#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 7.40 -0.72 1.61 0.15 -1.26 -4.99 113.70 115.90 1x3d s SER 2 Ca 0.00 2.03 -0.23 0.00 0.70 0.00 0.00 55.95 58.45 1x3d s SER 2 Cb 0.00 -2.61 0.06 0.00 -1.71 0.00 0.00 66.02 61.77 1x3d s SER 2 CO 0.00 -0.03 1.08 -0.44 1.20 0.00 0.00 173.24 175.05 1x3d s SER 3 N -1.21 6.22 0.10 5.45 0.01 -1.26 -4.99 113.70 118.03 1x3d s SER 3 Ca 0.45 -0.97 0.00 0.00 1.31 0.00 0.00 55.95 56.75 1x3d s SER 3 Cb -0.26 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.51 1x3d s SER 3 CO 0.33 -1.51 0.01 0.61 0.41 0.00 0.00 173.24 173.08 1x3d n GLY 4 N 5.43 4.00 3.61 3.44 0.00 -1.26 -5.17 105.19 115.24 1x3d n GLY 4 Ca 0.02 -2.24 -0.03 0.00 0.00 0.00 0.00 46.02 43.77 1x3d n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x3d s SER 5 N -1.57 -0.15 -0.05 1.61 1.04 -1.26 -5.18 113.70 108.13 1x3d s SER 5 Ca 0.00 -0.09 -0.12 0.00 0.48 0.00 0.00 55.95 56.23 1x3d s SER 5 Cb -0.00 0.23 0.02 0.00 0.10 0.00 0.00 66.02 66.37 1x3d s SER 5 CO 0.00 -0.40 0.28 -0.55 0.98 0.00 0.00 173.24 173.55 1x3d s SER 6 N -2.56 -0.20 -0.30 7.02 0.15 -1.26 -5.16 113.70 111.40 1x3d s SER 6 Ca 0.10 0.22 -0.17 0.00 0.70 0.00 0.00 55.95 56.81 1x3d s SER 6 Cb 0.01 0.40 0.18 0.00 -1.71 0.00 0.00 66.02 64.90 1x3d s SER 6 CO -0.04 -0.31 1.15 -0.83 1.20 0.00 0.00 173.24 174.41 1x3d s GLY 7 N -0.80 0.20 -0.98 9.45 0.00 -1.26 -5.09 107.32 108.85 1x3d s GLY 7 Ca -0.09 3.46 -0.24 0.00 0.00 0.00 0.00 44.72 47.86 1x3d s GLY 7 CO 0.02 3.05 1.53 0.00 0.00 0.00 0.00 173.10 177.71 1x3d s ALA 8 N 1.77 2.52 0.15 3.20 0.00 -1.26 -4.92 121.76 123.22 1x3d s ALA 8 Ca -0.04 -2.06 -0.07 0.00 0.00 0.00 0.00 51.96 49.79 1x3d s ALA 8 Cb -0.03 -4.52 -0.01 0.00 0.00 0.00 0.00 23.12 18.56 1x3d s ALA 8 CO -0.15 -3.82 0.23 -1.21 0.00 0.00 0.00 175.76 170.81 1x3d s GLU 9 N 5.41 1.08 -0.91 0.00 2.02 -1.26 -4.89 118.70 120.14 1x3d s GLU 9 Ca 0.50 -1.21 -0.09 0.00 0.02 0.00 0.00 54.97 54.19 1x3d s GLU 9 Cb -0.02 0.34 0.09 0.00 0.10 0.00 0.00 34.13 34.65 1x3d s GLU 9 CO -0.07 -0.37 0.23 0.44 0.02 0.00 0.00 175.26 175.51 1x3d n ILE 10 N -0.17 -0.13 -1.45 -1.63 -5.35 -1.26 -4.58 119.36 104.79 1x3d n ILE 10 Ca -0.08 -0.06 -0.57 0.00 -0.27 0.00 0.00 62.75 61.77 1x3d n ILE 10 Cb 0.63 -0.32 -0.08 0.00 -1.74 0.00 0.00 39.64 38.13 1x3d n ILE 10 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1x3d n PHE 11 N -2.43 1.22 -4.20 4.28 3.01 -1.26 -4.91 117.46 113.17 1x3d n PHE 11 Ca 0.00 0.97 -0.35 0.00 1.01 0.00 0.00 57.45 59.09 1x3d n PHE 11 Cb 0.26 -1.90 -0.09 0.00 -0.01 0.00 0.00 39.48 37.74 1x3d n PHE 11 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1x3d s THR 12 N 1.78 4.62 0.74 4.37 2.01 -1.26 -5.10 115.64 122.80 1x3d s THR 12 Ca 0.87 -0.12 -0.13 0.00 0.31 0.00 0.00 61.69 62.62 1x3d s THR 12 Cb -1.24 -2.99 0.05 0.00 0.01 0.00 0.00 72.50 68.32 1x3d s THR 12 CO 0.64 0.57 1.14 0.42 -0.69 0.00 0.00 174.62 176.71 1x3d s THR 13 N -0.55 2.77 -0.17 -0.82 -4.23 -1.26 -5.03 115.64 106.34 1x3d s THR 13 Ca 0.10 0.33 0.01 0.00 -1.18 0.00 0.00 61.69 60.95 1x3d s THR 13 Cb -0.12 -2.78 0.01 0.00 1.34 0.00 0.00 72.50 70.96 1x3d s THR 13 CO 0.02 -0.25 -0.19 -0.76 -0.54 0.00 0.00 174.62 172.90 1x3d s LEU 14 N -5.42 2.21 -0.47 4.79 1.43 -1.26 -5.03 118.68 114.93 1x3d s LEU 14 Ca 0.68 -0.61 0.09 0.00 -1.03 0.00 0.00 54.13 53.26 1x3d s LEU 14 Cb -0.23 -1.50 0.33 0.00 0.03 0.00 0.00 46.19 44.82 1x3d s LEU 14 CO 0.48 0.02 0.78 -1.54 0.23 0.00 0.00 176.35 176.32 1x3d n SER 15 N 4.47 2.24 0.00 2.29 3.41 -1.26 -4.82 113.62 119.95 1x3d n SER 15 Ca -0.20 -3.24 0.00 0.00 -0.26 0.00 0.00 58.87 55.17 1x3d n SER 15 Cb 0.51 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 1x3d n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x3d s GLU 17 N -1.77 0.35 0.78 0.00 -1.05 -1.26 -3.62 118.70 112.13 1x3d s GLU 17 Ca 0.00 0.03 -0.13 0.00 -0.15 0.00 0.00 54.97 54.72 1x3d s GLU 17 Cb 0.00 0.17 0.19 0.00 -0.44 0.00 0.00 34.13 34.05 1x3d s GLU 17 CO 0.00 -0.12 0.69 -0.35 0.95 0.00 0.00 175.26 176.43 1x3d n PRO 18 N 0.45 -2.36 -2.12 -4.83 -0.04 -1.26 -4.92 135.00 119.92 1x3d n PRO 18 Ca -0.04 -1.11 -0.32 0.00 -0.04 0.00 0.00 63.50 61.99 1x3d n PRO 18 Cb 0.58 -1.03 -0.01 0.00 -0.04 0.00 0.00 33.50 33.00 1x3d n PRO 18 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1x3d s ASP 19 N -3.37 6.21 -0.12 3.54 -1.08 -1.26 -4.55 116.67 116.04 1x3d s ASP 19 Ca 0.45 1.60 -0.29 0.00 -0.52 0.00 0.00 52.55 53.79 1x3d s ASP 19 Cb -0.04 -2.51 -0.03 0.00 -1.46 0.00 0.00 42.92 38.88 1x3d s ASP 19 CO 0.34 -0.88 1.46 -0.63 0.52 0.00 0.00 175.17 175.99 1x3d s ILE 20 N -2.74 3.93 0.58 4.11 1.01 -1.26 -4.72 121.20 122.11 1x3d s ILE 20 Ca 0.59 1.12 -0.18 0.00 0.00 0.00 0.00 60.65 62.18 1x3d s ILE 20 Cb -0.12 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 1x3d s ILE 20 CO 0.40 -0.11 1.12 -2.16 0.00 0.00 0.00 174.94 174.19 1x3d s PRO 21 N 3.80 3.17 0.69 2.79 0.04 -1.26 -4.94 135.00 139.29 1x3d s PRO 21 Ca 0.64 1.54 -0.16 0.00 0.04 0.00 0.00 61.00 63.06 1x3d s PRO 21 Cb -0.27 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.30 1x3d s PRO 21 CO 0.22 -0.99 1.21 -0.80 0.04 0.00 0.00 177.00 176.69 1x3d s ASN 22 N -2.04 4.48 0.42 6.66 -0.87 -1.26 -4.25 114.94 118.07 1x3d s ASN 22 Ca 0.71 2.38 -0.24 0.00 -1.57 0.00 0.00 52.86 54.13 1x3d s ASN 22 Cb -0.23 -2.59 -0.08 0.00 -0.02 0.00 0.00 41.25 38.33 1x3d s ASN 22 CO 0.32 -2.07 1.18 -2.16 -2.57 0.00 0.00 177.10 171.79 1x3d s PRO 23 N -3.75 3.93 0.41 -0.60 0.04 -1.26 -4.73 135.00 129.03 1x3d s PRO 23 Ca 0.76 1.84 -0.25 0.00 0.04 0.00 0.00 61.00 63.39 1x3d s PRO 23 Cb -0.30 -2.58 -0.08 0.00 0.04 0.00 0.00 34.50 31.58 1x3d s PRO 23 CO 0.42 -0.43 1.19 -1.25 0.04 0.00 0.00 177.00 176.97 1x3d s PRO 24 N -2.45 4.02 0.47 0.56 0.04 -1.26 -4.90 135.00 131.48 1x3d s PRO 24 Ca 0.60 1.88 0.07 0.00 0.04 0.00 0.00 61.00 63.58 1x3d s PRO 24 Cb -0.31 -2.67 0.00 0.00 0.04 0.00 0.00 34.50 31.57 1x3d s PRO 24 CO 0.38 -0.36 0.39 -0.98 0.04 0.00 0.00 177.00 176.47 1x3d s ARG 25 N -2.32 2.39 -0.24 4.56 1.70 -0.50 -4.89 118.95 119.66 1x3d s ARG 25 Ca 0.57 -1.75 -0.09 0.00 -0.47 0.00 0.00 55.73 54.00 1x3d s ARG 25 Cb -0.32 -2.25 -0.04 0.00 -0.57 0.00 0.00 34.95 31.77 1x3d s ARG 25 CO 0.40 -0.37 0.13 0.42 -1.08 0.00 0.00 175.30 174.80 1x3d s ILE 26 N -2.60 5.04 -0.17 4.99 -1.09 -1.26 -1.58 121.20 124.52 1x3d s ILE 26 Ca 0.43 0.07 0.08 0.00 -2.23 0.00 0.00 60.65 59.00 1x3d s ILE 26 Cb -0.02 -3.34 -0.11 0.00 -1.58 0.00 0.00 42.46 37.41 1x3d s ILE 26 CO 0.26 0.35 0.24 0.00 -1.23 0.00 0.00 174.94 174.56 1x3d n ALA 27 N 4.39 2.62 -3.20 9.38 0.00 -1.14 -4.98 120.51 127.58 1x3d n ALA 27 Ca -0.15 -0.20 0.04 0.00 0.00 0.00 0.00 53.44 53.13 1x3d n ALA 27 Cb 0.52 -0.28 -0.03 0.00 0.00 0.00 0.00 19.45 19.67 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 -2.37 -0.31 -0.04 0.00 2.47 -1.25 -5.03 114.94 108.41 1x3d s ASN 28 Ca -0.00 0.28 0.03 0.00 0.42 0.00 0.00 52.86 53.59 1x3d s ASN 28 Cb 0.05 1.29 0.00 0.00 -1.45 0.00 0.00 41.25 41.15 1x3d s ASN 28 CO 0.32 -0.06 -0.12 0.00 -3.72 0.00 0.00 177.10 173.52 1x3d s ARG 29 N 2.66 1.32 0.44 0.43 1.70 -1.26 0.76 118.95 125.00 1x3d s ARG 29 Ca -0.03 -0.42 0.00 0.00 -0.47 0.00 0.00 55.73 54.81 1x3d s ARG 29 Cb -0.07 -1.18 0.00 0.00 -0.57 0.00 0.00 34.95 33.13 1x3d s ARG 29 CO -0.12 0.15 0.02 0.25 -1.08 0.00 0.00 175.30 174.52 1x3d n THR 30 N 3.29 0.00 0.25 4.99 -2.24 0.08 -4.27 114.28 116.38 1x3d n THR 30 Ca -0.19 -2.04 0.12 0.00 -2.27 0.00 0.00 64.05 59.68 1x3d n THR 30 Cb 0.53 0.38 0.61 0.00 -2.10 0.00 0.00 70.33 69.76 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 -0.35 -0.78 1.57 -1.92 -3.09 116.57 112.00 1x3d h LYS 31 Ca -0.36 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.16 1x3d h LYS 31 Cb 1.09 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 33.03 1x3d h LYS 31 CO 0.59 0.16 -1.00 0.09 -0.57 0.00 0.00 179.45 178.72 1x3d n ASN 32 N -3.46 2.02 -3.51 0.86 3.02 -1.26 -0.93 115.26 112.00 1x3d n ASN 32 Ca -0.01 -2.46 -0.08 0.00 -0.03 0.00 0.00 54.58 52.00 1x3d n ASN 32 Cb 0.33 -0.42 -0.02 0.00 -0.61 0.00 0.00 39.78 39.06 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 -3.30 -0.36 -0.23 6.41 0.01 -1.20 -2.45 113.70 112.58 1x3d s SER 33 Ca 0.34 0.01 -0.06 0.00 1.31 0.00 0.00 55.95 57.54 1x3d s SER 33 Cb 0.36 0.37 0.12 0.00 0.21 0.00 0.00 66.02 67.08 1x3d s SER 33 CO -0.06 -0.60 0.47 -0.76 0.41 0.00 0.00 173.24 172.69 1x3d s LEU 34 N -2.45 -0.80 -0.21 2.44 1.43 0.91 -0.74 118.68 119.26 1x3d s LEU 34 Ca 0.05 0.92 -0.09 0.00 -1.03 0.00 0.00 54.13 53.98 1x3d s LEU 34 Cb -0.01 1.55 -0.05 0.00 0.03 0.00 0.00 46.19 47.71 1x3d s LEU 34 CO -0.09 -0.25 0.11 -0.89 0.23 0.00 0.00 176.35 175.47 1x3d s THR 35 N 2.67 5.11 -0.06 5.49 2.01 0.23 -0.13 115.64 130.96 1x3d s THR 35 Ca 0.03 0.09 0.04 0.00 0.31 0.00 0.00 61.69 62.15 1x3d s THR 35 Cb -0.13 -3.34 0.00 0.00 0.01 0.00 0.00 72.50 69.04 1x3d s THR 35 CO -0.15 0.41 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.26 1x3d s LEU 36 N 0.64 1.86 -0.07 4.42 1.43 -1.08 -2.87 118.68 123.02 1x3d s LEU 36 Ca 0.06 -0.38 0.04 0.00 -1.03 0.00 0.00 54.13 52.82 1x3d s LEU 36 Cb -0.12 -1.03 -0.00 0.00 0.03 0.00 0.00 46.19 45.07 1x3d s LEU 36 CO 0.01 0.11 -0.20 -1.10 0.23 0.00 0.00 176.35 175.40 1x3d s GLN 37 N 0.33 2.33 0.33 1.70 -0.21 -0.61 -2.88 119.66 120.65 1x3d s GLN 37 Ca -0.11 -0.72 0.03 0.00 0.02 0.00 0.00 55.36 54.58 1x3d s GLN 37 Cb -0.15 -1.89 -0.04 0.00 1.00 0.00 0.00 33.01 31.94 1x3d s GLN 37 CO 0.04 0.21 0.14 1.67 -2.12 0.00 0.00 175.29 175.23 1x3d s TRP 38 N 0.22 1.69 0.51 0.91 -2.14 -1.10 -1.41 118.94 117.62 1x3d s TRP 38 Ca -0.11 -1.29 0.03 0.00 2.66 0.00 0.00 56.10 57.39 1x3d s TRP 38 Cb -0.15 -0.98 -0.00 0.00 -3.10 0.00 0.00 33.47 29.24 1x3d s TRP 38 CO 0.05 -0.39 0.12 0.15 -2.66 0.00 0.00 176.95 174.22 1x3d s LYS 39 N -3.81 2.21 -0.16 3.25 3.01 -1.26 -4.84 119.74 118.13 1x3d s LYS 39 Ca 0.33 -2.27 -0.06 0.00 -1.01 0.00 0.00 55.97 52.96 1x3d s LYS 39 Cb 0.05 -1.71 -0.04 0.00 -1.01 0.00 0.00 37.83 35.12 1x3d s LYS 39 CO 0.16 -0.42 0.06 0.00 0.51 0.00 0.00 175.35 175.67 1x3d s ALA 40 N -2.83 3.45 1.00 5.17 0.00 -1.26 -4.76 121.76 122.52 1x3d s ALA 40 Ca 0.16 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1x3d s ALA 40 Cb 0.01 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 21.28 1x3d s ALA 40 CO 0.09 0.31 0.00 -0.35 0.00 0.00 0.00 175.76 175.81 1x3d n PRO 41 N 3.09 0.15 -3.13 0.00 -0.04 -1.26 -4.98 135.00 128.84 1x3d n PRO 41 Ca -0.17 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.89 1x3d n PRO 41 Cb 0.53 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 6.66 -0.84 3.54 0.15 -1.26 -5.00 113.70 115.43 1x3d s SER 42 Ca 0.00 0.80 -0.25 0.00 0.70 0.00 0.00 55.95 57.19 1x3d s SER 42 Cb 0.00 -2.34 0.02 0.00 -1.71 0.00 0.00 66.02 61.99 1x3d s SER 42 CO 0.00 -0.29 1.48 1.51 1.20 0.00 0.00 173.24 177.14 1x3d s ASP 43 N 1.25 6.08 -0.29 5.45 -4.77 -1.26 -4.48 116.67 118.64 1x3d s ASP 43 Ca 0.28 -0.74 0.00 0.00 -3.30 0.00 0.00 52.55 48.79 1x3d s ASP 43 Cb -0.16 -2.56 0.06 0.00 -1.09 0.00 0.00 42.92 39.17 1x3d s ASP 43 CO 0.10 -1.88 -0.02 0.54 0.70 0.00 0.00 175.17 174.61 1x3d s ASN 44 N 5.13 4.75 0.00 2.11 2.20 -1.26 -4.72 114.94 123.15 1x3d s ASN 44 Ca 0.46 -1.42 0.00 0.00 -0.94 0.00 0.00 52.86 50.96 1x3d s ASN 44 Cb -0.06 -1.66 0.00 0.00 -2.00 0.00 0.00 41.25 37.54 1x3d s ASN 44 CO 0.05 -0.26 0.00 0.61 -2.94 0.00 0.00 177.10 174.56 1x3d n GLY 45 N 4.53 3.20 3.64 0.45 0.00 -1.26 -4.69 105.19 111.06 1x3d n GLY 45 Ca -0.12 -0.91 -0.07 0.00 0.00 0.00 0.00 46.02 44.92 1x3d n GLY 45 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x3d s SER 46 N 0.00 -0.47 0.05 1.61 0.15 -1.26 -5.08 113.70 108.70 1x3d s SER 46 Ca 0.00 0.86 -0.33 0.00 0.70 0.00 0.00 55.95 57.18 1x3d s SER 46 Cb 0.00 0.95 -0.17 0.00 -1.71 0.00 0.00 66.02 65.09 1x3d s SER 46 CO 0.00 -0.14 0.82 1.17 1.20 0.00 0.00 173.24 176.28 1x3d n LYS 47 N 2.60 0.00 -2.04 5.44 4.81 -1.26 -4.61 118.16 123.10 1x3d n LYS 47 Ca -0.14 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 56.90 1x3d n LYS 47 Cb 0.56 -1.21 -0.03 0.00 0.02 0.00 0.00 35.03 34.37 1x3d n LYS 47 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1x3d s ILE 48 N -0.25 3.43 0.01 3.15 1.01 -1.26 -4.23 121.20 123.06 1x3d s ILE 48 Ca 0.74 0.34 -0.02 0.00 0.00 0.00 0.00 60.65 61.72 1x3d s ILE 48 Cb -1.05 -3.84 -0.00 0.00 0.01 0.00 0.00 42.46 37.58 1x3d s ILE 48 CO 0.51 -0.71 1.01 0.00 0.00 0.00 0.00 174.94 175.74 1x3d n GLN 49 N 8.85 -0.03 -3.94 2.79 6.02 -0.70 -4.85 117.38 125.52 1x3d n GLN 49 Ca 0.21 1.00 -0.11 0.00 -0.01 0.00 0.00 57.00 58.10 1x3d n GLN 49 Cb 0.50 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.24 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 -3.18 0.27 0.24 1.08 6.03 -1.20 -4.74 114.94 113.44 1x3d s ASN 50 Ca -0.01 -1.17 0.01 0.00 -1.03 0.00 0.00 52.86 50.66 1x3d s ASN 50 Cb 0.01 0.73 -0.04 0.00 -3.03 0.00 0.00 41.25 38.92 1x3d s ASN 50 CO 0.04 -1.43 0.42 -0.36 -2.03 0.00 0.00 177.10 173.74 1x3d s PHE 51 N -3.01 3.48 -0.25 1.54 0.08 -0.61 -2.79 117.98 116.42 1x3d s PHE 51 Ca 0.21 0.24 -0.01 0.00 0.12 0.00 0.00 56.93 57.50 1x3d s PHE 51 Cb -0.03 -1.78 0.07 0.00 -0.57 0.00 0.00 43.02 40.71 1x3d s PHE 51 CO 0.14 0.34 0.03 0.08 -0.10 0.00 0.00 175.22 175.71 1x3d s VAL 52 N -2.00 0.99 0.08 -0.44 1.01 -0.34 -2.16 120.40 117.54 1x3d s VAL 52 Ca 0.38 -1.09 0.01 0.00 0.00 0.00 0.00 61.98 61.27 1x3d s VAL 52 Cb -0.10 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 1x3d s VAL 52 CO 0.31 -0.35 0.21 -0.22 0.00 0.00 0.00 175.10 175.05 1x3d s LEU 53 N 1.61 4.30 -0.02 3.92 2.96 0.69 -2.66 118.68 129.48 1x3d s LEU 53 Ca 0.02 0.22 -0.08 0.00 -0.22 0.00 0.00 54.13 54.06 1x3d s LEU 53 Cb -0.18 -2.90 0.01 0.00 0.50 0.00 0.00 46.19 43.62 1x3d s LEU 53 CO -0.13 0.15 0.18 -1.61 -1.32 0.00 0.00 176.35 173.62 1x3d s GLU 54 N -2.62 0.44 -0.02 1.98 2.02 -1.06 -0.64 118.70 118.79 1x3d s GLU 54 Ca 0.34 -0.16 -0.17 0.00 0.02 0.00 0.00 54.97 55.01 1x3d s GLU 54 Cb -0.13 0.19 0.03 0.00 0.10 0.00 0.00 34.13 34.32 1x3d s GLU 54 CO 0.27 -0.10 0.36 1.67 0.02 0.00 0.00 175.26 177.48 1x3d s TRP 55 N -0.91 -0.24 -0.16 1.61 1.48 -0.73 -1.97 118.94 118.02 1x3d s TRP 55 Ca -0.10 0.39 0.00 0.00 -1.06 0.00 0.00 56.10 55.33 1x3d s TRP 55 Cb -0.05 0.14 0.16 0.00 -1.16 0.00 0.00 33.47 32.56 1x3d s TRP 55 CO 0.02 -0.41 1.62 -0.40 -4.06 0.00 0.00 176.95 173.71 1x3d n ASP 56 N 1.26 4.56 -3.11 -2.66 5.68 -1.24 -2.52 116.55 118.51 1x3d n ASP 56 Ca -0.21 -2.63 -0.16 0.00 -0.50 0.00 0.00 54.79 51.29 1x3d n ASP 56 Cb 0.56 -0.83 -0.03 0.00 -1.14 0.00 0.00 41.12 39.68 1x3d n ASP 56 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1x3d n GLU 57 N 0.39 -1.98 -4.15 0.11 1.02 -1.26 -0.13 120.64 114.63 1x3d n GLU 57 Ca 0.18 0.05 -0.29 0.00 -0.02 0.00 0.00 57.16 57.08 1x3d n GLU 57 Cb 0.70 -4.18 -0.06 0.00 -0.02 0.00 0.00 31.44 27.88 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 -0.68 -0.18 0.13 0.62 0.00 -1.26 -4.87 105.19 98.96 1x3d n GLY 58 Ca 0.04 0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 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 -4.51 0.62 -0.54 1.61 5.02 0.81 -4.79 118.16 116.38 1x3d n LYS 59 Ca -0.32 0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 1x3d n LYS 59 Cb 0.69 -1.53 0.00 0.00 -0.02 0.00 0.00 35.03 34.18 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 1.66 0.93 0.20 0.72 0.00 -1.26 -5.03 105.19 102.40 1x3d n GLY 60 Ca -0.49 -0.14 -0.04 0.00 0.00 0.00 0.00 46.02 45.34 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 0.26 2.93 0.00 1.61 0.23 -1.26 -5.06 115.26 113.98 1x3d n ASN 61 Ca 0.00 -0.01 0.00 0.00 -0.53 0.00 0.00 54.58 54.04 1x3d n ASN 61 Cb 0.11 -0.09 0.00 0.00 -2.08 0.00 0.00 39.78 37.72 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 3.14 1.76 2.95 4.83 0.00 -1.26 -5.12 105.19 111.48 1x3d n GLY 62 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.16 1.60 -0.10 1.61 2.02 -1.26 -5.11 118.70 117.30 1x3d s GLU 63 Ca 0.00 -1.14 -0.20 0.00 0.02 0.00 0.00 54.97 53.65 1x3d s GLU 63 Cb 0.00 -2.65 -0.04 0.00 0.10 0.00 0.00 34.13 31.54 1x3d s GLU 63 CO 0.00 -0.67 0.54 -0.06 0.02 0.00 0.00 175.26 175.10 1x3d s PHE 64 N 1.32 3.54 0.09 1.61 0.40 -1.26 -4.08 117.98 119.60 1x3d s PHE 64 Ca -0.03 1.00 0.08 0.00 -0.60 0.00 0.00 56.93 57.38 1x3d s PHE 64 Cb -0.19 -2.62 -0.03 0.00 0.51 0.00 0.00 43.02 40.69 1x3d s PHE 64 CO -0.08 0.15 -0.20 0.00 0.70 0.00 0.00 175.22 175.79 1x3d n GLN 66 N 1.24 1.51 -0.10 0.00 7.27 -1.26 -1.77 117.38 124.27 1x3d n GLN 66 Ca -0.19 0.45 -0.20 0.00 0.07 0.00 0.00 57.00 57.13 1x3d n GLN 66 Cb 0.54 -2.72 -0.09 0.00 2.41 0.00 0.00 30.24 30.38 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 -2.38 -0.17 -0.19 0.00 5.04 -1.21 -5.02 117.35 113.42 1x3d s TYR 68 Ca -0.28 0.44 -0.04 0.00 -2.44 0.00 0.00 57.07 54.75 1x3d s TYR 68 Cb 0.07 0.02 0.06 0.00 0.35 0.00 0.00 41.96 42.46 1x3d s TYR 68 CO 0.51 -0.11 0.06 1.41 -1.34 0.00 0.00 175.55 176.08 1x3d s MET 69 N 0.42 0.38 -0.06 4.97 -2.45 -1.26 -0.22 119.30 121.08 1x3d s MET 69 Ca -0.03 -0.30 -0.30 0.00 -1.25 0.00 0.00 55.69 53.81 1x3d s MET 69 Cb -0.04 -1.95 0.11 0.00 1.25 0.00 0.00 34.83 34.20 1x3d s MET 69 CO -0.02 -0.68 1.34 0.20 1.05 0.00 0.00 175.02 176.92 1x3d s GLY 70 N 1.98 -0.25 0.01 2.11 0.00 -0.92 -4.90 107.32 105.35 1x3d s GLY 70 Ca 0.01 0.31 -0.25 0.00 0.00 0.00 0.00 44.72 44.79 1x3d s GLY 70 CO -0.10 4.53 1.38 0.23 0.00 0.00 0.00 173.10 179.14 1x3d h SER 71 N 2.00 -0.00 -0.84 1.64 0.87 -1.88 -1.62 113.55 113.71 1x3d h SER 71 Ca -0.24 -0.36 -0.57 0.00 -1.23 0.00 0.00 61.79 59.38 1x3d h SER 71 Cb 1.18 0.00 0.09 0.00 -0.44 0.00 0.00 62.40 63.23 1x3d h SER 71 CO 0.30 0.36 -0.41 0.00 -0.53 0.00 0.00 176.83 176.55 1x3d n GLN 72 N -4.92 0.00 -0.95 2.24 6.02 -1.26 -4.76 117.38 113.76 1x3d n GLN 72 Ca -0.08 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.81 1x3d n GLN 72 Cb 0.20 -0.88 0.21 0.00 1.02 0.00 0.00 30.24 30.79 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 0.88 2.34 -3.69 -1.09 5.02 -1.26 -4.91 118.16 115.45 1x3d n LYS 73 Ca 0.15 -3.09 -0.12 0.00 -2.02 0.00 0.00 58.31 53.24 1x3d n LYS 73 Cb 0.20 -2.00 -0.12 0.00 -0.02 0.00 0.00 35.03 33.09 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 -3.19 0.26 -0.05 1.97 2.00 -1.26 -2.73 119.66 116.65 1x3d s GLN 74 Ca 0.50 0.73 -0.02 0.00 -2.00 0.00 0.00 55.36 54.56 1x3d s GLN 74 Cb 0.43 -0.01 0.04 0.00 0.80 0.00 0.00 33.01 34.27 1x3d s GLN 74 CO 0.06 -0.21 0.10 0.12 -0.50 0.00 0.00 175.29 174.87 1x3d s PHE 75 N 1.78 -0.05 -0.38 1.67 5.36 -1.14 -5.04 117.98 120.18 1x3d s PHE 75 Ca -0.06 0.39 -0.11 0.00 -0.96 0.00 0.00 56.93 56.19 1x3d s PHE 75 Cb -0.10 -0.32 0.03 0.00 -0.34 0.00 0.00 43.02 42.29 1x3d s PHE 75 CO -0.10 -0.20 0.22 0.21 -1.46 0.00 0.00 175.22 173.89 1x3d s LYS 76 N 1.92 2.81 -0.35 10.12 2.20 -1.26 -2.62 119.74 132.56 1x3d s LYS 76 Ca 0.00 -1.12 -0.27 0.00 -0.36 0.00 0.00 55.97 54.23 1x3d s LYS 76 Cb -0.12 -3.76 0.02 0.00 -1.51 0.00 0.00 37.83 32.46 1x3d s LYS 76 CO -0.04 -0.73 0.99 0.42 -0.36 0.00 0.00 175.35 175.63 1x3d s ILE 77 N 1.55 4.54 0.44 5.43 1.01 0.82 -4.85 121.20 130.14 1x3d s ILE 77 Ca 0.02 1.43 0.06 0.00 0.00 0.00 0.00 60.65 62.16 1x3d s ILE 77 Cb -0.20 -4.37 0.06 0.00 0.01 0.00 0.00 42.46 37.96 1x3d s ILE 77 CO 0.07 -0.52 0.51 0.35 0.00 0.00 0.00 174.94 175.34 1x3d n THR 78 N 5.96 0.00 -3.32 2.92 -2.24 -1.26 -0.06 114.28 116.28 1x3d n THR 78 Ca 0.09 -1.58 -0.16 0.00 -2.27 0.00 0.00 64.05 60.13 1x3d n THR 78 Cb 0.48 -0.43 0.08 0.00 -2.10 0.00 0.00 70.33 68.35 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 -1.80 -6.17 -3.40 -0.78 5.02 -1.03 -4.88 118.16 105.13 1x3d n LYS 79 Ca 0.07 0.77 -0.18 0.00 -2.02 0.00 0.00 58.31 56.95 1x3d n LYS 79 Cb 0.48 -5.56 -0.03 0.00 -0.02 0.00 0.00 35.03 29.90 1x3d n LYS 79 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1x3d n LEU 80 N -3.93 0.00 -4.17 -0.35 4.77 -1.19 -5.00 117.00 107.13 1x3d n LEU 80 Ca -0.23 -1.82 -0.17 0.00 -0.03 0.00 0.00 56.01 53.76 1x3d n LEU 80 Cb 0.64 0.15 -0.12 0.00 -2.33 0.00 0.00 43.42 41.77 1x3d n LEU 80 CO 0.56 -0.31 -0.45 -0.44 -1.33 0.00 0.00 177.39 175.42 1x3d s SER 81 N -2.69 1.63 0.52 -1.43 0.01 -1.20 -4.19 113.70 106.35 1x3d s SER 81 Ca 0.04 -0.68 -0.20 0.00 1.31 0.00 0.00 55.95 56.42 1x3d s SER 81 Cb -0.00 -0.04 -0.06 0.00 0.21 0.00 0.00 66.02 66.13 1x3d s SER 81 CO 0.03 -0.13 1.14 -2.16 0.41 0.00 0.00 173.24 172.53 1x3d s PRO 82 N -2.06 3.46 -1.07 12.44 0.04 -0.11 -3.77 135.00 143.94 1x3d s PRO 82 Ca 0.00 1.65 -0.02 0.00 0.04 0.00 0.00 61.00 62.67 1x3d s PRO 82 Cb -0.08 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1x3d s PRO 82 CO 0.02 -0.77 0.90 0.00 0.04 0.00 0.00 177.00 177.19 1x3d n ALA 83 N -1.10 -1.58 -3.88 8.56 0.00 -1.26 -4.88 120.51 116.36 1x3d n ALA 83 Ca 0.11 0.05 -0.30 0.00 0.00 0.00 0.00 53.44 53.30 1x3d n ALA 83 Cb 0.50 -2.84 -0.15 0.00 0.00 0.00 0.00 19.45 16.96 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 -5.42 1.29 -0.21 0.00 0.00 -1.25 -4.99 119.30 108.73 1x3d s MET 84 Ca 0.13 -1.08 -0.29 0.00 0.00 0.00 0.00 55.69 54.44 1x3d s MET 84 Cb -0.06 -2.50 -0.02 0.00 0.00 0.00 0.00 34.83 32.26 1x3d s MET 84 CO 0.63 -0.74 1.46 0.20 0.00 0.00 0.00 175.02 176.56 1x3d s GLY 85 N 1.42 1.39 -0.03 2.11 0.00 -1.26 -3.83 107.32 107.12 1x3d s GLY 85 Ca 0.01 0.42 0.03 0.00 0.00 0.00 0.00 44.72 45.18 1x3d s GLY 85 CO -0.11 2.79 -0.13 0.00 0.00 0.00 0.00 173.10 175.65 1x3d s LYS 87 N -0.00 3.22 0.04 0.00 1.02 -1.26 -1.66 119.74 121.11 1x3d s LYS 87 Ca -0.01 -0.90 -0.11 0.00 0.02 0.00 0.00 55.97 54.97 1x3d s LYS 87 Cb -0.08 -2.78 0.01 0.00 -0.52 0.00 0.00 37.83 34.46 1x3d s LYS 87 CO 0.01 0.34 0.23 -0.06 -0.92 0.00 0.00 175.35 174.94 1x3d s PHE 88 N -2.07 0.01 -0.04 3.18 0.40 -0.54 -3.73 117.98 115.18 1x3d s PHE 88 Ca 0.36 -0.21 -0.03 0.00 -0.60 0.00 0.00 56.93 56.45 1x3d s PHE 88 Cb -0.09 0.01 0.01 0.00 0.51 0.00 0.00 43.02 43.47 1x3d s PHE 88 CO 0.28 -0.46 0.11 -0.98 0.70 0.00 0.00 175.22 174.87 1x3d s ARG 89 N -2.59 0.11 -0.04 0.44 1.70 -0.83 -2.31 118.95 115.43 1x3d s ARG 89 Ca -0.05 0.18 0.03 0.00 -0.47 0.00 0.00 55.73 55.42 1x3d s ARG 89 Cb -0.01 0.01 -0.03 0.00 -0.57 0.00 0.00 34.95 34.36 1x3d s ARG 89 CO -0.04 -0.04 -0.10 -1.17 -1.08 0.00 0.00 175.30 172.87 1x3d s LEU 90 N 0.25 2.98 -0.09 -1.89 2.96 -1.26 -2.55 118.68 119.07 1x3d s LEU 90 Ca -0.02 -0.14 -0.13 0.00 -0.22 0.00 0.00 54.13 53.62 1x3d s LEU 90 Cb -0.03 -1.66 0.03 0.00 0.50 0.00 0.00 46.19 45.04 1x3d s LEU 90 CO -0.01 0.33 0.34 -0.94 -1.32 0.00 0.00 176.35 174.75 1x3d s SER 91 N -0.96 -0.31 -0.16 3.68 1.04 -1.09 -0.31 113.70 115.60 1x3d s SER 91 Ca 0.13 0.50 -0.06 0.00 0.48 0.00 0.00 55.95 57.00 1x3d s SER 91 Cb -0.11 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 1x3d s SER 91 CO 0.03 -0.23 0.04 0.00 0.98 0.00 0.00 173.24 174.05 1x3d s ALA 92 N -0.32 3.34 -0.07 5.32 0.00 -1.26 -1.20 121.76 127.57 1x3d s ALA 92 Ca -0.05 -0.76 0.05 0.00 0.00 0.00 0.00 51.96 51.20 1x3d s ALA 92 Cb -0.03 -1.79 -0.00 0.00 0.00 0.00 0.00 23.12 21.30 1x3d s ALA 92 CO 0.02 0.28 -0.22 0.50 0.00 0.00 0.00 175.76 176.33 1x3d s ARG 93 N 0.09 2.55 0.29 0.00 3.52 -1.12 -0.32 118.95 123.97 1x3d s ARG 93 Ca 0.04 -0.81 0.00 0.00 -0.13 0.00 0.00 55.73 54.83 1x3d s ARG 93 Cb -0.12 -2.06 -0.00 0.00 -1.56 0.00 0.00 34.95 31.21 1x3d s ARG 93 CO 0.01 0.25 0.01 0.27 -0.81 0.00 0.00 175.30 175.03 1x3d n ASN 94 N 3.27 2.64 0.29 -2.12 0.23 -0.99 -1.72 115.26 116.86 1x3d n ASN 94 Ca -0.19 -2.31 0.09 0.00 -0.53 0.00 0.00 54.58 51.65 1x3d n ASN 94 Cb 0.52 0.25 0.49 0.00 -2.08 0.00 0.00 39.78 38.97 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 0.75 0.00 0.00 0.53 3.58 -1.82 -1.77 116.42 117.69 1x3d h ASP 95 Ca -0.24 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.21 1x3d h ASP 95 Cb 0.75 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.80 1x3d h ASP 95 CO 0.40 0.00 -0.28 1.88 -2.88 0.00 0.00 179.24 178.36 1x3d h TYR 96 N 0.00 0.00 0.00 0.28 0.05 -1.93 -3.51 116.97 111.86 1x3d h TYR 96 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1x3d h TYR 96 Cb 1.02 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.76 1x3d h TYR 96 CO 0.00 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.52 1x3d n GLY 97 N 1.70 -0.45 3.66 3.88 0.00 -0.67 -4.94 105.19 108.36 1x3d n GLY 97 Ca -0.04 -1.03 -0.43 0.00 0.00 0.00 0.00 46.02 44.52 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 4.46 0.57 2.61 2.01 -1.26 -2.34 115.64 119.69 1x3d s THR 98 Ca 0.00 1.76 -0.16 0.00 0.31 0.00 0.00 61.69 63.60 1x3d s THR 98 Cb 0.00 -4.15 -0.05 0.00 0.01 0.00 0.00 72.50 68.32 1x3d s THR 98 CO 0.00 -0.17 1.05 -0.94 -0.69 0.00 0.00 174.62 173.87 1x3d s SER 99 N 1.64 5.94 0.33 3.53 1.04 0.57 -4.93 113.70 121.82 1x3d s SER 99 Ca 0.50 1.81 -0.13 0.00 0.48 0.00 0.00 55.95 58.61 1x3d s SER 99 Cb -0.18 -2.53 -0.10 0.00 0.10 0.00 0.00 66.02 63.30 1x3d s SER 99 CO 0.11 -1.06 -0.05 0.61 0.98 0.00 0.00 173.24 173.83 1x3d n GLY 100 N -0.93 -2.15 3.79 7.32 0.00 -1.26 -4.34 105.19 107.62 1x3d n GLY 100 Ca 0.09 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.33 3.83 1.24 1.61 0.08 -1.26 -4.53 117.98 117.61 1x3d s PHE 101 Ca 0.40 1.59 -0.19 0.00 0.12 0.00 0.00 56.93 58.85 1x3d s PHE 101 Cb -0.37 -2.75 0.29 0.00 -0.57 0.00 0.00 43.02 39.63 1x3d s PHE 101 CO 0.45 0.45 0.65 -1.13 -0.10 0.00 0.00 175.22 175.54 1x3d n SER 102 N 1.29 -3.67 -4.68 1.36 3.41 0.58 -4.86 113.62 107.05 1x3d n SER 102 Ca -0.04 -0.66 -0.42 0.00 -0.26 0.00 0.00 58.87 57.48 1x3d n SER 102 Cb 0.49 -0.88 -0.03 0.00 -0.26 0.00 0.00 64.21 63.54 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 -4.31 4.29 -0.20 4.33 2.02 -1.26 -4.75 118.70 118.81 1x3d s GLU 103 Ca 0.50 1.87 -0.39 0.00 0.02 0.00 0.00 54.97 56.98 1x3d s GLU 103 Cb -0.09 -3.61 -0.15 0.00 0.10 0.00 0.00 34.13 30.37 1x3d s GLU 103 CO 0.42 -0.57 1.70 0.39 0.02 0.00 0.00 175.26 177.22 1x3d n GLU 104 N 5.56 1.27 -4.39 1.61 -0.58 -1.26 -4.83 120.64 118.02 1x3d n GLU 104 Ca 0.13 0.46 -0.32 0.00 -0.42 0.00 0.00 57.16 57.01 1x3d n GLU 104 Cb 0.44 -2.16 -0.10 0.00 -0.57 0.00 0.00 31.44 29.06 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 3.11 3.75 -0.06 2.62 -7.23 -0.98 -4.98 120.40 116.65 1x3d s VAL 105 Ca 0.96 -0.78 0.04 0.00 -1.81 0.00 0.00 61.98 60.39 1x3d s VAL 105 Cb -1.01 -2.66 -0.02 0.00 0.56 0.00 0.00 36.38 33.25 1x3d s VAL 105 CO 0.61 0.36 -0.17 -0.22 -0.31 0.00 0.00 175.10 175.37 1x3d s LEU 106 N -1.54 2.55 0.03 1.32 2.96 -1.26 -1.47 118.68 121.27 1x3d s LEU 106 Ca 0.18 -0.29 -0.02 0.00 -0.22 0.00 0.00 54.13 53.78 1x3d s LEU 106 Cb -0.11 -1.51 -0.02 0.00 0.50 0.00 0.00 46.19 45.05 1x3d s LEU 106 CO 0.09 0.31 0.02 -0.31 -1.32 0.00 0.00 176.35 175.13 1x3d s TYR 107 N -0.50 0.29 -0.10 5.38 2.02 -0.66 -5.00 117.35 118.78 1x3d s TYR 107 Ca 0.06 -0.63 0.00 0.00 -0.37 0.00 0.00 57.07 56.14 1x3d s TYR 107 Cb -0.12 -0.22 0.02 0.00 -0.40 0.00 0.00 41.96 41.25 1x3d s TYR 107 CO 0.01 -0.30 -0.08 0.71 -1.57 0.00 0.00 175.55 174.32 1x3d s TYR 108 N -2.41 1.46 0.97 2.71 1.51 -1.26 -1.26 117.35 119.07 1x3d s TYR 108 Ca -0.07 -0.68 -0.15 0.00 -1.01 0.00 0.00 57.07 55.16 1x3d s TYR 108 Cb -0.03 -1.18 -0.08 0.00 -0.11 0.00 0.00 41.96 40.56 1x3d s TYR 108 CO -0.04 -0.46 -0.32 0.25 -1.11 0.00 0.00 175.55 173.88 1x3d n THR 109 N 4.68 0.02 -0.27 -0.71 -2.24 -1.25 -4.71 114.28 109.80 1x3d n THR 109 Ca -0.15 -0.38 0.14 0.00 -2.27 0.00 0.00 64.05 61.39 1x3d n THR 109 Cb 0.50 -0.25 0.27 0.00 -2.10 0.00 0.00 70.33 68.76 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 1.58 -0.02 -1.41 3.42 2.88 -1.17 -4.32 113.62 114.58 1x3d n SER 110 Ca 0.02 1.32 0.19 0.00 -1.33 0.00 0.00 58.87 59.07 1x3d n SER 110 Cb 0.55 -0.51 -0.05 0.00 -0.75 0.00 0.00 64.21 63.44 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 -1.36 -2.13 3.17 0.46 0.00 -1.26 -4.86 105.19 99.21 1x3d n GLY 111 Ca 0.21 -1.15 -0.30 0.00 0.00 0.00 0.00 46.02 44.77 1x3d n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x3d n SER 113 N 3.65 2.39 0.00 0.00 3.41 -1.26 -4.95 113.62 116.86 1x3d n SER 113 Ca -0.20 1.10 0.00 0.00 -0.26 0.00 0.00 58.87 59.51 1x3d n SER 113 Cb 0.53 -1.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.17 1x3d n SER 113 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x3d n GLY 114 N 3.02 0.05 0.17 5.00 0.00 -1.26 -4.78 105.19 107.40 1x3d n GLY 114 Ca 0.18 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.33 1x3d n GLY 114 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x3d h PRO 115 N 0.00 0.00 -2.73 1.61 0.13 -2.09 -3.46 132.00 125.46 1x3d h PRO 115 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.04 1x3d h PRO 115 Cb 0.00 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.17 1x3d h PRO 115 CO 0.00 0.00 -0.19 0.45 -0.23 0.00 0.00 178.00 178.03 1x3d n SER 116 N -2.49 -2.40 -3.62 1.44 2.88 -1.26 -5.06 113.62 103.12 1x3d n SER 116 Ca 0.02 -0.16 -0.02 0.00 -1.33 0.00 0.00 58.87 57.38 1x3d n SER 116 Cb 0.25 -1.71 -0.05 0.00 -0.75 0.00 0.00 64.21 61.95 1x3d n SER 116 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x3d s SER 117 N -3.26 -0.98 0.00 -3.46 0.15 -1.26 -5.23 113.70 99.65 1x3d s SER 117 Ca 0.05 1.42 0.00 0.00 0.70 0.00 0.00 55.95 58.12 1x3d s SER 117 Cb -0.02 1.91 0.00 0.00 -1.71 0.00 0.00 66.02 66.20 1x3d s SER 117 CO 0.19 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.04