#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3d s SER 2 N 0.00 2.28 -0.14 1.61 0.15 -1.26 -5.08 113.70 111.26 1x3d s SER 2 Ca 0.00 -1.46 -0.21 0.00 0.70 0.00 0.00 55.95 54.98 1x3d s SER 2 Cb 0.00 0.13 -0.18 0.00 -1.71 0.00 0.00 66.02 64.25 1x3d s SER 2 CO 0.00 -0.72 0.50 0.28 1.20 0.00 0.00 173.24 174.50 1x3d h SER 3 N 2.07 0.00 -3.43 5.45 0.02 -2.16 -3.51 113.55 111.99 1x3d h SER 3 Ca -0.39 -0.68 0.00 0.00 -0.84 0.00 0.00 61.79 59.88 1x3d h SER 3 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1x3d h SER 3 CO 0.65 0.91 0.00 0.61 -1.14 0.00 0.00 176.83 177.86 1x3d n GLY 4 N 1.64 1.92 3.69 -3.77 0.00 -1.26 -5.17 105.19 102.24 1x3d n GLY 4 Ca -0.09 -1.75 -0.08 0.00 0.00 0.00 0.00 46.02 44.09 1x3d n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x3d s SER 5 N 0.00 -0.25 0.29 1.61 0.01 -1.26 -5.18 113.70 108.92 1x3d s SER 5 Ca 0.00 -0.60 0.12 0.00 1.31 0.00 0.00 55.95 56.78 1x3d s SER 5 Cb 0.00 0.66 -0.05 0.00 0.21 0.00 0.00 66.02 66.83 1x3d s SER 5 CO 0.00 -1.21 -0.18 -0.55 0.41 0.00 0.00 173.24 171.71 1x3d s SER 6 N -2.92 3.64 -1.02 2.44 0.15 -1.26 -5.08 113.70 109.65 1x3d s SER 6 Ca 0.12 -1.05 -0.15 0.00 0.70 0.00 0.00 55.95 55.57 1x3d s SER 6 Cb -0.03 -0.32 0.18 0.00 -1.71 0.00 0.00 66.02 64.13 1x3d s SER 6 CO 0.04 0.00 1.16 -0.83 1.20 0.00 0.00 173.24 174.80 1x3d s GLY 7 N -3.53 2.37 -0.25 9.45 0.00 -1.26 -4.77 107.32 109.33 1x3d s GLY 7 Ca 0.30 -3.19 0.10 0.00 0.00 0.00 0.00 44.72 41.94 1x3d s GLY 7 CO 0.15 1.80 1.19 0.00 0.00 0.00 0.00 173.10 176.25 1x3d n ALA 8 N 5.32 4.30 -0.67 3.20 0.00 -1.26 -4.84 120.51 126.56 1x3d n ALA 8 Ca 0.26 -3.50 -0.05 0.00 0.00 0.00 0.00 53.44 50.15 1x3d n ALA 8 Cb 0.46 -0.39 -0.02 0.00 0.00 0.00 0.00 19.45 19.50 1x3d n ALA 8 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1x3d n GLU 9 N -0.79 1.32 -2.44 0.00 1.02 -1.26 -4.92 120.64 113.58 1x3d n GLU 9 Ca 0.32 -0.46 -0.38 0.00 -0.02 0.00 0.00 57.16 56.62 1x3d n GLU 9 Cb 0.87 -1.29 -0.03 0.00 -0.02 0.00 0.00 31.44 30.97 1x3d n GLU 9 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1x3d s ILE 10 N -0.23 3.47 -0.30 -3.67 -4.36 -1.26 -5.04 121.20 109.80 1x3d s ILE 10 Ca 0.17 1.23 -0.14 0.00 -0.26 0.00 0.00 60.65 61.66 1x3d s ILE 10 Cb 0.10 -3.69 0.16 0.00 1.25 0.00 0.00 42.46 40.27 1x3d s ILE 10 CO -0.01 0.11 0.90 0.12 0.24 0.00 0.00 174.94 176.31 1x3d s PHE 11 N -1.46 -0.84 -1.17 1.37 5.36 -1.26 -4.98 117.98 115.00 1x3d s PHE 11 Ca 0.55 1.47 -0.01 0.00 -0.96 0.00 0.00 56.93 57.98 1x3d s PHE 11 Cb -0.27 0.51 -0.01 0.00 -0.34 0.00 0.00 43.02 42.91 1x3d s PHE 11 CO 0.34 -0.42 0.98 2.41 -1.46 0.00 0.00 175.22 177.07 1x3d n THR 12 N 5.05 -6.23 -0.64 0.12 -1.04 -1.26 -4.96 114.28 105.31 1x3d n THR 12 Ca -0.10 -0.58 -0.31 0.00 -2.04 0.00 0.00 64.05 61.01 1x3d n THR 12 Cb 0.52 -5.12 0.19 0.00 -1.82 0.00 0.00 70.33 64.09 1x3d n THR 12 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1x3d n THR 13 N -3.99 0.00 -1.38 12.58 -2.24 -1.26 -4.90 114.28 113.09 1x3d n THR 13 Ca -0.26 -0.31 -0.26 0.00 -2.27 0.00 0.00 64.05 60.95 1x3d n THR 13 Cb 0.66 -0.71 0.13 0.00 -2.10 0.00 0.00 70.33 68.31 1x3d n THR 13 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1x3d n LEU 14 N -2.44 6.65 -3.95 3.22 4.32 -1.26 -4.84 117.00 118.70 1x3d n LEU 14 Ca 0.02 -4.03 -0.30 0.00 -0.02 0.00 0.00 56.01 51.68 1x3d n LEU 14 Cb 0.59 -0.83 -0.15 0.00 -1.62 0.00 0.00 43.42 41.42 1x3d n LEU 14 CO 0.53 1.36 -0.28 -0.44 -1.22 0.00 0.00 177.39 177.34 1x3d s SER 15 N -1.90 4.47 0.21 -1.43 0.01 -1.26 -4.99 113.70 108.81 1x3d s SER 15 Ca 0.58 -2.40 -0.05 0.00 1.31 0.00 0.00 55.95 55.39 1x3d s SER 15 Cb 0.48 -1.51 -0.03 0.00 0.21 0.00 0.00 66.02 65.17 1x3d s SER 15 CO 0.04 -0.33 0.24 0.00 0.41 0.00 0.00 173.24 173.60 1x3d s GLU 17 N -4.10 4.01 1.01 0.00 1.03 -1.26 -4.88 118.70 114.51 1x3d s GLU 17 Ca 0.32 1.01 -0.12 0.00 0.03 0.00 0.00 54.97 56.21 1x3d s GLU 17 Cb 0.04 -2.14 0.20 0.00 -0.80 0.00 0.00 34.13 31.43 1x3d s GLU 17 CO 0.10 -0.22 1.09 -1.25 -1.33 0.00 0.00 175.26 173.65 1x3d s PRO 18 N -3.81 0.32 0.76 -4.83 0.04 -1.26 -5.00 135.00 121.22 1x3d s PRO 18 Ca 0.60 0.49 -0.13 0.00 0.04 0.00 0.00 61.00 61.99 1x3d s PRO 18 Cb -0.10 -1.73 0.05 0.00 0.04 0.00 0.00 34.50 32.77 1x3d s PRO 18 CO 0.26 -2.80 1.15 0.34 0.04 0.00 0.00 177.00 175.99 1x3d s ASP 19 N -3.45 4.23 -0.13 6.66 2.15 -1.26 -4.68 116.67 120.19 1x3d s ASP 19 Ca 0.66 2.13 -0.29 0.00 0.43 0.00 0.00 52.55 55.47 1x3d s ASP 19 Cb -0.19 -2.56 -0.02 0.00 -0.30 0.00 0.00 42.92 39.85 1x3d s ASP 19 CO 0.58 -2.23 1.22 -0.63 -0.17 0.00 0.00 175.17 173.95 1x3d s ILE 20 N -2.39 4.30 0.23 4.11 1.01 -1.26 -4.72 121.20 122.49 1x3d s ILE 20 Ca 0.68 1.59 -0.30 0.00 0.00 0.00 0.00 60.65 62.63 1x3d s ILE 20 Cb -0.23 -4.03 -0.09 0.00 0.01 0.00 0.00 42.46 38.12 1x3d s ILE 20 CO 0.49 -0.09 1.28 -2.16 0.00 0.00 0.00 174.94 174.46 1x3d s PRO 21 N 3.00 4.41 0.91 2.79 0.04 -1.26 -4.98 135.00 139.90 1x3d s PRO 21 Ca 0.54 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 63.51 1x3d s PRO 21 Cb -0.22 -3.17 0.07 0.00 0.04 0.00 0.00 34.50 31.22 1x3d s PRO 21 CO 0.17 -0.18 0.74 0.27 0.04 0.00 0.00 177.00 178.03 1x3d n ASN 22 N 2.12 -0.91 -4.77 6.66 0.23 -1.26 -4.16 115.26 113.17 1x3d n ASN 22 Ca 0.04 0.41 -0.39 0.00 -0.53 0.00 0.00 54.58 54.11 1x3d n ASN 22 Cb 0.43 -1.33 -0.02 0.00 -2.08 0.00 0.00 39.78 36.78 1x3d n ASN 22 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 1x3d s PRO 23 N -3.93 4.10 0.60 -0.53 0.04 -1.26 -4.72 135.00 129.30 1x3d s PRO 23 Ca 0.63 1.91 -0.17 0.00 0.04 0.00 0.00 61.00 63.40 1x3d s PRO 23 Cb -0.24 -2.75 -0.03 0.00 0.04 0.00 0.00 34.50 31.53 1x3d s PRO 23 CO 0.62 -0.30 1.12 -1.25 0.04 0.00 0.00 177.00 177.23 1x3d s PRO 24 N -2.20 3.08 0.42 0.56 0.04 -1.26 -4.95 135.00 130.70 1x3d s PRO 24 Ca 0.56 1.50 0.07 0.00 0.04 0.00 0.00 61.00 63.17 1x3d s PRO 24 Cb -0.32 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.21 1x3d s PRO 24 CO 0.41 -1.05 0.30 -0.98 0.04 0.00 0.00 177.00 175.72 1x3d s ARG 25 N -3.69 2.38 -0.22 4.56 1.70 0.61 -4.87 118.95 119.42 1x3d s ARG 25 Ca 0.70 -1.70 -0.13 0.00 -0.47 0.00 0.00 55.73 54.13 1x3d s ARG 25 Cb -0.22 -2.19 -0.05 0.00 -0.57 0.00 0.00 34.95 31.92 1x3d s ARG 25 CO 0.34 -0.19 0.26 0.42 -1.08 0.00 0.00 175.30 175.05 1x3d s ILE 26 N -2.55 5.30 -0.11 4.99 -1.09 -1.26 -1.10 121.20 125.38 1x3d s ILE 26 Ca 0.44 0.41 0.04 0.00 -2.23 0.00 0.00 60.65 59.31 1x3d s ILE 26 Cb -0.00 -3.60 -0.05 0.00 -1.58 0.00 0.00 42.46 37.23 1x3d s ILE 26 CO 0.25 0.32 0.13 0.00 -1.23 0.00 0.00 174.94 174.40 1x3d n ALA 27 N 4.27 2.34 -3.19 9.38 0.00 -1.15 -4.96 120.51 127.20 1x3d n ALA 27 Ca -0.12 -0.10 0.05 0.00 0.00 0.00 0.00 53.44 53.27 1x3d n ALA 27 Cb 0.52 -0.13 -0.03 0.00 0.00 0.00 0.00 19.45 19.81 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 -1.77 -0.28 -0.06 0.00 3.84 -1.25 -5.03 114.94 110.39 1x3d s ASN 28 Ca 0.00 0.25 0.01 0.00 0.21 0.00 0.00 52.86 53.34 1x3d s ASN 28 Cb 0.03 1.27 0.02 0.00 -0.55 0.00 0.00 41.25 42.01 1x3d s ASN 28 CO 0.15 -0.05 -0.08 0.00 -2.79 0.00 0.00 177.10 174.33 1x3d s ARG 29 N 2.67 1.28 0.37 0.43 1.70 -1.26 0.11 118.95 124.25 1x3d s ARG 29 Ca -0.03 -0.24 0.02 0.00 -0.47 0.00 0.00 55.73 55.01 1x3d s ARG 29 Cb -0.07 -1.19 0.02 0.00 -0.57 0.00 0.00 34.95 33.14 1x3d s ARG 29 CO -0.12 -0.08 0.18 0.25 -1.08 0.00 0.00 175.30 174.45 1x3d n THR 30 N 4.14 0.00 0.24 4.99 -2.24 -0.95 -4.16 114.28 116.31 1x3d n THR 30 Ca -0.21 -1.57 0.12 0.00 -2.27 0.00 0.00 64.05 60.12 1x3d n THR 30 Cb 0.51 0.02 0.56 0.00 -2.10 0.00 0.00 70.33 69.32 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 -0.81 -0.78 1.57 -1.91 -3.18 116.57 111.46 1x3d h LYS 31 Ca -0.26 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.15 1x3d h LYS 31 Cb 0.88 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.79 1x3d h LYS 31 CO 0.42 0.16 -1.05 0.09 -0.57 0.00 0.00 179.45 178.50 1x3d n ASN 32 N -3.37 2.42 -3.61 0.86 3.02 -1.26 -0.07 115.26 113.25 1x3d n ASN 32 Ca -0.00 -2.72 0.00 0.00 -0.03 0.00 0.00 54.58 51.83 1x3d n ASN 32 Cb 0.37 -0.47 -0.01 0.00 -0.61 0.00 0.00 39.78 39.06 1x3d n ASN 32 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1x3d s SER 33 N -3.51 -0.07 -0.29 6.41 0.15 -1.22 -2.63 113.70 112.53 1x3d s SER 33 Ca 0.33 -0.11 -0.09 0.00 0.70 0.00 0.00 55.95 56.79 1x3d s SER 33 Cb 0.39 0.16 0.13 0.00 -1.71 0.00 0.00 66.02 64.99 1x3d s SER 33 CO -0.02 -0.28 0.62 -0.76 1.20 0.00 0.00 173.24 174.00 1x3d s LEU 34 N -2.82 -1.14 -0.19 3.45 1.43 -0.20 -2.24 118.68 116.97 1x3d s LEU 34 Ca 0.13 1.43 -0.08 0.00 -1.03 0.00 0.00 54.13 54.58 1x3d s LEU 34 Cb 0.04 2.21 -0.04 0.00 0.03 0.00 0.00 46.19 48.42 1x3d s LEU 34 CO -0.04 -0.23 0.08 -0.89 0.23 0.00 0.00 176.35 175.50 1x3d s THR 35 N 2.87 4.91 -0.06 5.49 2.01 0.31 -0.50 115.64 130.66 1x3d s THR 35 Ca -0.02 0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.02 1x3d s THR 35 Cb -0.12 -3.23 0.01 0.00 0.01 0.00 0.00 72.50 69.17 1x3d s THR 35 CO -0.19 0.44 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.30 1x3d s LEU 36 N 0.49 1.68 0.17 4.42 1.43 -1.05 -2.92 118.68 122.89 1x3d s LEU 36 Ca 0.04 -0.31 0.11 0.00 -1.03 0.00 0.00 54.13 52.94 1x3d s LEU 36 Cb -0.12 -0.84 -0.04 0.00 0.03 0.00 0.00 46.19 45.21 1x3d s LEU 36 CO 0.00 0.04 -0.21 -1.10 0.23 0.00 0.00 176.35 175.32 1x3d s GLN 37 N 0.61 1.63 0.37 1.70 -0.21 -0.26 -2.80 119.66 120.70 1x3d s GLN 37 Ca -0.14 -1.41 -0.13 0.00 0.02 0.00 0.00 55.36 53.71 1x3d s GLN 37 Cb -0.15 -1.95 0.04 0.00 1.00 0.00 0.00 33.01 31.95 1x3d s GLN 37 CO 0.04 0.42 0.71 1.67 -2.12 0.00 0.00 175.29 176.01 1x3d s TRP 38 N -1.51 0.34 0.45 0.91 -2.14 -1.00 -0.28 118.94 115.71 1x3d s TRP 38 Ca 0.20 -0.90 0.03 0.00 2.66 0.00 0.00 56.10 58.09 1x3d s TRP 38 Cb -0.09 0.60 -0.03 0.00 -3.10 0.00 0.00 33.47 30.86 1x3d s TRP 38 CO 0.10 -1.45 0.04 0.15 -2.66 0.00 0.00 176.95 173.13 1x3d s LYS 39 N -2.56 2.04 -0.21 3.25 1.02 -1.26 -4.84 119.74 117.19 1x3d s LYS 39 Ca 0.19 -2.26 -0.10 0.00 0.02 0.00 0.00 55.97 53.83 1x3d s LYS 39 Cb -0.04 -1.24 -0.05 0.00 -0.52 0.00 0.00 37.83 35.98 1x3d s LYS 39 CO 0.13 -0.33 0.12 0.00 -0.92 0.00 0.00 175.35 174.35 1x3d s ALA 40 N -2.98 3.60 1.00 5.17 0.00 -1.26 -4.84 121.76 122.45 1x3d s ALA 40 Ca 0.17 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1x3d s ALA 40 Cb 0.04 -2.15 0.00 0.00 0.00 0.00 0.00 23.12 21.01 1x3d s ALA 40 CO 0.09 0.08 0.00 -0.35 0.00 0.00 0.00 175.76 175.58 1x3d n PRO 41 N 3.71 0.21 -3.01 0.00 -0.04 -1.26 -4.96 135.00 129.65 1x3d n PRO 41 Ca -0.16 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.88 1x3d n PRO 41 Cb 0.52 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.93 1x3d n PRO 41 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x3d s SER 42 N -1.51 6.58 -0.59 3.54 0.15 -1.26 -5.00 113.70 115.60 1x3d s SER 42 Ca 0.00 0.51 -0.27 0.00 0.70 0.00 0.00 55.95 56.88 1x3d s SER 42 Cb 0.00 -2.38 0.01 0.00 -1.71 0.00 0.00 66.02 61.94 1x3d s SER 42 CO 0.00 -0.59 1.47 -1.81 1.20 0.00 0.00 173.24 173.51 1x3d s ASP 43 N 1.67 5.99 -0.39 5.45 1.11 -1.26 -4.23 116.67 125.02 1x3d s ASP 43 Ca 0.30 0.19 -0.17 0.00 0.18 0.00 0.00 52.55 53.05 1x3d s ASP 43 Cb -0.14 -2.55 0.01 0.00 1.07 0.00 0.00 42.92 41.31 1x3d s ASP 43 CO 0.13 -1.84 0.44 0.20 1.18 0.00 0.00 175.17 175.28 1x3d s ASN 44 N 4.92 6.22 0.00 0.27 0.01 -1.26 -4.71 114.94 120.38 1x3d s ASN 44 Ca 0.52 -0.42 0.00 0.00 -0.71 0.00 0.00 52.86 52.25 1x3d s ASN 44 Cb -0.11 -2.23 0.00 0.00 0.41 0.00 0.00 41.25 39.32 1x3d s ASN 44 CO 0.23 -0.50 0.00 0.61 -1.51 0.00 0.00 177.10 175.92 1x3d n GLY 45 N 5.01 1.66 3.23 0.66 0.00 -1.26 -4.73 105.19 109.76 1x3d n GLY 45 Ca -0.07 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 1x3d n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x3d s SER 46 N -4.00 2.86 1.00 1.61 0.01 -1.26 -5.11 113.70 108.80 1x3d s SER 46 Ca 0.00 -0.48 -0.19 0.00 1.31 0.00 0.00 55.95 56.59 1x3d s SER 46 Cb 0.00 -0.85 -0.15 0.00 0.21 0.00 0.00 66.02 65.23 1x3d s SER 46 CO 0.00 0.21 -0.91 2.29 0.41 0.00 0.00 173.24 175.24 1x3d n LYS 47 N 3.06 -0.04 -3.02 12.44 0.00 -1.26 -4.67 118.16 124.67 1x3d n LYS 47 Ca -0.18 -0.01 -0.44 0.00 -0.00 0.00 0.00 58.31 57.68 1x3d n LYS 47 Cb 0.52 -1.05 -0.05 0.00 -0.00 0.00 0.00 35.03 34.46 1x3d n LYS 47 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1x3d s ILE 48 N -2.02 4.65 0.00 0.58 1.01 -1.26 -4.18 121.20 119.97 1x3d s ILE 48 Ca 0.40 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.45 1x3d s ILE 48 Cb -0.11 -4.52 0.00 0.00 0.01 0.00 0.00 42.46 37.84 1x3d s ILE 48 CO 0.78 -1.16 0.58 0.00 0.00 0.00 0.00 174.94 175.14 1x3d n GLN 49 N 6.80 0.00 -4.11 2.79 6.02 -0.60 -4.78 117.38 123.51 1x3d n GLN 49 Ca -0.06 0.58 -0.11 0.00 -0.01 0.00 0.00 57.00 57.39 1x3d n GLN 49 Cb 0.44 -0.94 -0.07 0.00 1.02 0.00 0.00 30.24 30.69 1x3d n GLN 49 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1x3d s ASN 50 N -2.67 0.21 0.03 1.08 6.03 -1.22 -4.78 114.94 113.62 1x3d s ASN 50 Ca 0.00 -1.23 -0.10 0.00 -1.03 0.00 0.00 52.86 50.50 1x3d s ASN 50 Cb 0.00 0.51 -0.05 0.00 -3.03 0.00 0.00 41.25 38.67 1x3d s ASN 50 CO 0.00 -1.03 0.34 -0.36 -2.03 0.00 0.00 177.10 174.02 1x3d s PHE 51 N -3.93 3.61 -0.31 1.54 0.08 0.30 -3.13 117.98 116.14 1x3d s PHE 51 Ca 0.31 0.75 0.01 0.00 0.12 0.00 0.00 56.93 58.12 1x3d s PHE 51 Cb 0.03 -2.12 0.07 0.00 -0.57 0.00 0.00 43.02 40.43 1x3d s PHE 51 CO 0.12 0.59 -0.00 0.08 -0.10 0.00 0.00 175.22 175.91 1x3d s VAL 52 N -1.28 2.58 0.25 -0.44 1.01 -0.51 -2.43 120.40 119.58 1x3d s VAL 52 Ca 0.28 -1.79 -0.04 0.00 0.00 0.00 0.00 61.98 60.44 1x3d s VAL 52 Cb -0.14 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 1x3d s VAL 52 CO 0.15 -0.27 0.50 -0.22 0.00 0.00 0.00 175.10 175.26 1x3d s LEU 53 N 1.10 4.12 0.01 3.92 2.96 -0.29 -2.72 118.68 127.78 1x3d s LEU 53 Ca -0.01 0.63 -0.12 0.00 -0.22 0.00 0.00 54.13 54.40 1x3d s LEU 53 Cb -0.20 -3.42 0.02 0.00 0.50 0.00 0.00 46.19 43.08 1x3d s LEU 53 CO -0.04 -0.13 0.26 -1.61 -1.32 0.00 0.00 176.35 173.50 1x3d s GLU 54 N -3.39 0.66 0.11 1.98 2.02 -0.97 -0.75 118.70 118.36 1x3d s GLU 54 Ca 0.42 -0.35 -0.21 0.00 0.02 0.00 0.00 54.97 54.85 1x3d s GLU 54 Cb -0.11 0.29 0.05 0.00 0.10 0.00 0.00 34.13 34.46 1x3d s GLU 54 CO 0.29 -0.19 0.52 1.67 0.02 0.00 0.00 175.26 177.57 1x3d s TRP 55 N -1.73 -0.41 -0.22 1.61 1.48 -1.11 -1.48 118.94 117.09 1x3d s TRP 55 Ca -0.11 0.26 0.01 0.00 -1.06 0.00 0.00 56.10 55.21 1x3d s TRP 55 Cb -0.04 0.40 0.28 0.00 -1.16 0.00 0.00 33.47 32.94 1x3d s TRP 55 CO 0.01 -0.73 1.52 -3.47 -4.06 0.00 0.00 176.95 170.22 1x3d n ASP 56 N -0.05 3.92 -2.53 -2.66 2.03 -1.17 -2.52 116.55 113.56 1x3d n ASP 56 Ca -0.17 -2.77 -0.05 0.00 0.52 0.00 0.00 54.79 52.32 1x3d n ASP 56 Cb 0.63 -0.73 -0.01 0.00 -0.72 0.00 0.00 41.12 40.29 1x3d n ASP 56 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1x3d n GLU 57 N -0.10 -2.55 -4.25 -0.67 1.02 -1.26 -0.10 120.64 112.74 1x3d n GLU 57 Ca 0.27 0.02 -0.33 0.00 -0.02 0.00 0.00 57.16 57.09 1x3d n GLU 57 Cb 0.93 -4.07 -0.06 0.00 -0.02 0.00 0.00 31.44 28.22 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 -0.52 -0.27 0.13 0.62 0.00 -1.26 -4.85 105.19 99.04 1x3d n GLY 58 Ca 0.01 0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 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 -4.40 0.60 -0.01 1.61 5.02 0.86 -4.81 118.16 117.03 1x3d n LYS 59 Ca -0.15 0.31 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 1x3d n LYS 59 Cb 0.60 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 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 1.41 1.15 0.29 0.72 0.00 -1.26 -5.03 105.19 102.46 1x3d n GLY 60 Ca -0.49 -0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.46 1x3d n GLY 60 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x3d n ASN 61 N 0.00 2.40 0.00 1.61 0.23 -1.26 -5.06 115.26 113.18 1x3d n ASN 61 Ca 0.00 0.01 0.00 0.00 -0.53 0.00 0.00 54.58 54.06 1x3d n ASN 61 Cb 0.00 -0.17 0.00 0.00 -2.08 0.00 0.00 39.78 37.53 1x3d n ASN 61 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1x3d n GLY 62 N 2.89 1.69 2.93 4.83 0.00 -1.26 -5.12 105.19 111.15 1x3d n GLY 62 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 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 1.61 -0.08 1.61 0.41 -1.26 -5.12 118.70 115.73 1x3d s GLU 63 Ca 0.00 -0.93 -0.14 0.00 -0.41 0.00 0.00 54.97 53.49 1x3d s GLU 63 Cb 0.00 -2.53 -0.05 0.00 -1.78 0.00 0.00 34.13 29.77 1x3d s GLU 63 CO 0.00 -0.58 0.35 -0.06 -0.49 0.00 0.00 175.26 174.48 1x3d s PHE 64 N 1.43 3.60 0.06 1.61 0.40 -1.26 -4.26 117.98 119.56 1x3d s PHE 64 Ca -0.05 0.80 0.04 0.00 -0.60 0.00 0.00 56.93 57.12 1x3d s PHE 64 Cb -0.18 -2.29 -0.03 0.00 0.51 0.00 0.00 43.02 41.03 1x3d s PHE 64 CO -0.06 0.47 -0.11 0.00 0.70 0.00 0.00 175.22 176.21 1x3d n GLN 66 N 1.41 1.37 -0.09 0.00 7.27 -1.26 -2.73 117.38 123.35 1x3d n GLN 66 Ca -0.22 0.43 -0.13 0.00 0.07 0.00 0.00 57.00 57.15 1x3d n GLN 66 Cb 0.54 -2.49 -0.06 0.00 2.41 0.00 0.00 30.24 30.64 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 -2.36 0.44 -0.18 0.00 6.14 -1.25 -5.01 117.35 115.13 1x3d s TYR 68 Ca -0.23 -0.06 -0.01 0.00 0.64 0.00 0.00 57.07 57.41 1x3d s TYR 68 Cb 0.05 -0.49 0.05 0.00 0.42 0.00 0.00 41.96 41.99 1x3d s TYR 68 CO 0.40 -0.15 -0.02 1.41 0.64 0.00 0.00 175.55 177.82 1x3d s MET 69 N 1.03 1.15 0.01 4.97 1.75 -1.26 -1.14 119.30 125.81 1x3d s MET 69 Ca -0.10 -0.54 -0.03 0.00 -1.25 0.00 0.00 55.69 53.78 1x3d s MET 69 Cb -0.14 -2.09 0.01 0.00 2.84 0.00 0.00 34.83 35.46 1x3d s MET 69 CO -0.01 -0.53 0.13 0.41 -0.65 0.00 0.00 175.02 174.38 1x3d n GLY 70 N 4.91 0.80 0.14 2.11 0.00 -1.02 -4.95 105.19 107.18 1x3d n GLY 70 Ca -0.11 -0.89 -0.21 0.00 0.00 0.00 0.00 46.02 44.82 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 0.22 0.66 -2.91 1.61 0.87 -1.89 0.88 113.55 113.00 1x3d h SER 71 Ca -0.03 -0.86 -0.59 0.00 -1.23 0.00 0.00 61.79 59.08 1x3d h SER 71 Cb 0.13 -0.21 0.16 0.00 -0.44 0.00 0.00 62.40 62.04 1x3d h SER 71 CO 0.04 1.47 -0.27 0.00 -0.53 0.00 0.00 176.83 177.54 1x3d n GLN 72 N -3.99 0.67 -0.37 2.24 6.02 -1.26 -4.73 117.38 115.96 1x3d n GLN 72 Ca -0.13 0.25 0.08 0.00 -0.01 0.00 0.00 57.00 57.19 1x3d n GLN 72 Cb 0.88 -1.75 0.25 0.00 1.02 0.00 0.00 30.24 30.63 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 0.01 3.10 -3.83 -1.09 5.02 -1.26 -4.80 118.16 115.30 1x3d n LYS 73 Ca 0.11 -2.50 -0.15 0.00 -2.02 0.00 0.00 58.31 53.75 1x3d n LYS 73 Cb 0.45 -1.59 -0.16 0.00 -0.02 0.00 0.00 35.03 33.71 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 -1.63 0.08 -0.03 1.97 0.74 -1.26 -2.37 119.66 117.16 1x3d s GLN 74 Ca 0.37 0.14 -0.01 0.00 0.05 0.00 0.00 55.36 55.90 1x3d s GLN 74 Cb 0.24 -0.31 0.02 0.00 1.10 0.00 0.00 33.01 34.06 1x3d s GLN 74 CO 0.18 -0.14 0.06 0.12 -0.55 0.00 0.00 175.29 174.96 1x3d s PHE 75 N 0.97 -0.04 -0.36 1.67 5.36 -1.12 -5.03 117.98 119.42 1x3d s PHE 75 Ca -0.09 0.20 -0.07 0.00 -0.96 0.00 0.00 56.93 56.01 1x3d s PHE 75 Cb -0.12 -0.10 0.05 0.00 -0.34 0.00 0.00 43.02 42.51 1x3d s PHE 75 CO -0.02 -0.08 0.14 0.21 -1.46 0.00 0.00 175.22 174.01 1x3d s LYS 76 N 0.63 2.58 -0.61 10.12 2.20 -1.26 -2.53 119.74 130.88 1x3d s LYS 76 Ca -0.05 -1.27 -0.27 0.00 -0.36 0.00 0.00 55.97 54.01 1x3d s LYS 76 Cb -0.07 -3.54 0.03 0.00 -1.51 0.00 0.00 37.83 32.74 1x3d s LYS 76 CO -0.02 -0.75 1.17 0.42 -0.36 0.00 0.00 175.35 175.81 1x3d s ILE 77 N 1.39 4.02 0.53 5.43 1.01 0.34 -4.85 121.20 129.07 1x3d s ILE 77 Ca -0.00 0.71 -0.01 0.00 0.00 0.00 0.00 60.65 61.36 1x3d s ILE 77 Cb -0.20 -4.74 0.11 0.00 0.01 0.00 0.00 42.46 37.63 1x3d s ILE 77 CO 0.02 -1.41 0.72 0.35 0.00 0.00 0.00 174.94 174.62 1x3d n THR 78 N 6.55 0.00 -3.34 2.92 -2.24 -1.26 -1.03 114.28 115.87 1x3d n THR 78 Ca 0.06 -1.10 -0.17 0.00 -2.27 0.00 0.00 64.05 60.57 1x3d n THR 78 Cb 0.49 -1.06 0.08 0.00 -2.10 0.00 0.00 70.33 67.73 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 -2.34 -6.32 -3.54 -0.78 4.76 -1.08 -4.85 118.16 104.01 1x3d n LYS 79 Ca 0.12 0.74 -0.21 0.00 -2.87 0.00 0.00 58.31 56.08 1x3d n LYS 79 Cb 0.42 -5.46 -0.02 0.00 -1.84 0.00 0.00 35.03 28.12 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 -4.04 0.00 -4.23 -0.35 4.77 -1.16 -4.97 117.00 107.03 1x3d n LEU 80 Ca -0.15 -2.20 -0.18 0.00 -0.03 0.00 0.00 56.01 53.45 1x3d n LEU 80 Cb 0.61 0.10 -0.11 0.00 -2.33 0.00 0.00 43.42 41.69 1x3d n LEU 80 CO 0.55 -0.42 -0.45 -0.44 -1.33 0.00 0.00 177.39 175.30 1x3d s SER 81 N -3.22 1.93 0.39 -1.43 0.01 -1.19 -4.07 113.70 106.13 1x3d s SER 81 Ca 0.13 -0.78 -0.26 0.00 1.31 0.00 0.00 55.95 56.35 1x3d s SER 81 Cb -0.01 -0.06 -0.09 0.00 0.21 0.00 0.00 66.02 66.07 1x3d s SER 81 CO 0.08 -0.14 1.19 -2.16 0.41 0.00 0.00 173.24 172.63 1x3d s PRO 82 N -2.51 4.07 -1.02 12.44 0.04 0.90 -3.64 135.00 145.28 1x3d s PRO 82 Ca 0.07 1.90 -0.02 0.00 0.04 0.00 0.00 61.00 63.00 1x3d s PRO 82 Cb -0.06 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.76 1x3d s PRO 82 CO 0.03 -0.33 0.86 0.00 0.04 0.00 0.00 177.00 177.60 1x3d n ALA 83 N 0.15 -1.52 -3.91 8.56 0.00 -1.26 -4.86 120.51 117.66 1x3d n ALA 83 Ca 0.04 0.04 -0.30 0.00 0.00 0.00 0.00 53.44 53.22 1x3d n ALA 83 Cb 0.46 -2.67 -0.14 0.00 0.00 0.00 0.00 19.45 17.09 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 -5.34 1.67 -0.08 0.00 0.00 -1.24 -4.96 119.30 109.36 1x3d s MET 84 Ca 0.11 -2.26 -0.29 0.00 0.00 0.00 0.00 55.69 53.25 1x3d s MET 84 Cb -0.05 -3.05 -0.06 0.00 0.00 0.00 0.00 34.83 31.67 1x3d s MET 84 CO 0.60 -1.07 1.91 0.20 0.00 0.00 0.00 175.02 176.66 1x3d s GLY 85 N 0.19 1.22 -0.01 2.11 0.00 -1.26 -4.05 107.32 105.53 1x3d s GLY 85 Ca 0.15 1.00 0.04 0.00 0.00 0.00 0.00 44.72 45.91 1x3d s GLY 85 CO -0.03 3.40 -0.12 0.00 0.00 0.00 0.00 173.10 176.35 1x3d s LYS 87 N -0.28 3.46 0.15 0.00 1.02 -1.26 -1.00 119.74 121.84 1x3d s LYS 87 Ca 0.04 -0.57 -0.09 0.00 0.02 0.00 0.00 55.97 55.37 1x3d s LYS 87 Cb -0.04 -2.82 -0.01 0.00 -0.52 0.00 0.00 37.83 34.44 1x3d s LYS 87 CO -0.00 0.35 0.26 -0.06 -0.92 0.00 0.00 175.35 174.97 1x3d s PHE 88 N -2.05 0.38 -0.15 3.18 0.40 -0.67 -3.04 117.98 116.02 1x3d s PHE 88 Ca 0.36 -0.75 -0.24 0.00 -0.60 0.00 0.00 56.93 55.70 1x3d s PHE 88 Cb -0.10 -0.07 0.06 0.00 0.51 0.00 0.00 43.02 43.42 1x3d s PHE 88 CO 0.31 -0.68 0.61 -0.98 0.70 0.00 0.00 175.22 175.17 1x3d s ARG 89 N -3.95 0.82 0.03 0.44 1.70 -0.55 -2.05 118.95 115.39 1x3d s ARG 89 Ca 0.16 0.57 0.05 0.00 -0.47 0.00 0.00 55.73 56.03 1x3d s ARG 89 Cb 0.04 0.39 -0.03 0.00 -0.57 0.00 0.00 34.95 34.78 1x3d s ARG 89 CO -0.02 -0.17 -0.10 -1.17 -1.08 0.00 0.00 175.30 172.76 1x3d s LEU 90 N -0.31 3.02 -0.12 -1.89 2.96 -1.26 -2.29 118.68 118.79 1x3d s LEU 90 Ca -0.05 -0.25 -0.14 0.00 -0.22 0.00 0.00 54.13 53.48 1x3d s LEU 90 Cb -0.03 -1.76 0.04 0.00 0.50 0.00 0.00 46.19 44.94 1x3d s LEU 90 CO 0.04 0.26 0.38 -0.94 -1.32 0.00 0.00 176.35 174.77 1x3d s SER 91 N -1.55 -0.37 -0.16 3.68 1.04 -1.10 0.18 113.70 115.41 1x3d s SER 91 Ca 0.17 0.65 -0.07 0.00 0.48 0.00 0.00 55.95 57.19 1x3d s SER 91 Cb -0.11 0.70 -0.04 0.00 0.10 0.00 0.00 66.02 66.67 1x3d s SER 91 CO 0.08 -0.20 0.07 0.00 0.98 0.00 0.00 173.24 174.17 1x3d s ALA 92 N -0.08 3.47 -0.09 5.32 0.00 -1.26 -1.43 121.76 127.68 1x3d s ALA 92 Ca -0.03 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.23 1x3d s ALA 92 Cb -0.03 -1.89 0.01 0.00 0.00 0.00 0.00 23.12 21.21 1x3d s ALA 92 CO 0.01 0.28 -0.18 0.50 0.00 0.00 0.00 175.76 176.38 1x3d s ARG 93 N 0.04 2.40 0.26 0.00 3.52 -1.18 -0.25 118.95 123.73 1x3d s ARG 93 Ca 0.06 -0.65 0.00 0.00 -0.13 0.00 0.00 55.73 55.01 1x3d s ARG 93 Cb -0.12 -1.90 -0.00 0.00 -1.56 0.00 0.00 34.95 31.37 1x3d s ARG 93 CO 0.01 0.07 0.01 0.27 -0.81 0.00 0.00 175.30 174.85 1x3d n ASN 94 N 3.77 2.48 -0.47 -2.12 0.23 -0.63 -1.55 115.26 116.97 1x3d n ASN 94 Ca -0.21 -2.15 0.39 0.00 -0.53 0.00 0.00 54.58 52.08 1x3d n ASN 94 Cb 0.52 0.24 0.67 0.00 -2.08 0.00 0.00 39.78 39.13 1x3d n ASN 94 CO 0.00 0.00 0.00 -0.78 -0.93 0.00 0.00 177.26 175.55 1x3d h ASP 95 N 0.67 0.21 0.03 0.53 3.58 -1.83 -1.78 116.42 117.82 1x3d h ASP 95 Ca -0.21 0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.36 1x3d h ASP 95 Cb 0.66 0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.82 1x3d h ASP 95 CO 0.35 -0.16 -0.01 1.88 -2.88 0.00 0.00 179.24 178.41 1x3d h TYR 96 N 0.07 -0.03 -1.32 0.28 -1.99 -1.93 -3.50 116.97 108.54 1x3d h TYR 96 Ca 0.83 -0.00 0.06 0.00 2.00 0.00 0.00 58.73 61.61 1x3d h TYR 96 Cb 2.69 0.01 -0.01 0.00 2.00 0.00 0.00 36.73 41.42 1x3d h TYR 96 CO -0.00 -0.02 0.15 0.41 -0.00 0.00 0.00 178.16 178.69 1x3d n GLY 97 N 0.64 0.58 3.61 3.88 0.00 -0.67 -5.08 105.19 108.15 1x3d n GLY 97 Ca -0.00 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.14 4.88 0.50 2.61 2.01 -1.26 -1.60 115.64 120.65 1x3d s THR 98 Ca 0.05 1.10 -0.19 0.00 0.31 0.00 0.00 61.69 62.96 1x3d s THR 98 Cb -0.00 -4.05 -0.08 0.00 0.01 0.00 0.00 72.50 68.38 1x3d s THR 98 CO -0.00 -0.14 1.03 -0.94 -0.69 0.00 0.00 174.62 173.88 1x3d s SER 99 N 1.57 6.32 0.21 3.53 1.04 0.65 -4.93 113.70 122.08 1x3d s SER 99 Ca 0.29 1.86 -0.18 0.00 0.48 0.00 0.00 55.95 58.40 1x3d s SER 99 Cb -0.15 -2.55 -0.12 0.00 0.10 0.00 0.00 66.02 63.31 1x3d s SER 99 CO 0.11 -0.80 0.23 0.61 0.98 0.00 0.00 173.24 174.37 1x3d n GLY 100 N -0.52 -1.55 3.76 7.32 0.00 -1.26 -4.20 105.19 108.74 1x3d n GLY 100 Ca 0.09 0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.92 1.91 0.64 1.61 0.40 -1.26 -4.51 117.98 115.85 1x3d s PHE 101 Ca 0.44 0.71 -0.07 0.00 -0.60 0.00 0.00 56.93 57.41 1x3d s PHE 101 Cb -0.57 -3.50 0.02 0.00 0.51 0.00 0.00 43.02 39.48 1x3d s PHE 101 CO 0.42 -2.79 0.97 -1.54 0.70 0.00 0.00 175.22 172.98 1x3d s SER 102 N -4.07 5.34 0.24 1.36 1.04 0.46 -4.84 113.70 113.23 1x3d s SER 102 Ca 0.67 0.71 -0.31 0.00 0.48 0.00 0.00 55.95 57.50 1x3d s SER 102 Cb -0.12 -1.57 -0.13 0.00 0.10 0.00 0.00 66.02 64.29 1x3d s SER 102 CO 0.54 -1.26 1.46 -0.62 0.98 0.00 0.00 173.24 174.34 1x3d n GLU 103 N -2.75 2.16 -1.67 4.02 1.02 -1.26 -4.52 120.64 117.65 1x3d n GLU 103 Ca 0.06 0.77 -0.43 0.00 -0.02 0.00 0.00 57.16 57.54 1x3d n GLU 103 Cb 0.58 -2.46 -0.03 0.00 -0.02 0.00 0.00 31.44 29.51 1x3d n GLU 103 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1x3d n GLU 104 N 2.19 2.77 -3.98 3.49 -0.58 -1.26 -4.76 120.64 118.51 1x3d n GLU 104 Ca 0.12 1.01 -0.35 0.00 -0.42 0.00 0.00 57.16 57.52 1x3d n GLU 104 Cb 0.32 -2.95 -0.14 0.00 -0.57 0.00 0.00 31.44 28.10 1x3d n GLU 104 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1x3d s VAL 105 N 4.18 3.40 -0.13 2.62 -7.23 -0.87 -4.93 120.40 117.43 1x3d s VAL 105 Ca 0.89 -0.49 -0.20 0.00 -1.81 0.00 0.00 61.98 60.37 1x3d s VAL 105 Cb -0.48 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 33.89 1x3d s VAL 105 CO 0.43 0.43 0.55 -0.22 -0.31 0.00 0.00 175.10 175.98 1x3d s LEU 106 N 1.36 4.24 0.09 1.32 2.96 -1.26 -1.67 118.68 125.72 1x3d s LEU 106 Ca 0.04 0.87 0.06 0.00 -0.22 0.00 0.00 54.13 54.88 1x3d s LEU 106 Cb -0.14 -2.81 -0.03 0.00 0.50 0.00 0.00 46.19 43.71 1x3d s LEU 106 CO -0.02 -0.10 -0.15 -0.31 -1.32 0.00 0.00 176.35 174.45 1x3d s TYR 107 N 1.03 1.35 -0.14 5.38 2.02 -0.17 -4.97 117.35 121.85 1x3d s TYR 107 Ca 0.28 -0.49 -0.00 0.00 -0.37 0.00 0.00 57.07 56.49 1x3d s TYR 107 Cb -0.16 -0.73 0.03 0.00 -0.40 0.00 0.00 41.96 40.70 1x3d s TYR 107 CO 0.12 0.10 -0.07 0.71 -1.57 0.00 0.00 175.55 174.84 1x3d s TYR 108 N -1.58 1.61 0.86 2.71 1.51 -1.26 -0.30 117.35 120.89 1x3d s TYR 108 Ca 0.03 -0.91 -0.17 0.00 -1.01 0.00 0.00 57.07 55.01 1x3d s TYR 108 Cb -0.08 -1.29 -0.15 0.00 -0.11 0.00 0.00 41.96 40.34 1x3d s TYR 108 CO 0.03 -0.57 -0.62 0.25 -1.11 0.00 0.00 175.55 173.53 1x3d n THR 109 N 4.91 0.00 0.24 -0.71 -2.24 -1.26 -4.69 114.28 110.53 1x3d n THR 109 Ca -0.12 -0.49 0.13 0.00 -2.27 0.00 0.00 64.05 61.29 1x3d n THR 109 Cb 0.49 0.00 0.70 0.00 -2.10 0.00 0.00 70.33 69.42 1x3d n THR 109 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1x3d h SER 110 N -0.73 0.00 -0.98 3.42 0.87 -1.71 -2.57 113.55 111.85 1x3d h SER 110 Ca -0.43 0.00 0.29 0.00 -1.23 0.00 0.00 61.79 60.42 1x3d h SER 110 Cb 1.32 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 63.14 1x3d h SER 110 CO 0.28 0.00 0.52 1.23 -0.53 0.00 0.00 176.83 178.32 1x3d h GLY 111 N 0.00 1.91 0.63 5.77 0.00 -1.84 -1.95 103.07 107.60 1x3d h GLY 111 Ca 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 1x3d h GLY 111 CO 0.00 -0.42 -0.30 0.00 0.00 0.00 0.00 176.54 175.82 1x3d n SER 113 N -4.91 -3.32 -3.67 0.00 2.88 -0.73 -5.05 113.62 98.82 1x3d n SER 113 Ca -0.11 -0.22 -0.14 0.00 -1.33 0.00 0.00 58.87 57.08 1x3d n SER 113 Cb 0.34 -2.26 -0.07 0.00 -0.75 0.00 0.00 64.21 61.46 1x3d n SER 113 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x3d s GLY 114 N -3.21 -0.30 0.51 0.46 0.00 -1.26 -5.03 107.32 98.48 1x3d s GLY 114 Ca 0.18 0.53 0.30 0.00 0.00 0.00 0.00 44.72 45.73 1x3d s GLY 114 CO 0.28 0.27 1.95 -0.56 0.00 0.00 0.00 173.10 175.04 1x3d h PRO 115 N 3.30 0.00 -3.13 2.90 0.13 -2.03 -3.45 132.00 129.72 1x3d h PRO 115 Ca -0.30 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.79 1x3d h PRO 115 Cb 1.18 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.18 1x3d h PRO 115 CO 0.41 0.10 0.03 0.45 -0.23 0.00 0.00 178.00 178.76 1x3d s SER 116 N -5.91 -0.38 -0.19 1.44 0.15 -1.26 -5.15 113.70 102.40 1x3d s SER 116 Ca 0.00 -0.10 0.01 0.00 0.70 0.00 0.00 55.95 56.55 1x3d s SER 116 Cb 0.10 0.51 0.04 0.00 -1.71 0.00 0.00 66.02 64.96 1x3d s SER 116 CO 0.58 -0.85 -0.10 -0.55 1.20 0.00 0.00 173.24 173.51 1x3d s SER 117 N -2.57 3.23 0.00 5.45 0.15 -1.26 -5.09 113.70 113.61 1x3d s SER 117 Ca 0.00 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 55.85 1x3d s SER 117 Cb 0.00 -1.19 0.00 0.00 -1.71 0.00 0.00 66.02 63.12 1x3d s SER 117 CO -0.10 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.82