x3d s LYS 39 N -3.83 2.10 -0.00 3.25 1.02 -1.26 -4.82 119.74 116.19 1x3d s LYS 39 Ca 0.30 -1.93 -0.19 0.00 0.02 0.00 0.00 55.97 54.18 1x3d s LYS 39 Cb 0.06 -1.85 -0.06 0.00 -0.52 0.00 0.00 37.83 35.47 1x3d s LYS 39 CO 0.14 -0.05 0.54 0.00 -0.92 0.00 0.00 175.35 175.06 1x3d s ALA 40 N -2.63 3.54 1.00 5.17 0.00 -1.26 -4.70 121.76 122.88 1x3d s ALA 40 Ca 0.38 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.30 1x3d s ALA 40 Cb 0.05 -2.65 0.00 0.00 0.00 0.00 0.00 23.12 20.53 1x3d s ALA 40 CO 0.20 0.24 0.00 -0.35 0.00 0.00 0.00 175.76 175.86 1x3d n PRO 41 N 2.50 0.09 -3.22 0.00 -0.04 -1.26 -4.98 135.00 128.10 1x3d n PRO 41 Ca -0.09 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.96 1x3d n PRO 41 Cb 0.51 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.90 1x3d n PRO 41 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x3d s SER 42 N -1.51 6.32 -0.82 3.54 0.01 -1.26 -4.97 113.70 115.02 1x3d s SER 42 Ca 0.00 -0.04 -0.23 0.00 1.31 0.00 0.00 55.95 56.99 1x3d s SER 42 Cb 0.00 -2.28 -0.16 0.00 0.21 0.00 0.00 66.02 63.79 1x3d s SER 42 CO 0.00 -0.51 1.90 -0.90 0.41 0.00 0.00 173.24 174.14 1x3d n ASP 43 N 5.79 2.51 -0.06 2.44 5.75 -1.26 -4.50 116.55 127.23 1x3d n ASP 43 Ca -0.04 -2.67 -0.13 0.00 -0.01 0.00 0.00 54.79 51.94 1x3d n ASP 43 Cb 0.49 -1.23 -0.12 0.00 -1.03 0.00 0.00 41.12 39.23 1x3d n ASP 43 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1x3d h ASN 44 N 8.58 -0.00 0.02 -1.12 -1.07 -1.98 -3.41 115.58 116.60 1x3d h ASN 44 Ca 0.35 -0.90 -0.00 0.00 0.07 0.00 0.00 56.30 55.82 1x3d h ASN 44 Cb 0.74 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.00 1x3d h ASN 44 CO 1.77 0.92 -0.01 1.23 0.07 0.00 0.00 177.43 181.41 1x3d h GLY 45 N -0.95 -0.03 -0.86 9.14 0.00 -1.90 -3.47 103.07 105.00 1x3d h GLY 45 Ca -0.00 0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.30 1x3d h GLY 45 CO 0.00 -0.01 0.21 -1.14 0.00 0.00 0.00 176.54 175.60 1x3d n SER 46 N -2.21 -1.87 -4.72 0.19 3.41 -1.26 -5.04 113.62 102.12 1x3d n SER 46 Ca -0.00 -2.35 -0.42 0.00 -0.26 0.00 0.00 58.87 55.83 1x3d n SER 46 Cb 0.01 3.14 -0.03 0.00 -0.26 0.00 0.00 64.21 67.07 1x3d n SER 46 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1x3d s LYS 47 N -2.12 4.17 -0.45 4.33 2.20 -1.26 -4.82 119.74 121.80 1x3d s LYS 47 Ca 0.14 2.47 -0.29 0.00 -0.36 0.00 0.00 55.97 57.93 1x3d s LYS 47 Cb -0.04 -3.15 0.02 0.00 -1.51 0.00 0.00 37.83 33.16 1x3d s LYS 47 CO 0.10 -0.68 1.23 0.42 -0.36 0.00 0.00 175.35 176.06 1x3d s ILE 48 N 1.25 4.12 0.04 5.43 1.01 -1.26 -4.28 121.20 127.51 1x3d s ILE 48 Ca 0.72 1.15 -0.09 0.00 0.00 0.00 0.00 60.65 62.43 1x3d s ILE 48 Cb -0.46 -4.46 -0.02 0.00 0.01 0.00 0.00 42.46 37.52 1x3d s ILE 48 CO 0.32 -0.90 1.15 1.56 0.00 0.00 0.00 174.94 177.07 1x3d h GLN 49 N 9.66 -0.04 -3.27 2.79 4.20 -1.46 -3.46 115.11 123.53 1x3d h GLN 49 Ca -0.24 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.46 1x3d h GLN 49 Cb 1.08 0.01 -0.09 0.00 0.30 0.00 0.00 27.48 28.77 1x3d h GLN 49 CO 1.11 -0.02 0.06 0.54 -0.67 0.00 0.00 178.83 179.85 1x3d s ASN 50 N -3.58 -0.25 -0.08 1.46 6.03 -1.22 -4.64 114.94 112.66 1x3d s ASN 50 Ca -0.04 -0.55 -0.18 0.00 -1.03 0.00 0.00 52.86 51.07 1x3d s ASN 50 Cb 0.03 0.62 -0.05 0.00 -3.03 0.00 0.00 41.25 38.82 1x3d s ASN 50 CO 0.17 -1.13 0.49 -0.36 -2.03 0.00 0.00 177.10 174.24 1x3d s PHE 51 N -3.90 3.58 -0.29 1.54 0.08 -0.64 -3.33 117.98 115.03 1x3d s PHE 51 Ca 0.11 0.97 -0.06 0.00 0.12 0.00 0.00 56.93 58.06 1x3d s PHE 51 Cb -0.02 -2.52 0.01 0.00 -0.57 0.00 0.00 43.02 39.91 1x3d s PHE 51 CO 0.01 0.28 0.07 0.08 -0.10 0.00 0.00 175.22 175.55 1x3d s VAL 52 N 0.21 3.90 0.18 -0.44 1.01 -0.74 -2.03 120.40 122.49 1x3d s VAL 52 Ca 0.27 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 61.62 1x3d s VAL 52 Cb -0.16 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 1x3d s VAL 52 CO 0.12 0.11 0.10 -0.22 0.00 0.00 0.00 175.10 175.20 1x3d s LEU 53 N 1.49 3.63 0.05 3.92 2.96 0.74 -2.79 118.68 128.68 1x3d s LEU 53 Ca 0.03 -0.24 -0.14 0.00 -0.22 0.00 0.00 54.13 53.56 1x3d s LEU 53 Cb -0.17 -2.25 0.02 0.00 0.50 0.00 0.00 46.19 44.30 1x3d s LEU 53 CO 0.02 0.06 0.32 -1.61 -1.32 0.00 0.00 176.35 173.82 1x3d s GLU 54 N -3.14 0.83 0.15 1.98 8.01 -1.16 -1.47 118.70 123.91 1x3d s GLU 54 Ca 0.30 -0.51 -0.19 0.00 0.01 0.00 0.00 54.97 54.59 1x3d s GLU 54 Cb -0.09 0.36 0.05 0.00 -4.31 0.00 0.00 34.13 30.13 1x3d s GLU 54 CO 0.22 -0.27 0.49 1.67 0.01 0.00 0.00 175.26 177.38 1x3d s TRP 55 N -2.62 -0.30 -0.43 1.61 1.48 -1.17 -2.72 118.94 114.79 1x3d s TRP 55 Ca -0.04 0.01 0.01 0.00 -1.06 0.00 0.00 56.10 55.02 1x3d s TRP 55 Cb -0.01 0.39 0.45 0.00 -1.16 0.00 0.00 33.47 33.14 1x3d s TRP 55 CO -0.04 -0.80 1.85 -0.40 -4.06 0.00 0.00 176.95 173.51 1x3d n ASP 56 N -0.30 5.16 -3.30 -2.66 5.75 -1.23 -3.25 116.55 116.71 1x3d n ASP 56 Ca -0.15 -3.35 -0.19 0.00 -0.01 0.00 0.00 54.79 51.08 1x3d n ASP 56 Cb 0.64 -0.87 -0.04 0.00 -1.03 0.00 0.00 41.12 39.82 1x3d n ASP 56 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1x3d n GLU 57 N -0.61 -1.85 -4.22 0.11 1.02 -1.26 0.30 120.64 114.13 1x3d n GLU 57 Ca 0.48 0.06 -0.34 0.00 -0.02 0.00 0.00 57.16 57.34 1x3d n GLU 57 Cb 1.07 -4.29 -0.05 0.00 -0.02 0.00 0.00 31.44 28.16 1x3d n GLU 57 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x3d n GLY 58 N -0.73 -0.33 0.09 0.62 0.00 -1.26 -4.87 105.19 98.72 1x3d n GLY 58 Ca 0.05 0.14 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 1x3d n GLY 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x3d n LYS 59 N -4.37 0.51 0.00 1.61 5.02 0.15 -4.76 118.16 116.32 1x3d n LYS 59 Ca -0.08 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 1x3d n LYS 59 Cb 0.57 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 1x3d n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x3d n GLY 60 N 1.50 1.00 0.33 0.72 0.00 -1.26 -5.05 105.19 102.42 1x3d n GLY 60 Ca -0.20 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.78 1x3d n GLY 60 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x3d n ASN 61 N 0.00 2.41 0.00 1.61 3.02 -1.26 -5.06 115.26 115.98 1x3d n ASN 61 Ca 0.00 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 1x3d n ASN 61 Cb 0.00 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 1x3d n ASN 61 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x3d n GLY 62 N 3.05 1.95 3.35 7.41 0.00 -1.26 -5.12 105.19 114.57 1x3d n GLY 62 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 1x3d n GLY 62 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x3d s GLU 63 N -0.14 3.43 -0.15 1.61 0.41 -1.26 -5.10 118.70 117.50 1x3d s GLU 63 Ca 0.00 -0.62 -0.03 0.00 -0.41 0.00 0.00 54.97 53.91 1x3d s GLU 63 Cb 0.00 -2.93 -0.03 0.00 -1.78 0.00 0.00 34.13 29.40 1x3d s GLU 63 CO 0.00 -0.05 -0.05 -0.06 -0.49 0.00 0.00 175.26 174.61 1x3d s PHE 64 N 1.09 3.01 0.15 1.61 0.40 -1.26 -3.73 117.98 119.24 1x3d s PHE 64 Ca 0.01 -0.30 0.04 0.00 -0.60 0.00 0.00 56.93 56.08 1x3d s PHE 64 Cb -0.15 -1.93 -0.04 0.00 0.51 0.00 0.00 43.02 41.41 1x3d s PHE 64 CO -0.01 -0.02 -0.08 0.00 0.70 0.00 0.00 175.22 175.81 1x3d n GLN 66 N -0.21 2.20 -0.09 0.00 7.27 -1.26 -3.05 117.38 122.24 1x3d n GLN 66 Ca -0.10 0.70 -0.13 0.00 0.07 0.00 0.00 57.00 57.54 1x3d n GLN 66 Cb 0.61 -3.09 -0.08 0.00 2.41 0.00 0.00 30.24 30.09 1x3d n GLN 66 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1x3d s TYR 68 N -2.35 -0.26 -0.17 0.00 6.14 -1.21 -5.02 117.35 114.48 1x3d s TYR 68 Ca -0.24 0.70 -0.02 0.00 0.64 0.00 0.00 57.07 58.14 1x3d s TYR 68 Cb 0.07 -0.12 0.05 0.00 0.42 0.00 0.00 41.96 42.38 1x3d s TYR 68 CO 0.40 -0.26 0.02 1.41 0.64 0.00 0.00 175.55 177.76 1x3d s MET 69 N 1.90 0.69 0.00 4.97 -2.45 -1.26 -0.19 119.30 122.97 1x3d s MET 69 Ca -0.02 -0.33 0.00 0.00 -1.25 0.00 0.00 55.69 54.09 1x3d s MET 69 Cb -0.12 -1.89 0.00 0.00 1.25 0.00 0.00 34.83 34.07 1x3d s MET 69 CO -0.07 -0.56 0.00 0.41 1.05 0.00 0.00 175.02 175.85 1x3d n GLY 70 N 5.06 0.54 0.19 2.11 0.00 -0.86 -4.95 105.19 107.28 1x3d n GLY 70 Ca -0.09 -0.82 -0.05 0.00 0.00 0.00 0.00 46.02 45.07 1x3d n GLY 70 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1x3d h SER 71 N 0.00 0.31 -2.11 1.61 0.87 -1.87 -1.69 113.55 110.68 1x3d h SER 71 Ca 0.00 0.03 -0.56 0.00 -1.23 0.00 0.00 61.79 60.03 1x3d h SER 71 Cb 0.00 -0.03 0.22 0.00 -0.44 0.00 0.00 62.40 62.16 1x3d h SER 71 CO 0.00 0.22 -1.61 0.00 -0.53 0.00 0.00 176.83 174.91 1x3d n GLN 72 N -4.92 -0.01 -0.11 2.24 6.02 -1.26 -4.61 117.38 114.74 1x3d n GLN 72 Ca 0.03 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.11 1x3d n GLN 72 Cb 0.13 -1.07 0.12 0.00 1.02 0.00 0.00 30.24 30.44 1x3d n GLN 72 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1x3d n LYS 73 N 1.99 1.20 -3.76 -1.09 5.02 -1.26 -4.69 118.16 115.56 1x3d n LYS 73 Ca 0.01 -2.37 -0.14 0.00 -2.02 0.00 0.00 58.31 53.79 1x3d n LYS 73 Cb 0.54 -1.38 -0.14 0.00 -0.02 0.00 0.00 35.03 34.03 1x3d n LYS 73 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1x3d s GLN 74 N -2.51 0.08 -0.08 1.97 0.74 -1.26 -1.97 119.66 116.62 1x3d s GLN 74 Ca 0.28 0.31 -0.04 0.00 0.05 0.00 0.00 55.36 55.96 1x3d s GLN 74 Cb 0.24 -0.16 0.04 0.00 1.10 0.00 0.00 33.01 34.24 1x3d s GLN 74 CO 0.03 -0.15 0.18 0.12 -0.55 0.00 0.00 175.29 174.92 1x3d s PHE 75 N 1.01 -0.23 -0.39 1.67 5.36 -1.08 -5.04 117.98 119.28 1x3d s PHE 75 Ca -0.08 0.62 -0.12 0.00 -0.96 0.00 0.00 56.93 56.39 1x3d s PHE 75 Cb -0.10 -0.10 0.03 0.00 -0.34 0.00 0.00 43.02 42.51 1x3d s PHE 75 CO -0.05 -0.23 0.24 0.21 -1.46 0.00 0.00 175.22 173.94 1x3d s LYS 76 N 1.61 2.86 -0.47 10.12 2.20 -1.26 -2.63 119.74 132.16 1x3d s LYS 76 Ca -0.05 -1.09 -0.25 0.00 -0.36 0.00 0.00 55.97 54.21 1x3d s LYS 76 Cb -0.12 -3.83 0.03 0.00 -1.51 0.00 0.00 37.83 32.41 1x3d s LYS 76 CO -0.07 -0.74 0.93 0.42 -0.36 0.00 0.00 175.35 175.54 1x3d s ILE 77 N 1.59 4.45 0.37 5.43 1.01 0.45 -4.87 121.20 129.63 1x3d s ILE 77 Ca 0.03 0.71 0.04 0.00 0.00 0.00 0.00 60.65 61.43 1x3d s ILE 77 Cb -0.19 -4.45 0.07 0.00 0.01 0.00 0.00 42.46 37.89 1x3d s ILE 77 CO 0.08 -0.87 0.51 0.35 0.00 0.00 0.00 174.94 175.00 1x3d n THR 78 N 6.42 0.00 -3.32 2.92 -2.24 -1.26 -0.27 114.28 116.52 1x3d n THR 78 Ca 0.06 -1.08 -0.17 0.00 -2.27 0.00 0.00 64.05 60.58 1x3d n THR 78 Cb 0.48 -0.83 0.07 0.00 -2.10 0.00 0.00 70.33 67.96 1x3d n THR 78 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1x3d n LYS 79 N -1.86 -6.21 -3.17 -0.78 4.76 -0.80 -4.87 118.16 105.24 1x3d n LYS 79 Ca 0.10 0.72 -0.17 0.00 -2.87 0.00 0.00 58.31 56.09 1x3d n LYS 79 Cb 0.35 -5.40 -0.02 0.00 -1.84 0.00 0.00 35.03 28.13 1x3d n LYS 79 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1x3d n LEU 80 N -3.99 0.00 -4.17 -0.35 4.77 -0.95 -4.99 117.00 107.32 1x3d n LEU 80 Ca -0.13 -1.73 -0.18 0.00 -0.03 0.00 0.00 56.01 53.94 1x3d n LEU 80 Cb 0.60 0.08 -0.12 0.00 -2.33 0.00 0.00 43.42 41.66 1x3d n LEU 80 CO 0.54 -0.36 -0.45 -0.44 -1.33 0.00 0.00 177.39 175.35 1x3d s SER 81 N -2.73 1.64 0.66 -1.43 0.01 -1.21 -4.10 113.70 106.53 1x3d s SER 81 Ca 0.09 -0.62 -0.15 0.00 1.31 0.00 0.00 55.95 56.58 1x3d s SER 81 Cb -0.01 -0.04 -0.00 0.00 0.21 0.00 0.00 66.02 66.18 1x3d s SER 81 CO 0.06 -0.09 1.11 -2.16 0.41 0.00 0.00 173.24 172.57 1x3d s PRO 82 N -1.78 2.82 -1.28 12.44 0.04 0.10 -3.81 135.00 143.52 1x3d s PRO 82 Ca -0.02 1.40 -0.04 0.00 0.04 0.00 0.00 61.00 62.38 1x3d s PRO 82 Cb -0.10 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.50 1x3d s PRO 82 CO 0.02 -1.24 1.03 0.00 0.04 0.00 0.00 177.00 176.86 1x3d n ALA 83 N -2.39 -1.75 -3.25 8.56 0.00 -1.26 -4.85 120.51 115.57 1x3d n ALA 83 Ca 0.10 0.09 -0.25 0.00 0.00 0.00 0.00 53.44 53.39 1x3d n ALA 83 Cb 0.52 -3.49 -0.16 0.00 0.00 0.00 0.00 19.45 16.32 1x3d n ALA 83 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1x3d s MET 84 N -5.79 1.72 -0.30 0.00 0.00 -1.25 -4.97 119.30 108.71 1x3d s MET 84 Ca 0.22 -0.48 -0.12 0.00 0.00 0.00 0.00 55.69 55.31 1x3d s MET 84 Cb -0.10 -1.44 -0.04 0.00 0.00 0.00 0.00 34.83 33.25 1x3d s MET 84 CO 0.74 0.10 0.22 0.20 0.00 0.00 0.00 175.02 176.29 1x3d s GLY 85 N 0.42 1.93 -0.02 2.11 0.00 -1.26 -2.82 107.32 107.69 1x3d s GLY 85 Ca -0.11 -1.14 0.05 0.00 0.00 0.00 0.00 44.72 43.52 1x3d s GLY 85 CO 0.03 0.72 -0.17 0.00 0.00 0.00 0.00 173.10 173.69 1x3d s LYS 87 N -0.31 3.53 0.05 0.00 1.02 -1.26 -1.91 119.74 120.86 1x3d s LYS 87 Ca 0.05 -0.31 -0.04 0.00 0.02 0.00 0.00 55.97 55.69 1x3d s LYS 87 Cb -0.07 -2.88 -0.02 0.00 -0.52 0.00 0.00 37.83 34.34 1x3d s LYS 87 CO -0.00 0.45 0.06 -0.06 -0.92 0.00 0.00 175.35 174.88 1x3d s PHE 88 N -1.76 0.32 -0.17 3.18 0.40 0.53 -3.51 117.98 116.97 1x3d s PHE 88 Ca 0.38 -0.74 -0.14 0.00 -0.60 0.00 0.00 56.93 55.83 1x3d s PHE 88 Cb -0.12 -0.23 0.05 0.00 0.51 0.00 0.00 43.02 43.24 1x3d s PHE 88 CO 0.28 -0.40 0.45 -0.98 0.70 0.00 0.00 175.22 175.27 1x3d s ARG 89 N -3.31 0.49 0.05 0.44 1.70 -1.10 -1.40 118.95 115.81 1x3d s ARG 89 Ca 0.01 0.70 0.05 0.00 -0.47 0.00 0.00 55.73 56.02 1x3d s ARG 89 Cb 0.03 0.17 -0.04 0.00 -0.57 0.00 0.00 34.95 34.54 1x3d s ARG 89 CO -0.08 -0.09 -0.07 -1.17 -1.08 0.00 0.00 175.30 172.81 1x3d s LEU 90 N 0.64 3.16 -0.12 -1.89 2.96 -1.26 -2.97 118.68 119.20 1x3d s LEU 90 Ca -0.03 -0.23 -0.19 0.00 -0.22 0.00 0.00 54.13 53.46 1x3d s LEU 90 Cb -0.05 -1.87 0.05 0.00 0.50 0.00 0.00 46.19 44.82 1x3d s LEU 90 CO -0.04 0.24 0.48 -0.94 -1.32 0.00 0.00 176.35 174.76 1x3d s SER 91 N -1.77 -0.45 -0.19 3.68 1.04 -1.12 -0.42 113.70 114.46 1x3d s SER 91 Ca 0.19 0.72 -0.07 0.00 0.48 0.00 0.00 55.95 57.28 1x3d s SER 91 Cb -0.11 0.76 -0.04 0.00 0.10 0.00 0.00 66.02 66.73 1x3d s SER 91 CO 0.11 -0.31 0.05 0.00 0.98 0.00 0.00 173.24 174.06 1x3d s ALA 92 N -0.37 3.29 -0.11 5.32 0.00 -1.26 -1.78 121.76 126.85 1x3d s ALA 92 Ca -0.05 -0.82 0.04 0.00 0.00 0.00 0.00 51.96 51.12 1x3d s ALA 92 Cb -0.03 -1.88 0.00 0.00 0.00 0.00 0.00 23.12 21.21 1x3d s ALA 92 CO 0.03 0.07 -0.23 0.50 0.00 0.00 0.00 175.76 176.13 1x3d s ARG 93 N 0.58 3.00 0.43 0.00 3.52 -1.21 -0.62 118.95 124.64 1x3d s ARG 93 Ca 0.02 -0.86 0.00 0.00 -0.13 0.00 0.00 55.73 54.76 1x3d s ARG 93 Cb -0.13 -2.30 0.00 0.00 -1.56 0.00 0.00 34.95 30.96 1x3d s ARG 93 CO 0.02 0.14 0.00 0.27 -0.81 0.00 0.00 175.30 174.91 1x3d n ASN 94 N 3.64 3.18 -0.47 -2.12 6.94 -1.14 -1.14 115.26 124.15 1x3d n ASN 94 Ca -0.19 -2.86 0.42 0.00 -0.02 0.00 0.00 54.58 51.92 1x3d n ASN 94 Cb 0.53 0.30 0.68 0.00 -2.36 0.00 0.00 39.78 38.92 1x3d n ASN 94 CO 0.00 0.00 0.00 -0.78 -1.03 0.00 0.00 177.26 175.45 1x3d h ASP 95 N 1.02 0.00 0.04 0.53 1.82 -1.95 -0.88 116.42 117.00 1x3d h ASP 95 Ca -0.35 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.29 1x3d h ASP 95 Cb 1.07 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.08 1x3d h ASP 95 CO 0.59 0.00 -0.02 1.88 -1.61 0.00 0.00 179.24 180.08 1x3d h TYR 96 N 0.00 -0.05 0.00 0.28 0.05 -1.93 -3.51 116.97 111.81 1x3d h TYR 96 Ca 0.72 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.50 1x3d h TYR 96 Cb 3.25 0.02 0.00 0.00 1.01 0.00 0.00 36.73 41.00 1x3d h TYR 96 CO 0.00 -0.03 0.00 0.41 -1.05 0.00 0.00 178.16 177.49 1x3d n GLY 97 N 1.54 0.23 3.65 3.88 0.00 -0.34 -5.06 105.19 109.10 1x3d n GLY 97 Ca -0.01 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 44.65 1x3d n GLY 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x3d s THR 98 N -2.00 3.83 0.72 2.61 2.01 -1.26 -2.88 115.64 118.66 1x3d s THR 98 Ca 0.00 0.99 -0.11 0.00 0.31 0.00 0.00 61.69 62.88 1x3d s THR 98 Cb 0.00 -3.69 0.02 0.00 0.01 0.00 0.00 72.50 68.85 1x3d s THR 98 CO 0.00 -0.14 1.07 -0.94 -0.69 0.00 0.00 174.62 173.92 1x3d s SER 99 N 3.08 5.12 0.34 3.53 1.04 0.20 -4.93 113.70 122.08 1x3d s SER 99 Ca 0.67 1.69 -0.14 0.00 0.48 0.00 0.00 55.95 58.65 1x3d s SER 99 Cb -0.28 -2.50 -0.11 0.00 0.10 0.00 0.00 66.02 63.23 1x3d s SER 99 CO 0.25 -1.62 -0.04 0.61 0.98 0.00 0.00 173.24 173.42 1x3d n GLY 100 N -1.73 -2.20 3.74 7.32 0.00 -1.26 -4.46 105.19 106.60 1x3d n GLY 100 Ca 0.08 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1x3d n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x3d s PHE 101 N -1.37 3.73 1.14 1.61 0.08 -1.26 -4.61 117.98 117.30 1x3d s PHE 101 Ca 0.42 1.48 -0.16 0.00 0.12 0.00 0.00 56.93 58.79 1x3d s PHE 101 Cb -0.40 -2.84 0.18 0.00 -0.57 0.00 0.00 43.02 39.40 1x3d s PHE 101 CO 0.47 0.25 0.44 -1.13 -0.10 0.00 0.00 175.22 175.16 1x3d n SER 102 N 2.88 -2.10 -4.72 1.36 3.41 0.44 -4.86 113.62 110.03 1x3d n SER 102 Ca -0.02 -0.13 -0.42 0.00 -0.26 0.00 0.00 58.87 58.05 1x3d n SER 102 Cb 0.50 -1.09 -0.03 0.00 -0.26 0.00 0.00 64.21 63.33 1x3d n SER 102 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1x3d s GLU 103 N -3.85 4.15 0.05 4.33 8.01 -1.26 -4.66 118.70 125.47 1x3d s GLU 103 Ca 0.61 2.53 -0.31 0.00 0.01 0.00 0.00 54.97 57.82 1x3d s GLU 103 Cb -0.18 -3.09 -0.10 0.00 -4.31 0.00 0.00 34.13 26.45 1x3d s GLU 103 CO 0.66 -0.69 1.93 0.39 0.01 0.00 0.00 175.26 177.56 1x3d n GLU 104 N 3.72 2.77 -4.51 1.61 4.71 -1.26 -4.79 120.64 122.89 1x3d n GLU 104 Ca 0.14 1.02 -0.34 0.00 -0.01 0.00 0.00 57.16 57.97 1x3d n GLU 104 Cb 0.36 -2.94 -0.12 0.00 -1.01 0.00 0.00 31.44 27.73 1x3d n GLU 104 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 1x3d s VAL 105 N 3.94 3.79 -0.14 2.62 -7.23 -0.50 -4.93 120.40 117.96 1x3d s VAL 105 Ca 0.88 -0.42 -0.01 0.00 -1.81 0.00 0.00 61.98 60.62 1x3d s VAL 105 Cb -0.48 -2.61 -0.02 0.00 0.56 0.00 0.00 36.38 33.84 1x3d s VAL 105 CO 0.42 0.54 -0.11 -0.22 -0.31 0.00 0.00 175.10 175.42 1x3d s LEU 106 N -0.17 2.82 0.17 1.32 2.96 -1.26 -0.35 118.68 124.18 1x3d s LEU 106 Ca 0.03 -0.29 0.08 0.00 -0.22 0.00 0.00 54.13 53.72 1x3d s LEU 106 Cb -0.13 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 1x3d s LEU 106 CO 0.03 0.16 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.74 1x3d s TYR 107 N 0.40 1.71 -0.17 5.38 1.51 -0.80 -4.98 117.35 120.40 1x3d s TYR 107 Ca -0.09 -0.51 0.00 0.00 -1.01 0.00 0.00 57.07 55.46 1x3d s TYR 107 Cb -0.15 -0.84 0.04 0.00 -0.11 0.00 0.00 41.96 40.89 1x3d s TYR 107 CO 0.05 0.30 -0.10 0.71 -1.11 0.00 0.00 175.55 175.40 1x3d s TYR 108 N -2.31 2.05 1.00 2.71 1.51 -1.26 -1.99 117.35 119.06 1x3d s TYR 108 Ca 0.16 -1.26 -0.19 0.00 -1.01 0.00 0.00 57.07 54.76 1x3d s TYR 108 Cb -0.04 -1.49 -0.11 0.00 -0.11 0.00 0.00 41.96 40.21 1x3d s TYR 108 CO 0.06 -0.66 -0.74 0.25 -1.11 0.00 0.00 175.55 173.35 1x3d n THR 109 N 4.79 0.00 -0.31 -0.71 -2.24 -1.13 -4.77 114.28 109.91 1x3d n THR 109 Ca -0.14 -0.29 -0.08 0.00 -2.27 0.00 0.00 64.05 61.26 1x3d n THR 109 Cb 0.48 -0.16 -0.07 0.00 -2.10 0.00 0.00 70.33 68.48 1x3d n THR 109 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1x3d n SER 110 N 2.19 -0.79 0.00 3.42 2.88 -1.24 -4.24 113.62 115.85 1x3d n SER 110 Ca -0.00 1.39 0.00 0.00 -1.33 0.00 0.00 58.87 58.93 1x3d n SER 110 Cb 0.62 -0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 1x3d n SER 110 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x3d n GLY 111 N -1.19 2.94 3.16 0.46 0.00 -1.26 -4.62 105.19 104.68 1x3d n GLY 111 Ca 0.01 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 1x3d n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x3d s SER 113 N -2.67 5.39 0.00 0.00 1.04 -1.26 -5.07 113.70 111.12 1x3d s SER 113 Ca 0.57 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 56.38 1x3d s SER 113 Cb -0.11 -0.32 0.00 0.00 0.10 0.00 0.00 66.02 65.69 1x3d s SER 113 CO 0.49 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 174.38 1x3d n GLY 114 N -1.93 4.64 0.00 7.32 0.00 -1.26 -5.01 105.19 108.95 1x3d n GLY 114 Ca 0.09 -1.29 0.08 0.00 0.00 0.00 0.00 46.02 44.90 1x3d n GLY 114 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x3d n PRO 115 N 0.00 0.42 -1.24 1.61 -0.04 -1.26 -4.87 135.00 129.62 1x3d n PRO 115 Ca 0.00 0.04 -0.48 0.00 -0.04 0.00 0.00 63.50 63.01 1x3d n PRO 115 Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 1x3d n PRO 115 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1x3d n SER 116 N -1.07 0.67 -3.76 3.54 3.41 -1.26 -4.92 113.62 110.24 1x3d n SER 116 Ca 0.11 0.86 -0.20 0.00 -0.26 0.00 0.00 58.87 59.38 1x3d n SER 116 Cb 0.07 -0.65 0.12 0.00 -0.26 0.00 0.00 64.21 63.49 1x3d n SER 116 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x3d n SER 117 N 2.49 0.66 0.00 4.04 7.64 -1.26 -5.23 113.62 121.95 1x3d n SER 117 Ca 0.21 -1.68 0.00 0.00 1.01 0.00 0.00 58.87 58.41 1x3d n SER 117 Cb -0.02 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 1x3d n SER 117 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64