#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 4.59 -0.16 1.61 0.01 -1.26 -5.07 113.70 113.43 1x3d s SER 2 Ca 0.00 -0.48 -0.16 0.00 1.31 0.00 0.00 55.95 56.62 1x3d s SER 2 Cb 0.00 -0.91 -0.05 0.00 0.21 0.00 0.00 66.02 65.27 1x3d s SER 2 CO 0.00 0.08 -0.32 -1.54 0.41 0.00 0.00 173.24 171.88 1x3d n SER 3 N -0.17 1.81 0.00 2.44 3.41 -1.26 -5.14 113.62 114.72 1x3d n SER 3 Ca -0.10 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 1x3d n SER 3 Cb 0.56 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 1x3d n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x3d n GLY 4 N 1.56 -0.55 3.54 5.00 0.00 -1.26 -5.04 105.19 108.44 1x3d n GLY 4 Ca -0.13 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.69 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 -4.00 -1.20 -0.20 1.61 1.04 -1.26 -5.14 113.70 104.55 1x3d s SER 5 Ca 0.00 1.42 0.01 0.00 0.48 0.00 0.00 55.95 57.86 1x3d s SER 5 Cb 0.00 2.28 0.04 0.00 0.10 0.00 0.00 66.02 68.44 1x3d s SER 5 CO 0.00 -0.23 -0.09 -0.44 0.98 0.00 0.00 173.24 173.46 1x3d s SER 6 N 2.89 3.38 -0.25 7.02 0.01 -1.26 -5.10 113.70 120.39 1x3d s SER 6 Ca -0.00 -0.89 0.02 0.00 1.31 0.00 0.00 55.95 56.39 1x3d s SER 6 Cb -0.13 -1.19 0.06 0.00 0.21 0.00 0.00 66.02 64.98 1x3d s SER 6 CO -0.19 -0.16 -0.06 -0.83 0.41 0.00 0.00 173.24 172.41 1x3d s GLY 7 N 1.42 1.44 0.52 3.44 0.00 -1.26 -5.12 107.32 107.76 1x3d s GLY 7 Ca -0.01 -1.58 -0.14 0.00 0.00 0.00 0.00 44.72 42.99 1x3d s GLY 7 CO -0.08 0.85 0.95 0.00 0.00 0.00 0.00 173.10 174.83 1x3d s ALA 8 N 1.28 3.13 -0.79 3.20 0.00 -1.26 -5.03 121.76 122.29 1x3d s ALA 8 Ca -0.05 0.05 -0.07 0.00 0.00 0.00 0.00 51.96 51.89 1x3d s ALA 8 Cb -0.19 -3.03 0.20 0.00 0.00 0.00 0.00 23.12 20.10 1x3d s ALA 8 CO -0.07 -0.29 0.67 -1.21 0.00 0.00 0.00 175.76 174.87 1x3d s GLU 9 N -4.26 3.20 -0.51 0.00 2.02 -1.26 -5.03 118.70 112.87 1x3d s GLU 9 Ca 0.57 -2.69 -0.20 0.00 0.02 0.00 0.00 54.97 52.66 1x3d s GLU 9 Cb -0.10 -4.09 0.05 0.00 0.10 0.00 0.00 34.13 30.09 1x3d s GLU 9 CO 0.36 -1.24 0.67 0.42 0.02 0.00 0.00 175.26 175.49 1x3d s ILE 10 N -0.31 4.81 -0.19 -1.63 1.01 -1.26 -5.03 121.20 118.60 1x3d s ILE 10 Ca 0.20 -0.34 -0.02 0.00 0.00 0.00 0.00 60.65 60.49 1x3d s ILE 10 Cb -0.14 -4.32 -0.01 0.00 0.01 0.00 0.00 42.46 38.00 1x3d s ILE 10 CO -0.07 -0.83 -0.09 0.12 0.00 0.00 0.00 174.94 174.07 1x3d s PHE 11 N 2.82 2.90 0.09 3.97 5.36 -1.26 -5.11 117.98 126.75 1x3d s PHE 11 Ca 0.18 -0.93 0.06 0.00 -0.96 0.00 0.00 56.93 55.28 1x3d s PHE 11 Cb -0.18 -2.01 -0.04 0.00 -0.34 0.00 0.00 43.02 40.45 1x3d s PHE 11 CO 0.13 -0.48 -0.08 0.95 -1.46 0.00 0.00 175.22 174.29 1x3d s THR 12 N 1.12 3.50 1.31 0.12 -4.23 -1.26 -5.12 115.64 111.08 1x3d s THR 12 Ca 0.01 -1.17 -0.18 0.00 -1.18 0.00 0.00 61.69 59.16 1x3d s THR 12 Cb -0.14 -2.63 0.33 0.00 1.34 0.00 0.00 72.50 71.39 1x3d s THR 12 CO -0.02 0.14 0.98 0.42 -0.54 0.00 0.00 174.62 175.60 1x3d s THR 13 N -1.21 1.56 -0.29 3.99 -4.23 -1.26 -5.01 115.64 109.19 1x3d s THR 13 Ca 0.22 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.75 1x3d s THR 13 Cb -0.11 -2.09 0.07 0.00 1.34 0.00 0.00 72.50 71.71 1x3d s THR 13 CO 0.14 0.00 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.41 1x3d s LEU 14 N -7.56 3.80 -0.29 4.79 2.01 -1.26 -5.06 118.68 115.11 1x3d s LEU 14 Ca 0.69 -1.50 -0.02 0.00 0.01 0.00 0.00 54.13 53.31 1x3d s LEU 14 Cb -0.18 -1.61 0.18 0.00 0.01 0.00 0.00 46.19 44.59 1x3d s LEU 14 CO 0.61 -0.24 0.57 -0.44 1.01 0.00 0.00 176.35 177.85 1x3d s SER 15 N 1.13 -1.13 0.31 2.29 0.01 -1.26 -5.07 113.70 109.97 1x3d s SER 15 Ca -0.05 0.82 -0.14 0.00 1.31 0.00 0.00 55.95 57.89 1x3d s SER 15 Cb -0.20 2.02 0.02 0.00 0.21 0.00 0.00 66.02 68.07 1x3d s SER 15 CO -0.05 -0.26 0.63 0.00 0.41 0.00 0.00 173.24 173.97 1x3d s GLU 17 N -3.41 2.18 0.27 0.00 8.01 -1.26 -4.94 118.70 119.54 1x3d s GLU 17 Ca 0.19 1.54 -0.29 0.00 0.01 0.00 0.00 54.97 56.42 1x3d s GLU 17 Cb -0.03 -1.86 -0.09 0.00 -4.31 0.00 0.00 34.13 27.83 1x3d s GLU 17 CO 0.11 -1.76 1.26 -1.25 0.01 0.00 0.00 175.26 173.62 1x3d s PRO 18 N -4.20 4.44 0.46 0.39 0.04 -1.26 -4.94 135.00 129.92 1x3d s PRO 18 Ca 0.69 2.05 -0.14 0.00 0.04 0.00 0.00 61.00 63.65 1x3d s PRO 18 Cb -0.24 -3.15 -0.11 0.00 0.04 0.00 0.00 34.50 31.04 1x3d s PRO 18 CO 0.47 -0.12 -0.20 -0.40 0.04 0.00 0.00 177.00 176.79 1x3d n ASP 19 N 1.61 -3.17 -4.66 6.66 5.68 -1.26 -4.60 116.55 116.81 1x3d n ASP 19 Ca 0.02 0.42 -0.43 0.00 -0.50 0.00 0.00 54.79 54.31 1x3d n ASP 19 Cb 0.43 -0.63 -0.02 0.00 -1.14 0.00 0.00 41.12 39.75 1x3d n ASP 19 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1x3d s ILE 20 N -1.52 4.27 0.32 2.12 1.01 -1.26 -4.77 121.20 121.36 1x3d s ILE 20 Ca 0.41 1.53 -0.29 0.00 0.00 0.00 0.00 60.65 62.30 1x3d s ILE 20 Cb -0.33 -3.99 -0.10 0.00 0.01 0.00 0.00 42.46 38.05 1x3d s ILE 20 CO 0.53 -0.13 1.22 -2.16 0.00 0.00 0.00 174.94 174.40 1x3d s PRO 21 N 3.46 4.45 0.73 2.79 0.04 -1.26 -4.97 135.00 140.24 1x3d s PRO 21 Ca 0.55 2.05 -0.16 0.00 0.04 0.00 0.00 61.00 63.48 1x3d s PRO 21 Cb -0.22 -3.10 -0.00 0.00 0.04 0.00 0.00 34.50 31.22 1x3d s PRO 21 CO 0.15 -0.04 0.82 0.09 0.04 0.00 0.00 177.00 178.06 1x3d n ASN 22 N 0.91 -0.12 -4.77 6.66 3.02 -1.26 -4.37 115.26 115.33 1x3d n ASN 22 Ca -0.00 0.63 -0.37 0.00 -0.03 0.00 0.00 54.58 54.81 1x3d n ASN 22 Cb 0.43 -1.34 -0.01 0.00 -0.61 0.00 0.00 39.78 38.25 1x3d n ASN 22 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1x3d s PRO 23 N -3.19 3.67 0.55 3.52 0.04 -1.26 -4.79 135.00 133.54 1x3d s PRO 23 Ca 0.70 1.74 -0.19 0.00 0.04 0.00 0.00 61.00 63.30 1x3d s PRO 23 Cb -0.34 -2.33 -0.05 0.00 0.04 0.00 0.00 34.50 31.82 1x3d s PRO 23 CO 0.53 -0.61 1.13 -1.25 0.04 0.00 0.00 177.00 176.84 1x3d s PRO 24 N -2.82 3.30 0.45 0.56 0.04 -1.26 -4.92 135.00 130.35 1x3d s PRO 24 Ca 0.65 1.59 0.06 0.00 0.04 0.00 0.00 61.00 63.34 1x3d s PRO 24 Cb -0.28 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.24 1x3d s PRO 24 CO 0.33 -0.89 0.23 -0.98 0.04 0.00 0.00 177.00 175.74 1x3d s ARG 25 N -3.37 2.26 -0.27 4.56 1.70 -0.08 -4.87 118.95 118.87 1x3d s ARG 25 Ca 0.72 -1.90 -0.13 0.00 -0.47 0.00 0.00 55.73 53.95 1x3d s ARG 25 Cb -0.23 -2.00 -0.04 0.00 -0.57 0.00 0.00 34.95 32.10 1x3d s ARG 25 CO 0.28 -0.25 0.27 0.42 -1.08 0.00 0.00 175.30 174.94 1x3d s ILE 26 N -2.65 5.25 -0.26 4.99 -1.09 -1.26 -1.22 121.20 124.96 1x3d s ILE 26 Ca 0.37 0.35 0.11 0.00 -2.23 0.00 0.00 60.65 59.26 1x3d s ILE 26 Cb 0.02 -3.61 -0.15 0.00 -1.58 0.00 0.00 42.46 37.14 1x3d s ILE 26 CO 0.21 0.21 0.35 0.00 -1.23 0.00 0.00 174.94 174.48 1x3d n ALA 27 N 5.16 2.91 -3.20 9.38 0.00 -1.01 -4.98 120.51 128.77 1x3d n ALA 27 Ca -0.11 -0.29 0.04 0.00 0.00 0.00 0.00 53.44 53.08 1x3d n ALA 27 Cb 0.51 -0.39 -0.03 0.00 0.00 0.00 0.00 19.45 19.54 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 -2.70 -0.32 0.01 0.00 2.47 -1.24 -5.03 114.94 108.13 1x3d s ASN 28 Ca -0.00 0.28 0.04 0.00 0.42 0.00 0.00 52.86 53.60 1x3d s ASN 28 Cb 0.08 1.30 -0.01 0.00 -1.45 0.00 0.00 41.25 41.16 1x3d s ASN 28 CO 0.46 -0.06 -0.13 0.00 -3.72 0.00 0.00 177.10 173.66 1x3d s ARG 29 N 2.66 0.96 0.44 0.43 1.70 -1.26 0.87 118.95 124.76 1x3d s ARG 29 Ca -0.03 -0.54 0.02 0.00 -0.47 0.00 0.00 55.73 54.71 1x3d s ARG 29 Cb -0.07 -0.94 -0.01 0.00 -0.57 0.00 0.00 34.95 33.37 1x3d s ARG 29 CO -0.13 0.25 0.06 0.25 -1.08 0.00 0.00 175.30 174.65 1x3d n THR 30 N 2.48 0.00 0.25 4.99 -2.24 -0.63 -4.53 114.28 114.61 1x3d n THR 30 Ca -0.15 -2.27 0.10 0.00 -2.27 0.00 0.00 64.05 59.45 1x3d n THR 30 Cb 0.55 0.61 0.67 0.00 -2.10 0.00 0.00 70.33 70.06 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 -0.74 -0.78 1.79 -1.93 -3.07 116.57 111.83 1x3d h LYS 31 Ca -0.36 0.00 -0.36 0.00 -2.18 0.00 0.00 60.65 57.76 1x3d h LYS 31 Cb 1.19 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 31.43 1x3d h LYS 31 CO 0.58 0.11 -1.06 0.09 -1.08 0.00 0.00 179.45 178.09 1x3d n ASN 32 N -4.06 2.36 -3.59 0.86 5.03 -1.26 0.06 115.26 114.66 1x3d n ASN 32 Ca -0.02 -2.65 -0.06 0.00 0.87 0.00 0.00 54.58 52.72 1x3d n ASN 32 Cb 0.19 -0.47 -0.02 0.00 -1.02 0.00 0.00 39.78 38.46 1x3d n ASN 32 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1x3d s SER 33 N -3.56 -0.26 -0.28 6.41 0.15 -1.17 -2.19 113.70 112.80 1x3d s SER 33 Ca 0.33 -0.11 -0.03 0.00 0.70 0.00 0.00 55.95 56.83 1x3d s SER 33 Cb 0.38 0.36 0.16 0.00 -1.71 0.00 0.00 66.02 65.21 1x3d s SER 33 CO -0.02 -0.62 0.55 -0.76 1.20 0.00 0.00 173.24 173.59 1x3d s LEU 34 N -2.60 -1.15 -0.25 3.45 1.43 -0.30 -1.60 118.68 117.66 1x3d s LEU 34 Ca 0.08 0.85 -0.12 0.00 -1.03 0.00 0.00 54.13 53.92 1x3d s LEU 34 Cb -0.01 1.92 -0.05 0.00 0.03 0.00 0.00 46.19 48.09 1x3d s LEU 34 CO -0.05 -0.26 0.23 -0.89 0.23 0.00 0.00 176.35 175.60 1x3d s THR 35 N 2.78 5.30 -0.06 5.49 2.01 0.25 -1.26 115.64 130.16 1x3d s THR 35 Ca 0.14 0.29 0.06 0.00 0.31 0.00 0.00 61.69 62.48 1x3d s THR 35 Cb -0.14 -3.56 -0.01 0.00 0.01 0.00 0.00 72.50 68.79 1x3d s THR 35 CO -0.19 0.27 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.02 1x3d s LEU 36 N 1.48 2.16 -0.00 4.42 1.43 -1.13 -2.39 118.68 124.65 1x3d s LEU 36 Ca 0.10 -0.47 0.06 0.00 -1.03 0.00 0.00 54.13 52.79 1x3d s LEU 36 Cb -0.15 -1.40 -0.02 0.00 0.03 0.00 0.00 46.19 44.65 1x3d s LEU 36 CO 0.08 0.26 -0.20 -1.10 0.23 0.00 0.00 176.35 175.61 1x3d s GLN 37 N -0.22 1.60 0.17 1.70 -0.21 -0.36 -2.99 119.66 119.35 1x3d s GLN 37 Ca -0.01 -0.77 -0.06 0.00 0.02 0.00 0.00 55.36 54.53 1x3d s GLN 37 Cb -0.13 -1.58 -0.02 0.00 1.00 0.00 0.00 33.01 32.28 1x3d s GLN 37 CO 0.03 0.43 0.22 1.67 -2.12 0.00 0.00 175.29 175.52 1x3d s TRP 38 N -0.54 0.64 0.53 0.91 -2.14 -0.91 -0.91 118.94 116.52 1x3d s TRP 38 Ca 0.08 -0.98 0.05 0.00 2.66 0.00 0.00 56.10 57.91 1x3d s TRP 38 Cb -0.08 -0.22 0.03 0.00 -3.10 0.00 0.00 33.47 30.10 1x3d s TRP 38 CO -0.00 -0.69 0.34 -1.59 -2.66 0.00 0.00 176.95 172.35 1x3d s LYS 39 N -4.03 2.25 -0.14 3.25 -2.85 -1.26 -4.78 119.74 112.18 1x3d s LYS 39 Ca 0.23 -2.06 -0.12 0.00 -1.00 0.00 0.00 55.97 53.02 1x3d s LYS 39 Cb 0.04 -2.02 -0.05 0.00 -2.06 0.00 0.00 37.83 33.75 1x3d s LYS 39 CO 0.04 -0.56 0.24 0.00 0.10 0.00 0.00 175.35 175.17 1x3d s ALA 40 N -2.78 3.68 1.00 0.59 0.00 -1.26 -4.83 121.76 118.16 1x3d s ALA 40 Ca 0.30 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.75 1x3d s ALA 40 Cb -0.02 -2.27 0.00 0.00 0.00 0.00 0.00 23.12 20.84 1x3d s ALA 40 CO 0.19 0.25 0.00 -0.35 0.00 0.00 0.00 175.76 175.85 1x3d n PRO 41 N 3.06 0.23 -3.20 0.00 -0.04 -1.26 -4.97 135.00 128.82 1x3d n PRO 41 Ca -0.14 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.89 1x3d n PRO 41 Cb 0.53 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.91 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 -1.52 6.29 -0.55 3.54 0.01 -1.26 -5.02 113.70 115.20 1x3d s SER 42 Ca 0.00 -0.33 -0.28 0.00 1.31 0.00 0.00 55.95 56.65 1x3d s SER 42 Cb 0.00 -2.28 0.01 0.00 0.21 0.00 0.00 66.02 63.96 1x3d s SER 42 CO 0.00 -0.64 1.43 -1.81 0.41 0.00 0.00 173.24 172.62 1x3d s ASP 43 N 1.88 6.13 -0.17 2.44 1.11 -1.26 -4.26 116.67 122.53 1x3d s ASP 43 Ca 0.19 0.34 0.01 0.00 0.18 0.00 0.00 52.55 53.27 1x3d s ASP 43 Cb -0.15 -2.54 0.01 0.00 1.07 0.00 0.00 42.92 41.31 1x3d s ASP 43 CO 0.16 -1.70 -0.18 0.54 1.18 0.00 0.00 175.17 175.17 1x3d s ASN 44 N 4.47 3.30 0.00 0.27 2.20 -1.26 -4.76 114.94 119.16 1x3d s ASN 44 Ca 0.54 -0.59 0.00 0.00 -0.94 0.00 0.00 52.86 51.86 1x3d s ASN 44 Cb -0.11 -1.51 0.00 0.00 -2.00 0.00 0.00 41.25 37.63 1x3d s ASN 44 CO 0.26 0.03 0.00 0.61 -2.94 0.00 0.00 177.10 175.05 1x3d n GLY 45 N 4.44 2.81 3.64 0.45 0.00 -1.26 -4.77 105.19 110.50 1x3d n GLY 45 Ca -0.20 -0.70 -0.04 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.01 0.67 1.61 0.15 -1.26 -5.11 113.70 108.74 1x3d s SER 46 Ca 0.00 1.51 -0.15 0.00 0.70 0.00 0.00 55.95 58.01 1x3d s SER 46 Cb 0.00 1.75 -0.13 0.00 -1.71 0.00 0.00 66.02 65.93 1x3d s SER 46 CO 0.00 -0.23 -0.43 2.29 1.20 0.00 0.00 173.24 176.07 1x3d n LYS 47 N 4.75 0.00 -2.94 5.44 0.00 -1.26 -4.59 118.16 119.56 1x3d n LYS 47 Ca -0.17 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.74 1x3d n LYS 47 Cb 0.55 -0.85 -0.04 0.00 -0.00 0.00 0.00 35.03 34.68 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 -1.71 4.95 0.05 0.58 1.01 -1.26 -4.26 121.20 120.56 1x3d s ILE 48 Ca 0.41 1.59 -0.26 0.00 0.00 0.00 0.00 60.65 62.38 1x3d s ILE 48 Cb -0.27 -4.11 -0.14 0.00 0.01 0.00 0.00 42.46 37.95 1x3d s ILE 48 CO 0.65 0.14 1.39 1.56 0.00 0.00 0.00 174.94 178.68 1x3d h GLN 49 N 7.04 -0.83 -3.21 2.79 1.08 -1.60 -3.48 115.11 116.90 1x3d h GLN 49 Ca -0.36 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 56.90 1x3d h GLN 49 Cb 1.17 0.19 -0.05 0.00 -0.05 0.00 0.00 27.48 28.74 1x3d h GLN 49 CO 0.79 -0.55 0.13 0.54 -0.95 0.00 0.00 178.83 178.79 1x3d s ASN 50 N -3.52 -0.10 -0.14 1.46 6.03 -1.24 -4.82 114.94 112.61 1x3d s ASN 50 Ca -0.13 -0.84 -0.08 0.00 -1.03 0.00 0.00 52.86 50.77 1x3d s ASN 50 Cb 0.02 0.72 -0.04 0.00 -3.03 0.00 0.00 41.25 38.91 1x3d s ASN 50 CO 0.42 -1.37 0.14 -0.36 -2.03 0.00 0.00 177.10 173.90 1x3d s PHE 51 N -3.57 3.54 -0.24 1.54 0.08 -0.11 -3.47 117.98 115.76 1x3d s PHE 51 Ca 0.16 0.48 -0.00 0.00 0.12 0.00 0.00 56.93 57.68 1x3d s PHE 51 Cb -0.04 -2.02 0.03 0.00 -0.57 0.00 0.00 43.02 40.42 1x3d s PHE 51 CO 0.09 0.60 -0.10 0.08 -0.10 0.00 0.00 175.22 175.79 1x3d s VAL 52 N -0.60 2.57 0.01 -0.44 1.01 -0.99 -1.82 120.40 120.15 1x3d s VAL 52 Ca 0.13 -1.12 0.02 0.00 0.00 0.00 0.00 61.98 61.01 1x3d s VAL 52 Cb -0.12 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 1x3d s VAL 52 CO 0.02 0.23 0.01 -0.22 0.00 0.00 0.00 175.10 175.14 1x3d s LEU 53 N 1.28 3.54 0.04 3.92 2.96 0.72 -2.87 118.68 128.27 1x3d s LEU 53 Ca -0.01 -0.01 0.00 0.00 -0.22 0.00 0.00 54.13 53.89 1x3d s LEU 53 Cb -0.16 -2.05 -0.03 0.00 0.50 0.00 0.00 46.19 44.44 1x3d s LEU 53 CO -0.06 0.27 -0.04 -1.61 -1.32 0.00 0.00 176.35 173.59 1x3d s GLU 54 N -1.64 0.51 0.12 1.98 8.01 -1.09 -0.21 118.70 126.38 1x3d s GLU 54 Ca 0.20 -0.94 -0.20 0.00 0.01 0.00 0.00 54.97 54.04 1x3d s GLU 54 Cb -0.12 0.06 0.05 0.00 -4.31 0.00 0.00 34.13 29.82 1x3d s GLU 54 CO 0.11 -0.06 0.51 1.67 0.01 0.00 0.00 175.26 177.50 1x3d s TRP 55 N -2.62 -0.38 -0.22 1.61 1.48 -1.12 -2.12 118.94 115.55 1x3d s TRP 55 Ca -0.03 0.18 0.02 0.00 -1.06 0.00 0.00 56.10 55.20 1x3d s TRP 55 Cb -0.01 0.40 0.31 0.00 -1.16 0.00 0.00 33.47 33.00 1x3d s TRP 55 CO -0.05 -0.75 1.49 -0.40 -4.06 0.00 0.00 176.95 173.18 1x3d n ASP 56 N -0.17 3.64 -2.49 -2.66 5.75 -1.22 -3.08 116.55 116.33 1x3d n ASP 56 Ca -0.17 -2.79 0.00 0.00 -0.01 0.00 0.00 54.79 51.82 1x3d n ASP 56 Cb 0.64 -0.70 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 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 -0.22 -2.99 -4.07 0.11 1.02 -1.26 -0.23 120.64 113.01 1x3d n GLU 57 Ca 0.28 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 57.14 1x3d n GLU 57 Cb 1.01 -4.48 -0.04 0.00 -0.02 0.00 0.00 31.44 27.92 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 -0.50 -0.24 0.09 0.62 0.00 -1.26 -4.89 105.19 99.01 1x3d n GLY 58 Ca 0.00 0.15 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 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 -4.43 0.51 0.00 1.61 5.02 0.68 -4.85 118.16 116.71 1x3d n LYS 59 Ca -0.24 0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1x3d n LYS 59 Cb 0.65 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 34.10 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 1.49 0.96 0.16 0.72 0.00 -1.26 -5.05 105.19 102.20 1x3d n GLY 60 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 1.88 0.00 1.61 6.94 -1.26 -5.06 115.26 119.37 1x3d n ASN 61 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1x3d n ASN 61 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1x3d n ASN 61 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1x3d n GLY 62 N 2.52 1.73 3.42 4.83 0.00 -1.26 -5.09 105.19 111.35 1x3d n GLY 62 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.02 3.06 -0.18 1.61 2.02 -1.26 -5.05 118.70 118.89 1x3d s GLU 63 Ca 0.00 -1.08 -0.15 0.00 0.02 0.00 0.00 54.97 53.76 1x3d s GLU 63 Cb 0.00 -4.11 -0.04 0.00 0.10 0.00 0.00 34.13 30.08 1x3d s GLU 63 CO 0.00 -1.14 0.34 -0.06 0.02 0.00 0.00 175.26 174.42 1x3d s PHE 64 N 2.22 3.41 0.28 1.61 0.40 -1.26 -4.06 117.98 120.58 1x3d s PHE 64 Ca 0.10 0.60 0.02 0.00 -0.60 0.00 0.00 56.93 57.05 1x3d s PHE 64 Cb -0.21 -2.43 -0.06 0.00 0.51 0.00 0.00 43.02 40.83 1x3d s PHE 64 CO 0.10 0.11 0.08 0.00 0.70 0.00 0.00 175.22 176.21 1x3d s GLN 66 N -3.99 4.15 -0.17 0.00 0.74 -1.26 -2.80 119.66 116.33 1x3d s GLN 66 Ca 0.37 2.53 -0.10 0.00 0.05 0.00 0.00 55.36 58.22 1x3d s GLN 66 Cb 0.08 -4.04 -0.07 0.00 1.10 0.00 0.00 33.01 30.08 1x3d s GLN 66 CO 0.14 -0.92 -0.24 0.00 -0.55 0.00 0.00 175.29 173.73 1x3d s TYR 68 N -2.38 -0.18 -0.11 0.00 6.14 -1.09 -5.00 117.35 114.72 1x3d s TYR 68 Ca -0.25 0.52 -0.01 0.00 0.64 0.00 0.00 57.07 57.96 1x3d s TYR 68 Cb 0.09 -0.06 0.04 0.00 0.42 0.00 0.00 41.96 42.44 1x3d s TYR 68 CO 0.32 -0.17 -0.01 1.41 0.64 0.00 0.00 175.55 177.74 1x3d s MET 69 N 1.12 0.83 0.00 4.97 -2.45 -1.26 -0.20 119.30 122.31 1x3d s MET 69 Ca -0.09 -0.11 0.00 0.00 -1.25 0.00 0.00 55.69 54.24 1x3d s MET 69 Cb -0.11 -1.40 0.00 0.00 1.25 0.00 0.00 34.83 34.57 1x3d s MET 69 CO -0.06 -0.38 0.00 0.41 1.05 0.00 0.00 175.02 176.04 1x3d n GLY 70 N 5.07 -1.55 0.21 2.11 0.00 -0.75 -4.96 105.19 105.32 1x3d n GLY 70 Ca -0.09 -1.09 -0.15 0.00 0.00 0.00 0.00 46.02 44.70 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 0.78 -3.14 1.61 0.87 -1.87 -0.25 113.55 111.55 1x3d h SER 71 Ca 0.00 -0.51 -0.58 0.00 -1.23 0.00 0.00 61.79 59.47 1x3d h SER 71 Cb 0.00 -0.23 0.17 0.00 -0.44 0.00 0.00 62.40 61.90 1x3d h SER 71 CO 0.00 1.29 -0.20 0.00 -0.53 0.00 0.00 176.83 177.39 1x3d n GLN 72 N -3.90 0.66 -0.72 2.24 6.02 -1.26 -4.76 117.38 115.67 1x3d n GLN 72 Ca -0.06 0.26 -0.01 0.00 -0.01 0.00 0.00 57.00 57.17 1x3d n GLN 72 Cb 0.74 -1.86 0.21 0.00 1.02 0.00 0.00 30.24 30.35 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 -0.33 1.95 -3.73 -1.09 5.02 -1.26 -4.83 118.16 113.88 1x3d n LYS 73 Ca 0.12 -3.12 -0.12 0.00 -2.02 0.00 0.00 58.31 53.17 1x3d n LYS 73 Cb 0.47 -1.80 -0.12 0.00 -0.02 0.00 0.00 35.03 33.56 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 -3.18 0.33 -0.13 1.97 0.74 -1.26 -2.14 119.66 115.99 1x3d s GLN 74 Ca 0.43 0.56 -0.06 0.00 0.05 0.00 0.00 55.36 56.34 1x3d s GLN 74 Cb 0.39 0.04 0.05 0.00 1.10 0.00 0.00 33.01 34.59 1x3d s GLN 74 CO 0.01 -0.11 0.29 0.12 -0.55 0.00 0.00 175.29 175.05 1x3d s PHE 75 N 0.82 -0.42 -0.39 1.67 5.36 -1.16 -5.05 117.98 118.81 1x3d s PHE 75 Ca -0.05 0.95 -0.12 0.00 -0.96 0.00 0.00 56.93 56.75 1x3d s PHE 75 Cb -0.06 0.09 0.04 0.00 -0.34 0.00 0.00 43.02 42.75 1x3d s PHE 75 CO -0.06 -0.28 0.24 0.21 -1.46 0.00 0.00 175.22 173.87 1x3d s LYS 76 N 1.48 2.82 -0.56 10.12 2.20 -1.26 -2.84 119.74 131.69 1x3d s LYS 76 Ca -0.08 -1.15 -0.25 0.00 -0.36 0.00 0.00 55.97 54.13 1x3d s LYS 76 Cb -0.10 -3.80 0.04 0.00 -1.51 0.00 0.00 37.83 32.45 1x3d s LYS 76 CO -0.10 -0.77 1.02 0.42 -0.36 0.00 0.00 175.35 175.57 1x3d s ILE 77 N 1.56 4.27 0.52 5.43 1.01 -0.39 -4.88 121.20 128.73 1x3d s ILE 77 Ca 0.03 0.46 0.03 0.00 0.00 0.00 0.00 60.65 61.16 1x3d s ILE 77 Cb -0.20 -4.60 0.10 0.00 0.01 0.00 0.00 42.46 37.77 1x3d s ILE 77 CO 0.07 -1.19 0.72 0.35 0.00 0.00 0.00 174.94 174.88 1x3d n THR 78 N 6.33 0.00 -3.22 2.92 -2.24 -1.26 -1.15 114.28 115.67 1x3d n THR 78 Ca 0.04 -1.35 -0.15 0.00 -2.27 0.00 0.00 64.05 60.32 1x3d n THR 78 Cb 0.48 -0.84 0.08 0.00 -2.10 0.00 0.00 70.33 67.94 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 -2.27 -5.65 -3.84 -0.78 4.76 -0.93 -4.87 118.16 104.58 1x3d n LYS 79 Ca 0.13 0.71 -0.22 0.00 -2.87 0.00 0.00 58.31 56.06 1x3d n LYS 79 Cb 0.47 -5.33 -0.05 0.00 -1.84 0.00 0.00 35.03 28.28 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 -3.67 0.00 -4.28 -0.35 4.77 -1.09 -4.98 117.00 107.39 1x3d n LEU 80 Ca -0.23 -2.20 -0.21 0.00 -0.03 0.00 0.00 56.01 53.34 1x3d n LEU 80 Cb 0.64 0.26 -0.12 0.00 -2.33 0.00 0.00 43.42 41.87 1x3d n LEU 80 CO 0.51 -0.31 -0.48 -0.44 -1.33 0.00 0.00 177.39 175.34 1x3d s SER 81 N -2.92 2.39 0.53 -1.43 0.01 -1.21 -4.03 113.70 107.04 1x3d s SER 81 Ca 0.01 -0.78 -0.20 0.00 1.31 0.00 0.00 55.95 56.29 1x3d s SER 81 Cb 0.00 -0.12 -0.06 0.00 0.21 0.00 0.00 66.02 66.05 1x3d s SER 81 CO 0.00 -0.04 1.14 -2.16 0.41 0.00 0.00 173.24 172.59 1x3d s PRO 82 N -2.42 3.42 -1.24 12.44 0.04 0.11 -3.52 135.00 143.83 1x3d s PRO 82 Ca 0.10 1.64 -0.06 0.00 0.04 0.00 0.00 61.00 62.72 1x3d s PRO 82 Cb -0.07 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.40 1x3d s PRO 82 CO 0.05 -0.80 0.80 0.00 0.04 0.00 0.00 177.00 177.09 1x3d n ALA 83 N -1.16 -0.99 -3.78 8.56 0.00 -1.24 -4.99 120.51 116.90 1x3d n ALA 83 Ca 0.11 0.31 -0.34 0.00 0.00 0.00 0.00 53.44 53.51 1x3d n ALA 83 Cb 0.50 -4.21 -0.14 0.00 0.00 0.00 0.00 19.45 15.60 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 -5.87 2.77 -0.32 0.00 0.00 -1.23 -4.93 119.30 109.72 1x3d s MET 84 Ca 0.40 -1.02 -0.26 0.00 0.00 0.00 0.00 55.69 54.81 1x3d s MET 84 Cb -0.17 -2.96 0.01 0.00 0.00 0.00 0.00 34.83 31.71 1x3d s MET 84 CO 0.49 -0.41 0.90 0.20 0.00 0.00 0.00 175.02 176.20 1x3d s GLY 85 N 1.30 1.64 -0.02 2.11 0.00 -1.26 -2.84 107.32 108.25 1x3d s GLY 85 Ca -0.01 -0.30 0.07 0.00 0.00 0.00 0.00 44.72 44.48 1x3d s GLY 85 CO -0.05 1.96 -0.23 0.00 0.00 0.00 0.00 173.10 174.78 1x3d s LYS 87 N -0.47 3.58 0.01 0.00 1.02 -1.26 -0.75 119.74 121.87 1x3d s LYS 87 Ca 0.07 -0.06 0.02 0.00 0.02 0.00 0.00 55.97 56.01 1x3d s LYS 87 Cb -0.10 -3.09 -0.01 0.00 -0.52 0.00 0.00 37.83 34.11 1x3d s LYS 87 CO -0.00 0.66 -0.06 -0.06 -0.92 0.00 0.00 175.35 174.97 1x3d s PHE 88 N -1.27 0.50 -0.02 3.18 0.08 -0.40 -3.40 117.98 116.65 1x3d s PHE 88 Ca 0.26 -0.17 0.01 0.00 0.12 0.00 0.00 56.93 57.15 1x3d s PHE 88 Cb -0.13 -0.31 0.01 0.00 -0.57 0.00 0.00 43.02 42.02 1x3d s PHE 88 CO 0.15 -0.02 -0.03 -0.98 -0.10 0.00 0.00 175.22 174.23 1x3d s ARG 89 N -0.43 0.44 -0.09 0.44 1.70 -0.90 -1.93 118.95 118.18 1x3d s ARG 89 Ca -0.01 -0.08 -0.00 0.00 -0.47 0.00 0.00 55.73 55.18 1x3d s ARG 89 Cb -0.04 -0.49 -0.03 0.00 -0.57 0.00 0.00 34.95 33.83 1x3d s ARG 89 CO -0.00 -0.01 -0.07 -1.17 -1.08 0.00 0.00 175.30 172.97 1x3d s LEU 90 N 0.44 3.11 -0.07 -1.89 2.96 -1.26 -2.68 118.68 119.29 1x3d s LEU 90 Ca -0.05 -0.09 -0.06 0.00 -0.22 0.00 0.00 54.13 53.71 1x3d s LEU 90 Cb -0.08 -1.69 0.02 0.00 0.50 0.00 0.00 46.19 44.94 1x3d s LEU 90 CO -0.01 0.30 0.18 -0.94 -1.32 0.00 0.00 176.35 174.57 1x3d s SER 91 N -0.44 -0.18 -0.16 3.68 1.04 -1.14 -0.60 113.70 115.90 1x3d s SER 91 Ca 0.06 0.34 -0.07 0.00 0.48 0.00 0.00 55.95 56.77 1x3d s SER 91 Cb -0.12 0.36 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 1x3d s SER 91 CO 0.02 -0.07 0.07 0.00 0.98 0.00 0.00 173.24 174.24 1x3d s ALA 92 N 0.04 3.48 -0.11 5.32 0.00 -1.26 -2.33 121.76 126.90 1x3d s ALA 92 Ca -0.01 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.26 1x3d s ALA 92 Cb -0.01 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.22 1x3d s ALA 92 CO 0.00 0.29 -0.23 0.50 0.00 0.00 0.00 175.76 176.33 1x3d s ARG 93 N 0.01 2.96 0.29 0.00 3.52 -1.23 -0.20 118.95 124.30 1x3d s ARG 93 Ca 0.06 -0.84 0.00 0.00 -0.13 0.00 0.00 55.73 54.82 1x3d s ARG 93 Cb -0.12 -2.29 -0.00 0.00 -1.56 0.00 0.00 34.95 30.98 1x3d s ARG 93 CO 0.01 0.11 0.00 0.27 -0.81 0.00 0.00 175.30 174.89 1x3d n ASN 94 N 3.70 2.71 -0.65 -2.12 0.23 -1.03 -1.51 115.26 116.59 1x3d n ASN 94 Ca -0.19 -2.27 0.51 0.00 -0.53 0.00 0.00 54.58 52.09 1x3d n ASN 94 Cb 0.52 0.23 0.79 0.00 -2.08 0.00 0.00 39.78 39.24 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 0.71 0.00 0.04 0.53 3.58 -1.81 -0.86 116.42 118.61 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 0.73 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.78 1x3d h ASP 95 CO 0.39 0.00 -0.02 1.88 -2.88 0.00 0.00 179.24 178.62 1x3d h TYR 96 N 0.00 -0.05 0.00 0.28 -1.99 -1.93 -3.51 116.97 109.78 1x3d h TYR 96 Ca 0.89 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.61 1x3d h TYR 96 Cb 3.64 0.02 0.00 0.00 2.00 0.00 0.00 36.73 42.39 1x3d h TYR 96 CO 0.00 -0.03 0.00 0.41 -0.00 0.00 0.00 178.16 178.54 1x3d n GLY 97 N 1.52 -1.02 3.61 3.88 0.00 -0.33 -5.06 105.19 107.80 1x3d n GLY 97 Ca -0.01 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.50 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 3.87 0.70 2.61 2.01 -1.26 -2.46 115.64 119.10 1x3d s THR 98 Ca 0.00 0.93 -0.14 0.00 0.31 0.00 0.00 61.69 62.79 1x3d s THR 98 Cb 0.00 -4.03 0.02 0.00 0.01 0.00 0.00 72.50 68.50 1x3d s THR 98 CO 0.00 -0.56 1.12 -0.94 -0.69 0.00 0.00 174.62 173.55 1x3d s SER 99 N 3.97 4.79 0.34 3.53 1.04 0.72 -4.91 113.70 123.19 1x3d s SER 99 Ca 0.64 2.02 -0.13 0.00 0.48 0.00 0.00 55.95 58.97 1x3d s SER 99 Cb -0.17 -2.55 -0.10 0.00 0.10 0.00 0.00 66.02 63.29 1x3d s SER 99 CO 0.30 -1.84 -0.07 0.61 0.98 0.00 0.00 173.24 173.21 1x3d n GLY 100 N -0.49 -2.19 3.71 7.32 0.00 -1.26 -4.34 105.19 107.93 1x3d n GLY 100 Ca 0.11 -0.11 -0.39 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 -1.36 3.54 1.01 1.61 0.40 -1.26 -4.60 117.98 117.31 1x3d s PHE 101 Ca 0.40 1.15 -0.19 0.00 -0.60 0.00 0.00 56.93 57.69 1x3d s PHE 101 Cb -0.36 -2.77 0.03 0.00 0.51 0.00 0.00 43.02 40.44 1x3d s PHE 101 CO 0.45 0.07 -0.37 -1.13 0.70 0.00 0.00 175.22 174.94 1x3d n SER 102 N 3.93 -2.68 -4.67 1.36 3.41 0.24 -4.78 113.62 110.42 1x3d n SER 102 Ca -0.02 -0.15 -0.42 0.00 -0.26 0.00 0.00 58.87 58.02 1x3d n SER 102 Cb 0.51 -0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 63.70 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 -2.92 4.20 0.04 4.33 2.02 -1.26 -4.66 118.70 120.45 1x3d s GLU 103 Ca 0.41 2.23 -0.34 0.00 0.02 0.00 0.00 54.97 57.29 1x3d s GLU 103 Cb -0.03 -3.80 -0.13 0.00 0.10 0.00 0.00 34.13 30.27 1x3d s GLU 103 CO 0.53 -0.78 1.73 0.39 0.02 0.00 0.00 175.26 177.15 1x3d n GLU 104 N 6.37 2.19 -4.20 1.61 4.71 -1.26 -4.79 120.64 125.27 1x3d n GLU 104 Ca 0.16 0.80 -0.34 0.00 -0.01 0.00 0.00 57.16 57.77 1x3d n GLU 104 Cb 0.42 -2.61 -0.14 0.00 -1.01 0.00 0.00 31.44 28.10 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 2.48 3.29 -0.39 2.62 -7.23 -0.81 -4.91 120.40 115.45 1x3d s VAL 105 Ca 0.85 -0.54 -0.16 0.00 -1.81 0.00 0.00 61.98 60.32 1x3d s VAL 105 Cb -0.68 -2.46 0.01 0.00 0.56 0.00 0.00 36.38 33.81 1x3d s VAL 105 CO 0.44 0.46 0.41 -0.22 -0.31 0.00 0.00 175.10 175.88 1x3d s LEU 106 N 1.05 4.70 0.05 1.32 2.96 -1.26 -1.28 118.68 126.22 1x3d s LEU 106 Ca 0.00 -0.49 0.03 0.00 -0.22 0.00 0.00 54.13 53.45 1x3d s LEU 106 Cb -0.15 -2.37 -0.04 0.00 0.50 0.00 0.00 46.19 44.14 1x3d s LEU 106 CO -0.01 -0.48 0.00 -0.31 -1.32 0.00 0.00 176.35 174.24 1x3d s TYR 107 N 2.08 3.03 -0.26 5.38 2.02 0.07 -4.89 117.35 124.79 1x3d s TYR 107 Ca 0.12 0.02 0.00 0.00 -0.37 0.00 0.00 57.07 56.84 1x3d s TYR 107 Cb -0.17 -1.60 0.05 0.00 -0.40 0.00 0.00 41.96 39.84 1x3d s TYR 107 CO 0.13 0.47 -0.07 0.71 -1.57 0.00 0.00 175.55 175.22 1x3d s TYR 108 N -1.22 3.18 0.93 2.71 1.51 -1.26 -0.46 117.35 122.74 1x3d s TYR 108 Ca 0.23 -1.94 -0.17 0.00 -1.01 0.00 0.00 57.07 54.19 1x3d s TYR 108 Cb -0.12 -2.02 -0.15 0.00 -0.11 0.00 0.00 41.96 39.57 1x3d s TYR 108 CO 0.15 -0.81 -0.73 0.25 -1.11 0.00 0.00 175.55 173.30 1x3d n THR 109 N 4.56 0.00 -1.18 -0.71 -2.24 -1.13 -4.82 114.28 108.76 1x3d n THR 109 Ca -0.15 -0.49 -0.35 0.00 -2.27 0.00 0.00 64.05 60.79 1x3d n THR 109 Cb 0.44 0.00 0.09 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 3.34 -0.57 0.00 3.42 2.88 -1.20 -3.96 113.62 117.53 1x3d n SER 110 Ca -0.01 0.57 0.00 0.00 -1.33 0.00 0.00 58.87 58.10 1x3d n SER 110 Cb 0.54 -1.31 0.00 0.00 -0.75 0.00 0.00 64.21 62.69 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 1.31 -0.74 2.87 0.46 0.00 -1.26 -3.63 105.19 104.20 1x3d n GLY 111 Ca 0.11 0.07 -0.52 0.00 0.00 0.00 0.00 46.02 45.68 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 3.12 6.70 0.00 0.00 0.15 -1.26 -5.09 113.70 117.31 1x3d s SER 113 Ca 0.87 0.84 0.00 0.00 0.70 0.00 0.00 55.95 58.36 1x3d s SER 113 Cb -1.19 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 60.91 1x3d s SER 113 CO 0.61 0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.92 1x3d n GLY 114 N 1.36 4.93 0.00 9.45 0.00 -1.26 -5.02 105.19 114.66 1x3d n GLY 114 Ca -0.11 -1.70 0.07 0.00 0.00 0.00 0.00 46.02 44.28 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 0.10 -2.60 1.61 -0.04 -1.26 -4.76 135.00 128.06 1x3d n PRO 115 Ca 0.00 0.21 -0.40 0.00 -0.04 0.00 0.00 63.50 63.26 1x3d n PRO 115 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 1x3d n PRO 115 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x3d s SER 116 N -2.79 7.42 0.22 3.54 1.04 -1.26 -5.06 113.70 116.80 1x3d s SER 116 Ca 0.10 2.08 0.11 0.00 0.48 0.00 0.00 55.95 58.73 1x3d s SER 116 Cb 0.09 -2.61 -0.05 0.00 0.10 0.00 0.00 66.02 63.56 1x3d s SER 116 CO 0.24 -0.05 -0.20 -0.44 0.98 0.00 0.00 173.24 173.77 1x3d s SER 117 N -0.74 3.66 0.00 7.02 0.01 -1.26 -5.12 113.70 117.26 1x3d s SER 117 Ca 0.45 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.85 1x3d s SER 117 Cb -0.29 -0.37 0.00 0.00 0.21 0.00 0.00 66.02 65.58 1x3d s SER 117 CO 0.36 0.09 0.42 0.61 0.41 0.00 0.00 173.24 175.13