#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 -0.52 0.02 1.61 0.01 -1.26 -5.18 113.70 108.39 1x3d s SER 2 Ca 0.00 0.86 -0.16 0.00 1.31 0.00 0.00 55.95 57.95 1x3d s SER 2 Cb 0.00 1.15 0.03 0.00 0.21 0.00 0.00 66.02 67.41 1x3d s SER 2 CO 0.00 -0.14 0.36 -0.94 0.41 0.00 0.00 173.24 172.93 1x3d s SER 3 N 1.14 -0.22 0.00 2.44 1.04 -1.26 -5.11 113.70 111.74 1x3d s SER 3 Ca -0.07 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.34 1x3d s SER 3 Cb -0.04 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1x3d s SER 3 CO -0.14 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.11 1x3d n GLY 4 N 0.75 1.81 3.49 7.32 0.00 -1.26 -5.14 105.19 112.16 1x3d n GLY 4 Ca -0.19 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.13 1x3d n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x3d s SER 5 N 0.00 4.97 -0.23 1.61 0.15 -1.26 -5.08 113.70 113.87 1x3d s SER 5 Ca 0.00 -0.14 -0.28 0.00 0.70 0.00 0.00 55.95 56.23 1x3d s SER 5 Cb 0.00 -1.84 0.14 0.00 -1.71 0.00 0.00 66.02 62.60 1x3d s SER 5 CO 0.00 0.10 1.09 -0.55 1.20 0.00 0.00 173.24 175.08 1x3d s SER 6 N 0.78 -0.34 -0.69 5.45 0.15 -1.26 -5.09 113.70 112.70 1x3d s SER 6 Ca 0.01 0.50 0.05 0.00 0.70 0.00 0.00 55.95 57.20 1x3d s SER 6 Cb -0.14 0.46 0.27 0.00 -1.71 0.00 0.00 66.02 64.89 1x3d s SER 6 CO 0.02 -0.22 0.87 0.61 1.20 0.00 0.00 173.24 175.72 1x3d n GLY 7 N 1.31 4.96 3.22 9.45 0.00 -1.26 -4.98 105.19 117.89 1x3d n GLY 7 Ca -0.10 -2.77 -0.01 0.00 0.00 0.00 0.00 46.02 43.14 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 -2.64 -1.83 -0.02 4.61 0.00 -1.26 -5.13 121.76 115.48 1x3d s ALA 8 Ca 0.40 1.71 -0.30 0.00 0.00 0.00 0.00 51.96 53.77 1x3d s ALA 8 Cb 0.15 -1.88 -0.05 0.00 0.00 0.00 0.00 23.12 21.34 1x3d s ALA 8 CO -0.01 -1.17 1.44 -1.83 0.00 0.00 0.00 175.76 174.20 1x3d s GLU 9 N 2.77 4.25 0.19 0.00 -1.05 -1.26 -5.01 118.70 118.60 1x3d s GLU 9 Ca 0.11 1.99 -0.10 0.00 -0.15 0.00 0.00 54.97 56.82 1x3d s GLU 9 Cb -0.14 -3.67 -0.07 0.00 -0.44 0.00 0.00 34.13 29.81 1x3d s GLU 9 CO -0.18 -0.65 0.51 0.96 0.95 0.00 0.00 175.26 176.85 1x3d s ILE 10 N 2.83 4.96 -0.53 1.83 -0.00 -1.26 -5.04 121.20 123.98 1x3d s ILE 10 Ca 0.65 0.46 0.07 0.00 -0.00 0.00 0.00 60.65 61.83 1x3d s ILE 10 Cb -0.31 -3.64 0.28 0.00 -0.00 0.00 0.00 42.46 38.79 1x3d s ILE 10 CO 0.26 0.02 0.74 0.49 -0.00 0.00 0.00 174.94 176.45 1x3d n PHE 11 N 0.11 2.38 -3.17 1.37 3.72 -1.26 -5.06 117.46 115.55 1x3d n PHE 11 Ca -0.01 -3.94 -0.43 0.00 -0.05 0.00 0.00 57.45 53.02 1x3d n PHE 11 Cb 0.52 -0.48 -0.07 0.00 -0.94 0.00 0.00 39.48 38.51 1x3d n PHE 11 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1x3d s THR 12 N -2.62 4.91 1.01 4.37 -4.23 -1.26 -5.05 115.64 112.77 1x3d s THR 12 Ca 0.41 0.06 -0.17 0.00 -1.18 0.00 0.00 61.69 60.81 1x3d s THR 12 Cb 0.21 -4.13 -0.03 0.00 1.34 0.00 0.00 72.50 69.89 1x3d s THR 12 CO -0.07 -0.49 -0.28 0.35 -0.54 0.00 0.00 174.62 173.58 1x3d n THR 13 N 5.69 0.00 -3.87 3.99 -2.24 -1.26 -4.94 114.28 111.64 1x3d n THR 13 Ca -0.03 -0.27 -0.29 0.00 -2.27 0.00 0.00 64.05 61.19 1x3d n THR 13 Cb 0.48 -0.37 -0.11 0.00 -2.10 0.00 0.00 70.33 68.23 1x3d n THR 13 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1x3d s LEU 14 N 2.50 4.91 -0.64 3.22 1.02 -1.26 -4.94 118.68 123.50 1x3d s LEU 14 Ca 0.49 -3.83 0.03 0.00 0.02 0.00 0.00 54.13 50.85 1x3d s LEU 14 Cb -0.14 -1.67 0.36 0.00 0.02 0.00 0.00 46.19 44.76 1x3d s LEU 14 CO 0.71 -0.10 1.22 -1.54 0.02 0.00 0.00 176.35 176.66 1x3d n SER 15 N 2.03 5.27 -4.15 2.29 3.41 -1.26 -3.44 113.62 117.76 1x3d n SER 15 Ca 0.20 -3.71 -0.10 0.00 -0.26 0.00 0.00 58.87 55.00 1x3d n SER 15 Cb 0.35 -0.67 -0.10 0.00 -0.26 0.00 0.00 64.21 63.53 1x3d n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x3d n GLU 17 N -0.03 0.04 -0.47 0.00 0.28 -1.26 -4.81 120.64 114.39 1x3d n GLU 17 Ca -0.10 0.02 -0.13 0.00 -0.16 0.00 0.00 57.16 56.79 1x3d n GLU 17 Cb 0.62 -1.17 0.11 0.00 1.43 0.00 0.00 31.44 32.43 1x3d n GLU 17 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 1x3d n PRO 18 N 1.39 -1.99 -3.95 3.44 -0.04 -1.26 -4.94 135.00 127.65 1x3d n PRO 18 Ca 0.04 -0.78 -0.26 0.00 -0.04 0.00 0.00 63.50 62.46 1x3d n PRO 18 Cb 0.51 -0.74 -0.03 0.00 -0.04 0.00 0.00 33.50 33.21 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 -2.83 6.32 -0.23 3.54 -1.08 -1.26 -4.64 116.67 116.49 1x3d s ASP 19 Ca 0.32 0.16 -0.29 0.00 -0.52 0.00 0.00 52.55 52.22 1x3d s ASP 19 Cb -0.03 -1.90 -0.03 0.00 -1.46 0.00 0.00 42.92 39.50 1x3d s ASP 19 CO 0.24 0.05 1.80 -0.63 0.52 0.00 0.00 175.17 177.16 1x3d s ILE 20 N -1.75 3.45 0.66 4.11 1.01 -1.26 -4.69 121.20 122.72 1x3d s ILE 20 Ca 0.34 0.49 -0.15 0.00 0.00 0.00 0.00 60.65 61.34 1x3d s ILE 20 Cb -0.11 -3.50 -0.00 0.00 0.01 0.00 0.00 42.46 38.86 1x3d s ILE 20 CO 0.28 -0.25 1.11 -2.16 0.00 0.00 0.00 174.94 173.92 1x3d s PRO 21 N 5.21 2.81 0.70 2.79 0.04 -1.26 -4.94 135.00 140.35 1x3d s PRO 21 Ca 0.80 1.39 -0.16 0.00 0.04 0.00 0.00 61.00 63.08 1x3d s PRO 21 Cb -0.27 -1.95 0.02 0.00 0.04 0.00 0.00 34.50 32.34 1x3d s PRO 21 CO 0.33 -1.24 1.21 -0.80 0.04 0.00 0.00 177.00 176.54 1x3d s ASN 22 N -2.58 4.40 0.44 6.66 0.01 -1.26 -4.32 114.94 118.28 1x3d s ASN 22 Ca 0.67 2.38 -0.24 0.00 -0.71 0.00 0.00 52.86 54.96 1x3d s ASN 22 Cb -0.20 -2.59 -0.08 0.00 0.41 0.00 0.00 41.25 38.79 1x3d s ASN 22 CO 0.41 -2.13 1.17 -2.16 -1.51 0.00 0.00 177.10 172.89 1x3d s PRO 23 N -3.78 3.86 0.48 -0.60 0.04 -1.26 -4.80 135.00 128.93 1x3d s PRO 23 Ca 0.75 1.81 -0.22 0.00 0.04 0.00 0.00 61.00 63.39 1x3d s PRO 23 Cb -0.30 -2.51 -0.07 0.00 0.04 0.00 0.00 34.50 31.66 1x3d s PRO 23 CO 0.43 -0.48 1.16 -1.25 0.04 0.00 0.00 177.00 176.90 1x3d s PRO 24 N -2.55 3.65 0.43 0.56 0.04 -1.26 -4.94 135.00 130.93 1x3d s PRO 24 Ca 0.61 1.73 0.08 0.00 0.04 0.00 0.00 61.00 63.46 1x3d s PRO 24 Cb -0.30 -2.30 -0.02 0.00 0.04 0.00 0.00 34.50 31.93 1x3d s PRO 24 CO 0.37 -0.63 0.38 -0.98 0.04 0.00 0.00 177.00 176.17 1x3d s ARG 25 N -2.86 2.50 -0.22 4.56 1.70 -0.02 -4.85 118.95 119.75 1x3d s ARG 25 Ca 0.66 -1.58 -0.12 0.00 -0.47 0.00 0.00 55.73 54.22 1x3d s ARG 25 Cb -0.27 -2.35 -0.05 0.00 -0.57 0.00 0.00 34.95 31.71 1x3d s ARG 25 CO 0.33 -0.23 0.24 0.42 -1.08 0.00 0.00 175.30 174.97 1x3d s ILE 26 N -2.50 5.31 -0.17 4.99 -1.09 -1.26 -1.21 121.20 125.28 1x3d s ILE 26 Ca 0.47 0.35 0.05 0.00 -2.23 0.00 0.00 60.65 59.30 1x3d s ILE 26 Cb -0.03 -3.57 -0.07 0.00 -1.58 0.00 0.00 42.46 37.21 1x3d s ILE 26 CO 0.27 0.32 0.19 0.00 -1.23 0.00 0.00 174.94 174.49 1x3d n ALA 27 N 4.27 2.52 -3.21 9.38 0.00 -1.12 -4.98 120.51 127.37 1x3d n ALA 27 Ca -0.13 -0.14 0.04 0.00 0.00 0.00 0.00 53.44 53.21 1x3d n ALA 27 Cb 0.52 -0.19 -0.03 0.00 0.00 0.00 0.00 19.45 19.75 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 -1.87 -0.30 -0.06 0.00 2.47 -1.25 -5.02 114.94 108.92 1x3d s ASN 28 Ca 0.01 0.29 0.01 0.00 0.42 0.00 0.00 52.86 53.59 1x3d s ASN 28 Cb 0.04 1.29 0.02 0.00 -1.45 0.00 0.00 41.25 41.15 1x3d s ASN 28 CO 0.22 -0.06 -0.07 0.00 -3.72 0.00 0.00 177.10 173.47 1x3d s ARG 29 N 2.58 1.18 0.38 0.43 1.70 -1.26 0.18 118.95 124.13 1x3d s ARG 29 Ca -0.02 -0.22 0.02 0.00 -0.47 0.00 0.00 55.73 55.04 1x3d s ARG 29 Cb -0.06 -1.10 0.02 0.00 -0.57 0.00 0.00 34.95 33.24 1x3d s ARG 29 CO -0.13 -0.07 0.19 0.25 -1.08 0.00 0.00 175.30 174.46 1x3d n THR 30 N 4.08 0.00 0.22 4.99 -2.24 -0.50 -4.14 114.28 116.70 1x3d n THR 30 Ca -0.22 -1.60 0.10 0.00 -2.27 0.00 0.00 64.05 60.05 1x3d n THR 30 Cb 0.51 0.01 0.50 0.00 -2.10 0.00 0.00 70.33 69.25 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 -0.37 -0.78 1.57 -1.92 -2.89 116.57 112.17 1x3d h LYS 31 Ca -0.27 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.25 1x3d h LYS 31 Cb 0.90 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 32.84 1x3d h LYS 31 CO 0.43 0.23 -0.99 0.09 -0.57 0.00 0.00 179.45 178.64 1x3d n ASN 32 N -3.48 2.14 -3.64 0.86 3.02 -1.26 0.12 115.26 113.02 1x3d n ASN 32 Ca -0.00 -2.53 -0.05 0.00 -0.03 0.00 0.00 54.58 51.97 1x3d n ASN 32 Cb 0.40 -0.42 -0.02 0.00 -0.61 0.00 0.00 39.78 39.14 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 -3.34 -0.24 -0.25 6.41 0.01 -1.22 -1.80 113.70 113.27 1x3d s SER 33 Ca 0.34 -0.22 -0.13 0.00 1.31 0.00 0.00 55.95 57.25 1x3d s SER 33 Cb 0.36 0.42 0.08 0.00 0.21 0.00 0.00 66.02 67.09 1x3d s SER 33 CO -0.05 -0.74 0.60 -0.76 0.41 0.00 0.00 173.24 172.69 1x3d s LEU 34 N -2.75 -0.74 -0.15 2.44 1.43 0.16 -1.40 118.68 117.66 1x3d s LEU 34 Ca 0.09 1.34 -0.02 0.00 -1.03 0.00 0.00 54.13 54.51 1x3d s LEU 34 Cb -0.01 2.06 -0.02 0.00 0.03 0.00 0.00 46.19 48.25 1x3d s LEU 34 CO -0.03 -0.23 -0.07 -0.89 0.23 0.00 0.00 176.35 175.36 1x3d s THR 35 N 1.78 3.50 -0.03 5.49 2.01 0.46 0.57 115.64 129.43 1x3d s THR 35 Ca -0.09 -0.49 0.05 0.00 0.31 0.00 0.00 61.69 61.46 1x3d s THR 35 Cb -0.07 -2.52 -0.01 0.00 0.01 0.00 0.00 72.50 69.91 1x3d s THR 35 CO -0.18 0.50 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.32 1x3d s LEU 36 N 0.50 1.97 0.19 4.42 1.43 -1.10 -2.78 118.68 123.30 1x3d s LEU 36 Ca -0.06 -0.32 0.09 0.00 -1.03 0.00 0.00 54.13 52.81 1x3d s LEU 36 Cb -0.15 -0.90 -0.04 0.00 0.03 0.00 0.00 46.19 45.12 1x3d s LEU 36 CO 0.03 0.18 -0.19 -1.10 0.23 0.00 0.00 176.35 175.50 1x3d s GLN 37 N -0.20 1.36 0.20 1.70 -0.21 -0.35 -2.92 119.66 119.25 1x3d s GLN 37 Ca 0.02 -1.48 -0.23 0.00 0.02 0.00 0.00 55.36 53.69 1x3d s GLN 37 Cb -0.09 -1.45 0.06 0.00 1.00 0.00 0.00 33.01 32.54 1x3d s GLN 37 CO 0.00 0.29 0.95 1.67 -2.12 0.00 0.00 175.29 176.08 1x3d s TRP 38 N -2.12 -0.05 0.44 0.91 -2.14 -1.09 -0.84 118.94 114.04 1x3d s TRP 38 Ca 0.19 -0.33 0.03 0.00 2.66 0.00 0.00 56.10 58.65 1x3d s TRP 38 Cb -0.06 0.68 -0.02 0.00 -3.10 0.00 0.00 33.47 30.98 1x3d s TRP 38 CO 0.08 -0.97 0.09 0.15 -2.66 0.00 0.00 176.95 173.65 1x3d s LYS 39 N -2.94 2.00 0.01 3.25 1.02 -1.26 -4.80 119.74 117.02 1x3d s LYS 39 Ca 0.15 -2.24 -0.18 0.00 0.02 0.00 0.00 55.97 53.72 1x3d s LYS 39 Cb -0.02 -0.88 -0.06 0.00 -0.52 0.00 0.00 37.83 36.35 1x3d s LYS 39 CO 0.04 -0.44 0.51 0.00 -0.92 0.00 0.00 175.35 174.55 1x3d s ALA 40 N -3.11 3.59 1.00 5.17 0.00 -1.26 -4.82 121.76 122.32 1x3d s ALA 40 Ca 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.07 1x3d s ALA 40 Cb 0.02 -2.58 0.00 0.00 0.00 0.00 0.00 23.12 20.56 1x3d s ALA 40 CO 0.11 0.32 0.00 -0.35 0.00 0.00 0.00 175.76 175.85 1x3d n PRO 41 N 2.22 0.16 -3.16 0.00 -0.04 -1.26 -4.97 135.00 127.96 1x3d n PRO 41 Ca -0.10 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.93 1x3d n PRO 41 Cb 0.51 0.00 -0.07 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 6.31 -0.58 3.54 0.01 -1.26 -5.00 113.70 115.20 1x3d s SER 42 Ca 0.00 -0.31 -0.26 0.00 1.31 0.00 0.00 55.95 56.68 1x3d s SER 42 Cb 0.00 -2.30 -0.03 0.00 0.21 0.00 0.00 66.02 63.90 1x3d s SER 42 CO 0.00 -0.69 1.95 1.51 0.41 0.00 0.00 173.24 176.42 1x3d s ASP 43 N 1.92 5.15 -0.92 2.44 -4.77 -1.26 -4.37 116.67 114.85 1x3d s ASP 43 Ca 0.20 0.49 -0.07 0.00 -3.30 0.00 0.00 52.55 49.88 1x3d s ASP 43 Cb -0.15 -2.52 0.23 0.00 -1.09 0.00 0.00 42.92 39.39 1x3d s ASP 43 CO 0.17 -2.44 0.85 0.54 0.70 0.00 0.00 175.17 174.99 1x3d s ASN 44 N 8.72 6.50 0.00 2.11 2.20 -1.26 -4.75 114.94 128.46 1x3d s ASN 44 Ca 0.73 -3.39 0.00 0.00 -0.94 0.00 0.00 52.86 49.26 1x3d s ASN 44 Cb -0.14 -2.06 0.00 0.00 -2.00 0.00 0.00 41.25 37.05 1x3d s ASN 44 CO 0.22 -0.31 0.00 0.61 -2.94 0.00 0.00 177.10 174.68 1x3d n GLY 45 N 2.89 2.02 3.61 0.45 0.00 -1.22 -4.49 105.19 108.45 1x3d n GLY 45 Ca 0.19 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 1x3d n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x3d s SER 46 N -2.01 3.31 0.26 1.61 1.04 -1.26 -4.95 113.70 111.70 1x3d s SER 46 Ca 0.00 -1.68 -0.21 0.00 0.48 0.00 0.00 55.95 54.54 1x3d s SER 46 Cb 0.00 0.53 -0.09 0.00 0.10 0.00 0.00 66.02 66.57 1x3d s SER 46 CO 0.00 -0.92 0.79 -0.75 0.98 0.00 0.00 173.24 173.35 1x3d s LYS 47 N -3.76 4.32 -0.32 4.02 2.47 -1.26 -4.81 119.74 120.41 1x3d s LYS 47 Ca 0.17 0.99 -0.29 0.00 -1.56 0.00 0.00 55.97 55.27 1x3d s LYS 47 Cb 0.02 -2.81 0.01 0.00 -1.46 0.00 0.00 37.83 33.59 1x3d s LYS 47 CO 0.10 0.33 1.20 0.42 0.16 0.00 0.00 175.35 177.56 1x3d s ILE 48 N -1.60 4.30 0.02 5.43 1.01 -1.26 -4.23 121.20 124.87 1x3d s ILE 48 Ca 0.46 1.47 -0.08 0.00 0.00 0.00 0.00 60.65 62.51 1x3d s ILE 48 Cb -0.16 -4.30 -0.04 0.00 0.01 0.00 0.00 42.46 37.97 1x3d s ILE 48 CO 0.21 -0.51 1.13 1.56 0.00 0.00 0.00 174.94 177.33 1x3d h GLN 49 N 8.77 -0.18 -3.54 2.79 4.20 -1.21 -3.47 115.11 122.46 1x3d h GLN 49 Ca -0.24 0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.43 1x3d h GLN 49 Cb 1.08 0.04 -0.07 0.00 0.30 0.00 0.00 27.48 28.83 1x3d h GLN 49 CO 1.04 -0.12 -0.04 0.54 -0.67 0.00 0.00 178.83 179.58 1x3d s ASN 50 N -2.91 0.01 -0.06 1.46 6.03 -1.22 -4.84 114.94 113.41 1x3d s ASN 50 Ca -0.04 -0.97 -0.11 0.00 -1.03 0.00 0.00 52.86 50.72 1x3d s ASN 50 Cb 0.01 0.64 -0.05 0.00 -3.03 0.00 0.00 41.25 38.83 1x3d s ASN 50 CO 0.14 -1.24 0.28 -0.36 -2.03 0.00 0.00 177.10 173.88 1x3d s PHE 51 N -3.73 3.66 -0.35 1.54 0.08 -0.30 -3.19 117.98 115.69 1x3d s PHE 51 Ca 0.21 0.76 -0.02 0.00 0.12 0.00 0.00 56.93 58.00 1x3d s PHE 51 Cb -0.02 -2.12 0.08 0.00 -0.57 0.00 0.00 43.02 40.39 1x3d s PHE 51 CO 0.10 0.68 0.09 0.08 -0.10 0.00 0.00 175.22 176.07 1x3d s VAL 52 N -1.02 3.02 0.08 -0.44 1.01 -0.77 -2.26 120.40 120.02 1x3d s VAL 52 Ca 0.19 -1.77 -0.08 0.00 0.00 0.00 0.00 61.98 60.33 1x3d s VAL 52 Cb -0.14 -2.93 -0.06 0.00 0.00 0.00 0.00 36.38 33.25 1x3d s VAL 52 CO 0.09 -0.40 0.37 -0.22 0.00 0.00 0.00 175.10 174.93 1x3d s LEU 53 N 1.17 4.33 0.00 3.92 2.96 0.64 -3.27 118.68 128.43 1x3d s LEU 53 Ca 0.02 0.70 -0.06 0.00 -0.22 0.00 0.00 54.13 54.57 1x3d s LEU 53 Cb -0.21 -2.99 -0.00 0.00 0.50 0.00 0.00 46.19 43.49 1x3d s LEU 53 CO -0.03 0.16 0.11 -1.61 -1.32 0.00 0.00 176.35 173.66 1x3d s GLU 54 N -2.05 0.43 0.17 1.98 8.01 -1.11 -0.77 118.70 125.36 1x3d s GLU 54 Ca 0.34 -0.39 -0.13 0.00 0.01 0.00 0.00 54.97 54.80 1x3d s GLU 54 Cb -0.13 0.17 0.01 0.00 -4.31 0.00 0.00 34.13 29.87 1x3d s GLU 54 CO 0.19 -0.10 0.38 1.67 0.01 0.00 0.00 175.26 177.41 1x3d s TRP 55 N -1.28 0.16 -0.47 1.61 1.48 -1.08 -2.06 118.94 117.29 1x3d s TRP 55 Ca -0.14 -0.52 0.01 0.00 -1.06 0.00 0.00 56.10 54.39 1x3d s TRP 55 Cb -0.07 0.13 0.45 0.00 -1.16 0.00 0.00 33.47 32.82 1x3d s TRP 55 CO 0.01 -0.78 1.91 -0.40 -4.06 0.00 0.00 176.95 173.63 1x3d n ASP 56 N -0.25 5.68 -2.03 -2.66 5.68 -1.20 -2.04 116.55 119.73 1x3d n ASP 56 Ca -0.09 -3.46 0.00 0.00 -0.50 0.00 0.00 54.79 50.74 1x3d n ASP 56 Cb 0.63 -0.91 0.00 0.00 -1.14 0.00 0.00 41.12 39.70 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 -0.66 -2.46 -4.01 0.11 1.02 -1.26 0.15 120.64 113.53 1x3d n GLU 57 Ca 0.51 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 57.37 1x3d n GLU 57 Cb 1.01 -3.84 -0.02 0.00 -0.02 0.00 0.00 31.44 28.57 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 -0.37 -0.28 0.11 0.62 0.00 -1.26 -4.89 105.19 99.11 1x3d n GLY 58 Ca 0.00 0.15 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 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 -4.41 0.55 0.00 1.61 5.02 0.12 -4.73 118.16 116.32 1x3d n LYS 59 Ca -0.21 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 1x3d n LYS 59 Cb 0.64 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 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 0.84 0.34 0.72 0.00 -1.26 -5.05 105.19 102.19 1x3d n GLY 60 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 2.21 0.00 1.61 0.23 -1.26 -5.06 115.26 112.98 1x3d n ASN 61 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1x3d n ASN 61 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 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 2.91 1.81 3.12 4.83 0.00 -1.26 -5.12 105.19 111.47 1x3d n GLY 62 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.13 2.45 -0.11 1.61 0.41 -1.26 -5.10 118.70 116.57 1x3d s GLU 63 Ca 0.00 -1.22 -0.15 0.00 -0.41 0.00 0.00 54.97 53.19 1x3d s GLU 63 Cb 0.00 -2.93 -0.05 0.00 -1.78 0.00 0.00 34.13 29.38 1x3d s GLU 63 CO 0.00 -0.51 0.35 -0.06 -0.49 0.00 0.00 175.26 174.55 1x3d s PHE 64 N 1.19 3.54 0.11 1.61 0.40 -1.26 -4.10 117.98 119.47 1x3d s PHE 64 Ca -0.05 0.75 0.05 0.00 -0.60 0.00 0.00 56.93 57.08 1x3d s PHE 64 Cb -0.19 -2.36 -0.04 0.00 0.51 0.00 0.00 43.02 40.95 1x3d s PHE 64 CO -0.05 0.35 -0.13 0.00 0.70 0.00 0.00 175.22 176.08 1x3d n GLN 66 N 0.65 1.09 -0.09 0.00 7.27 -1.26 -2.65 117.38 122.39 1x3d n GLN 66 Ca -0.16 0.26 -0.16 0.00 0.07 0.00 0.00 57.00 57.01 1x3d n GLN 66 Cb 0.57 -2.58 -0.08 0.00 2.41 0.00 0.00 30.24 30.55 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 -2.32 -0.53 -0.14 0.00 6.14 -1.15 -5.02 117.35 114.34 1x3d s TYR 68 Ca -0.24 1.19 -0.02 0.00 0.64 0.00 0.00 57.07 58.64 1x3d s TYR 68 Cb 0.05 0.21 0.05 0.00 0.42 0.00 0.00 41.96 42.68 1x3d s TYR 68 CO 0.47 -0.29 0.02 1.41 0.64 0.00 0.00 175.55 177.81 1x3d s MET 69 N 0.89 0.64 0.00 4.97 1.75 -1.26 -0.26 119.30 126.02 1x3d s MET 69 Ca -0.05 -0.17 -0.05 0.00 -1.25 0.00 0.00 55.69 54.16 1x3d s MET 69 Cb -0.06 -1.60 0.02 0.00 2.84 0.00 0.00 34.83 36.03 1x3d s MET 69 CO -0.07 -0.49 0.24 0.41 -0.65 0.00 0.00 175.02 174.46 1x3d n GLY 70 N 5.10 0.69 0.09 2.11 0.00 -0.96 -4.96 105.19 107.26 1x3d n GLY 70 Ca -0.08 -0.89 -0.14 0.00 0.00 0.00 0.00 46.02 44.91 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 0.38 0.32 -2.96 1.61 0.87 -1.88 -0.79 113.55 111.10 1x3d h SER 71 Ca -0.04 -0.34 -0.58 0.00 -1.23 0.00 0.00 61.79 59.59 1x3d h SER 71 Cb 0.23 -0.10 0.17 0.00 -0.44 0.00 0.00 62.40 62.25 1x3d h SER 71 CO 0.06 1.27 -0.35 0.00 -0.53 0.00 0.00 176.83 177.28 1x3d n GLN 72 N -3.49 0.55 -0.06 2.24 6.02 -1.26 -4.82 117.38 116.56 1x3d n GLN 72 Ca -0.06 0.22 0.05 0.00 -0.01 0.00 0.00 57.00 57.19 1x3d n GLN 72 Cb 1.00 -1.72 0.08 0.00 1.02 0.00 0.00 30.24 30.62 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 -0.07 1.35 -3.90 -1.09 5.02 -1.26 -4.84 118.16 113.38 1x3d n LYS 73 Ca 0.12 -1.45 -0.18 0.00 -2.02 0.00 0.00 58.31 54.77 1x3d n LYS 73 Cb 0.47 -1.22 -0.17 0.00 -0.02 0.00 0.00 35.03 34.09 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 -0.92 0.33 -0.03 1.97 0.74 -1.26 -2.67 119.66 117.82 1x3d s GLN 74 Ca 0.16 0.10 0.00 0.00 0.05 0.00 0.00 55.36 55.67 1x3d s GLN 74 Cb 0.10 -0.57 0.03 0.00 1.10 0.00 0.00 33.01 33.67 1x3d s GLN 74 CO 0.14 -0.17 0.01 0.12 -0.55 0.00 0.00 175.29 174.83 1x3d s PHE 75 N 1.25 0.24 -0.36 1.67 5.36 -1.15 -5.04 117.98 119.95 1x3d s PHE 75 Ca -0.07 0.04 -0.10 0.00 -0.96 0.00 0.00 56.93 55.84 1x3d s PHE 75 Cb -0.13 -0.37 0.03 0.00 -0.34 0.00 0.00 43.02 42.20 1x3d s PHE 75 CO -0.02 -0.12 0.18 0.21 -1.46 0.00 0.00 175.22 174.00 1x3d s LYS 76 N 1.08 2.81 -0.36 10.12 2.20 -1.26 -2.72 119.74 131.61 1x3d s LYS 76 Ca -0.09 -1.08 -0.27 0.00 -0.36 0.00 0.00 55.97 54.17 1x3d s LYS 76 Cb -0.13 -3.65 0.02 0.00 -1.51 0.00 0.00 37.83 32.56 1x3d s LYS 76 CO -0.02 -0.67 1.00 0.42 -0.36 0.00 0.00 175.35 175.72 1x3d s ILE 77 N 1.52 4.52 0.54 5.43 1.01 0.19 -4.86 121.20 129.55 1x3d s ILE 77 Ca 0.01 1.42 0.08 0.00 0.00 0.00 0.00 60.65 62.16 1x3d s ILE 77 Cb -0.19 -4.39 0.08 0.00 0.01 0.00 0.00 42.46 37.97 1x3d s ILE 77 CO 0.06 -0.55 0.64 0.35 0.00 0.00 0.00 174.94 175.44 1x3d n THR 78 N 6.01 0.00 -3.33 2.92 -2.24 -1.26 0.36 114.28 116.73 1x3d n THR 78 Ca 0.09 -1.88 -0.16 0.00 -2.27 0.00 0.00 64.05 59.83 1x3d n THR 78 Cb 0.48 -0.40 0.08 0.00 -2.10 0.00 0.00 70.33 68.39 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 -2.05 -6.21 -3.07 -0.78 5.02 -0.75 -4.86 118.16 105.46 1x3d n LYS 79 Ca 0.10 0.77 -0.15 0.00 -2.02 0.00 0.00 58.31 57.01 1x3d n LYS 79 Cb 0.57 -5.58 -0.02 0.00 -0.02 0.00 0.00 35.03 29.98 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 -3.96 0.00 -4.21 -0.35 4.77 -0.87 -4.97 117.00 107.41 1x3d n LEU 80 Ca -0.23 -1.57 -0.19 0.00 -0.03 0.00 0.00 56.01 53.99 1x3d n LEU 80 Cb 0.64 0.09 -0.12 0.00 -2.33 0.00 0.00 43.42 41.71 1x3d n LEU 80 CO 0.56 -0.32 -0.46 -0.94 -1.33 0.00 0.00 177.39 174.90 1x3d s SER 81 N -2.54 1.91 0.44 -1.43 1.04 -1.20 -4.07 113.70 107.86 1x3d s SER 81 Ca 0.07 -0.69 -0.24 0.00 0.48 0.00 0.00 55.95 55.58 1x3d s SER 81 Cb -0.01 -0.07 -0.08 0.00 0.10 0.00 0.00 66.02 65.97 1x3d s SER 81 CO 0.05 -0.08 1.17 -2.16 0.98 0.00 0.00 173.24 173.20 1x3d s PRO 82 N -2.06 3.83 -1.16 4.02 0.04 0.12 -3.50 135.00 136.30 1x3d s PRO 82 Ca 0.03 1.80 -0.07 0.00 0.04 0.00 0.00 61.00 62.80 1x3d s PRO 82 Cb -0.08 -2.48 0.01 0.00 0.04 0.00 0.00 34.50 31.98 1x3d s PRO 82 CO 0.03 -0.50 1.01 0.00 0.04 0.00 0.00 177.00 177.58 1x3d n ALA 83 N -0.33 -1.18 -3.85 8.56 0.00 -1.26 -4.89 120.51 117.56 1x3d n ALA 83 Ca 0.06 0.32 -0.33 0.00 0.00 0.00 0.00 53.44 53.49 1x3d n ALA 83 Cb 0.47 -4.60 -0.12 0.00 0.00 0.00 0.00 19.45 15.20 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 -6.05 2.14 -0.07 0.00 0.00 -1.23 -4.96 119.30 109.14 1x3d s MET 84 Ca 0.46 -2.42 -0.29 0.00 0.00 0.00 0.00 55.69 53.44 1x3d s MET 84 Cb -0.20 -3.49 -0.07 0.00 0.00 0.00 0.00 34.83 31.06 1x3d s MET 84 CO 0.63 -1.11 2.05 0.20 0.00 0.00 0.00 175.02 176.79 1x3d s GLY 85 N 0.43 1.09 -0.04 2.11 0.00 -1.26 -3.98 107.32 105.67 1x3d s GLY 85 Ca 0.15 1.10 0.03 0.00 0.00 0.00 0.00 44.72 46.00 1x3d s GLY 85 CO -0.03 3.59 -0.13 0.00 0.00 0.00 0.00 173.10 176.53 1x3d s LYS 87 N 0.21 3.53 0.02 0.00 1.02 -1.26 -1.37 119.74 121.89 1x3d s LYS 87 Ca -0.05 -0.30 -0.05 0.00 0.02 0.00 0.00 55.97 55.59 1x3d s LYS 87 Cb -0.11 -2.83 -0.01 0.00 -0.52 0.00 0.00 37.83 34.37 1x3d s LYS 87 CO 0.02 0.39 0.08 -0.06 -0.92 0.00 0.00 175.35 174.85 1x3d s PHE 88 N -1.87 0.16 -0.08 3.18 0.40 -0.74 -3.21 117.98 115.83 1x3d s PHE 88 Ca 0.39 -0.38 -0.06 0.00 -0.60 0.00 0.00 56.93 56.28 1x3d s PHE 88 Cb -0.11 -0.12 0.03 0.00 0.51 0.00 0.00 43.02 43.32 1x3d s PHE 88 CO 0.29 -0.29 0.19 -0.98 0.70 0.00 0.00 175.22 175.13 1x3d s ARG 89 N -1.84 0.20 -0.03 0.44 1.70 -0.87 -2.36 118.95 116.18 1x3d s ARG 89 Ca -0.12 0.32 0.02 0.00 -0.47 0.00 0.00 55.73 55.49 1x3d s ARG 89 Cb -0.06 0.04 -0.03 0.00 -0.57 0.00 0.00 34.95 34.33 1x3d s ARG 89 CO -0.01 -0.07 -0.08 -1.17 -1.08 0.00 0.00 175.30 172.89 1x3d s LEU 90 N 0.42 3.11 -0.06 -1.89 2.96 -1.26 -2.76 118.68 119.20 1x3d s LEU 90 Ca -0.03 -0.10 -0.17 0.00 -0.22 0.00 0.00 54.13 53.62 1x3d s LEU 90 Cb -0.04 -1.72 0.03 0.00 0.50 0.00 0.00 46.19 44.96 1x3d s LEU 90 CO -0.02 0.32 0.38 -0.94 -1.32 0.00 0.00 176.35 174.78 1x3d s SER 91 N -1.08 -0.31 -0.00 3.68 1.04 -1.20 -1.21 113.70 114.61 1x3d s SER 91 Ca 0.14 0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.94 1x3d s SER 91 Cb -0.11 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 1x3d s SER 91 CO 0.04 -0.38 0.05 0.00 0.98 0.00 0.00 173.24 173.93 1x3d s ALA 92 N -0.88 3.46 -0.05 5.32 0.00 -1.26 -1.85 121.76 126.50 1x3d s ALA 92 Ca -0.09 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 50.98 1x3d s ALA 92 Cb -0.04 -1.48 0.02 0.00 0.00 0.00 0.00 23.12 21.62 1x3d s ALA 92 CO 0.04 0.67 -0.06 0.50 0.00 0.00 0.00 175.76 176.91 1x3d s ARG 93 N -1.65 0.96 0.36 0.00 3.52 -1.19 -0.24 118.95 120.70 1x3d s ARG 93 Ca 0.21 -0.15 0.01 0.00 -0.13 0.00 0.00 55.73 55.67 1x3d s ARG 93 Cb -0.12 -0.92 0.01 0.00 -1.56 0.00 0.00 34.95 32.36 1x3d s ARG 93 CO 0.12 -0.06 0.08 0.27 -0.81 0.00 0.00 175.30 174.90 1x3d n ASN 94 N 4.01 2.75 -0.41 -2.12 6.94 0.08 -0.65 115.26 125.86 1x3d n ASN 94 Ca -0.25 -2.46 0.34 0.00 -0.02 0.00 0.00 54.58 52.19 1x3d n ASN 94 Cb 0.51 0.17 0.64 0.00 -2.36 0.00 0.00 39.78 38.73 1x3d n ASN 94 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 1x3d h ASP 95 N 0.73 0.25 0.00 0.53 5.19 -1.96 -2.41 116.42 118.74 1x3d h ASP 95 Ca -0.27 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.23 1x3d h ASP 95 Cb 0.87 0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.44 1x3d h ASP 95 CO 0.45 -0.06 0.00 -1.22 -3.12 0.00 0.00 179.24 175.29 1x3d n TYR 96 N -4.54 0.00 -2.73 4.55 4.02 -1.26 -5.06 117.16 112.14 1x3d n TYR 96 Ca 0.32 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.21 1x3d n TYR 96 Cb 1.29 -0.44 0.00 0.00 -0.02 0.00 0.00 39.34 40.16 1x3d n TYR 96 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1x3d n GLY 97 N 0.70 1.83 3.71 2.72 0.00 -0.91 -5.02 105.19 108.21 1x3d n GLY 97 Ca 0.00 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.58 5.18 0.62 2.61 2.01 -1.26 -0.74 115.64 121.48 1x3d s THR 98 Ca 0.00 0.10 -0.12 0.00 0.31 0.00 0.00 61.69 61.99 1x3d s THR 98 Cb 0.00 -3.34 -0.03 0.00 0.01 0.00 0.00 72.50 69.13 1x3d s THR 98 CO 0.00 0.46 1.03 -0.55 -0.69 0.00 0.00 174.62 174.88 1x3d s SER 99 N 0.24 6.09 1.00 3.53 0.15 0.66 -4.93 113.70 120.44 1x3d s SER 99 Ca 0.07 1.49 -0.19 0.00 0.70 0.00 0.00 55.95 58.02 1x3d s SER 99 Cb -0.12 -2.48 -0.13 0.00 -1.71 0.00 0.00 66.02 61.58 1x3d s SER 99 CO -0.01 -0.96 -0.79 0.61 1.20 0.00 0.00 173.24 173.29 1x3d n GLY 100 N -2.42 -3.96 3.81 9.45 0.00 -1.26 -4.48 105.19 106.34 1x3d n GLY 100 Ca 0.06 -0.66 -0.38 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.05 3.66 1.13 1.61 0.40 -1.26 -4.58 117.98 116.89 1x3d s PHE 101 Ca 0.42 0.92 -0.19 0.00 -0.60 0.00 0.00 56.93 57.48 1x3d s PHE 101 Cb -0.12 -2.32 0.12 0.00 0.51 0.00 0.00 43.02 41.21 1x3d s PHE 101 CO 0.77 0.53 0.06 -1.13 0.70 0.00 0.00 175.22 176.15 1x3d n SER 102 N 2.30 -2.35 -4.67 1.36 3.41 -0.35 -4.82 113.62 108.51 1x3d n SER 102 Ca -0.13 -0.15 -0.42 0.00 -0.26 0.00 0.00 58.87 57.91 1x3d n SER 102 Cb 0.52 -0.97 -0.03 0.00 -0.26 0.00 0.00 64.21 63.48 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 -3.50 4.17 -0.31 4.33 2.02 -1.26 -4.72 118.70 119.43 1x3d s GLU 103 Ca 0.57 2.36 -0.41 0.00 0.02 0.00 0.00 54.97 57.51 1x3d s GLU 103 Cb -0.12 -3.89 -0.16 0.00 0.10 0.00 0.00 34.13 30.06 1x3d s GLU 103 CO 0.66 -0.84 1.77 0.39 0.02 0.00 0.00 175.26 177.27 1x3d n GLU 104 N 6.69 1.02 -3.90 1.61 1.02 -1.26 -4.84 120.64 120.99 1x3d n GLU 104 Ca 0.17 0.37 -0.36 0.00 -0.02 0.00 0.00 57.16 57.33 1x3d n GLU 104 Cb 0.41 -2.06 -0.13 0.00 -0.02 0.00 0.00 31.44 29.65 1x3d n GLU 104 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1x3d s VAL 105 N 3.82 4.08 -0.30 2.62 -7.23 -1.00 -4.95 120.40 117.44 1x3d s VAL 105 Ca 1.00 -0.26 -0.19 0.00 -1.81 0.00 0.00 61.98 60.73 1x3d s VAL 105 Cb -1.11 -2.88 -0.01 0.00 0.56 0.00 0.00 36.38 32.94 1x3d s VAL 105 CO 0.66 0.39 0.56 -0.22 -0.31 0.00 0.00 175.10 176.18 1x3d s LEU 106 N 1.33 4.16 -0.00 1.32 2.96 -1.26 -1.78 118.68 125.40 1x3d s LEU 106 Ca 0.04 0.34 0.07 0.00 -0.22 0.00 0.00 54.13 54.37 1x3d s LEU 106 Cb -0.15 -2.70 -0.02 0.00 0.50 0.00 0.00 46.19 43.83 1x3d s LEU 106 CO 0.02 -0.41 -0.23 -0.31 -1.32 0.00 0.00 176.35 174.10 1x3d s TYR 107 N 2.45 2.05 -0.17 5.38 2.02 -0.47 -4.97 117.35 123.63 1x3d s TYR 107 Ca 0.22 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.54 1x3d s TYR 107 Cb -0.15 -1.29 0.01 0.00 -0.40 0.00 0.00 41.96 40.12 1x3d s TYR 107 CO 0.11 0.00 -0.17 0.71 -1.57 0.00 0.00 175.55 174.63 1x3d s TYR 108 N -0.61 2.77 0.84 2.71 1.51 -1.26 -0.40 117.35 122.91 1x3d s TYR 108 Ca 0.09 -1.30 -0.16 0.00 -1.01 0.00 0.00 57.07 54.70 1x3d s TYR 108 Cb -0.09 -1.90 -0.07 0.00 -0.11 0.00 0.00 41.96 39.79 1x3d s TYR 108 CO -0.00 -0.62 0.01 0.25 -1.11 0.00 0.00 175.55 174.08 1x3d n THR 109 N 4.31 0.53 -0.23 -0.71 -2.24 -1.26 -4.83 114.28 109.86 1x3d n THR 109 Ca -0.20 -0.38 -0.06 0.00 -2.27 0.00 0.00 64.05 61.14 1x3d n THR 109 Cb 0.51 -0.39 -0.06 0.00 -2.10 0.00 0.00 70.33 68.29 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 0.92 -0.59 0.00 3.42 2.88 -1.10 -4.08 113.62 115.08 1x3d n SER 110 Ca 0.05 1.37 0.00 0.00 -1.33 0.00 0.00 58.87 58.97 1x3d n SER 110 Cb 0.52 -0.32 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 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 -1.14 2.48 3.67 0.46 0.00 -1.26 -4.45 105.19 104.94 1x3d n GLY 111 Ca 0.01 0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.98 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 3.85 -0.30 0.00 0.00 0.15 -1.26 -5.10 113.70 111.03 1x3d s SER 113 Ca 0.84 0.58 0.00 0.00 0.70 0.00 0.00 55.95 58.07 1x3d s SER 113 Cb -0.42 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 1x3d s SER 113 CO 0.39 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.33 1x3d n GLY 114 N 2.99 0.14 3.48 9.45 0.00 -1.26 -5.14 105.19 114.85 1x3d n GLY 114 Ca -0.13 -1.51 -0.30 0.00 0.00 0.00 0.00 46.02 44.08 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 -3.14 -2.53 1.61 -0.04 -1.26 -5.06 135.00 124.57 1x3d n PRO 115 Ca 0.00 -1.74 -0.22 0.00 -0.04 0.00 0.00 63.50 61.50 1x3d n PRO 115 Cb 0.00 -1.63 0.04 0.00 -0.04 0.00 0.00 33.50 31.88 1x3d n PRO 115 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x3d s SER 116 N -4.43 5.17 0.18 3.54 0.01 -1.26 -4.97 113.70 111.94 1x3d s SER 116 Ca 0.71 0.12 0.22 0.00 1.31 0.00 0.00 55.95 58.30 1x3d s SER 116 Cb -0.07 -0.95 0.89 0.00 0.21 0.00 0.00 66.02 66.10 1x3d s SER 116 CO 0.54 -1.25 1.67 -1.54 0.41 0.00 0.00 173.24 173.07 1x3d n SER 117 N -2.49 0.50 0.00 2.44 3.41 -1.26 -5.30 113.62 110.93 1x3d n SER 117 Ca 0.08 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.30 1x3d n SER 117 Cb 0.60 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 1x3d n SER 117 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49