#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 -0.23 0.91 1.61 0.15 -1.26 -5.18 113.70 109.70 1x3d s SER 2 Ca 0.00 -0.65 -0.14 0.00 0.70 0.00 0.00 55.95 55.86 1x3d s SER 2 Cb 0.00 0.68 0.15 0.00 -1.71 0.00 0.00 66.02 65.13 1x3d s SER 2 CO 0.00 -1.25 1.22 -0.55 1.20 0.00 0.00 173.24 173.85 1x3d s SER 3 N -2.93 3.60 0.71 5.45 0.15 -1.26 -5.00 113.70 114.42 1x3d s SER 3 Ca 0.13 0.62 -0.16 0.00 0.70 0.00 0.00 55.95 57.24 1x3d s SER 3 Cb -0.04 -0.96 -0.04 0.00 -1.71 0.00 0.00 66.02 63.27 1x3d s SER 3 CO 0.06 -2.46 0.56 0.61 1.20 0.00 0.00 173.24 173.21 1x3d n GLY 4 N -3.12 -1.45 3.59 9.45 0.00 -1.26 -4.96 105.19 107.44 1x3d n GLY 4 Ca 0.11 -0.36 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.45 5.69 0.04 1.61 0.01 -1.26 -5.08 113.70 113.26 1x3d s SER 5 Ca 0.66 0.01 -0.29 0.00 1.31 0.00 0.00 55.95 57.64 1x3d s SER 5 Cb -0.36 -2.01 -0.04 0.00 0.21 0.00 0.00 66.02 63.82 1x3d s SER 5 CO 0.57 0.07 0.92 -0.55 0.41 0.00 0.00 173.24 174.66 1x3d s SER 6 N 1.04 7.36 0.67 2.44 0.15 -1.26 -5.03 113.70 119.07 1x3d s SER 6 Ca 0.05 1.64 -0.14 0.00 0.70 0.00 0.00 55.95 58.20 1x3d s SER 6 Cb -0.14 -2.55 0.01 0.00 -1.71 0.00 0.00 66.02 61.63 1x3d s SER 6 CO 0.04 -0.14 1.10 -0.83 1.20 0.00 0.00 173.24 174.61 1x3d s GLY 7 N 0.49 2.07 -0.14 9.45 0.00 -1.26 -5.01 107.32 112.92 1x3d s GLY 7 Ca 0.47 0.48 -0.13 0.00 0.00 0.00 0.00 44.72 45.55 1x3d s GLY 7 CO 0.27 0.83 -0.25 0.00 0.00 0.00 0.00 173.10 173.95 1x3d n ALA 8 N -2.58 0.63 -4.21 3.20 0.00 -1.26 -4.98 120.51 111.31 1x3d n ALA 8 Ca 0.10 -0.63 -0.33 0.00 0.00 0.00 0.00 53.44 52.58 1x3d n ALA 8 Cb 0.52 0.02 -0.05 0.00 0.00 0.00 0.00 19.45 19.95 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 -4.14 -2.39 -2.87 0.00 -0.58 -1.26 -4.91 120.64 104.48 1x3d n GLU 9 Ca -0.10 0.29 -0.32 0.00 -0.42 0.00 0.00 57.16 56.61 1x3d n GLU 9 Cb 0.37 -4.56 -0.05 0.00 -0.57 0.00 0.00 31.44 26.63 1x3d n GLU 9 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 1x3d s ILE 10 N -3.71 4.60 -1.57 -3.67 -4.36 -1.26 -3.98 121.20 107.25 1x3d s ILE 10 Ca 0.39 1.07 -0.12 0.00 -0.26 0.00 0.00 60.65 61.72 1x3d s ILE 10 Cb -0.21 -3.65 0.09 0.00 1.25 0.00 0.00 42.46 39.94 1x3d s ILE 10 CO 0.95 -0.37 0.75 0.33 0.24 0.00 0.00 174.94 176.83 1x3d n PHE 11 N -0.83 -1.88 -1.66 1.37 7.35 -1.26 -4.79 117.46 115.76 1x3d n PHE 11 Ca 0.05 0.82 -0.53 0.00 -0.76 0.00 0.00 57.45 57.03 1x3d n PHE 11 Cb 0.54 -3.48 -0.06 0.00 0.35 0.00 0.00 39.48 36.83 1x3d n PHE 11 CO 0.00 0.00 0.00 -2.37 -0.76 0.00 0.00 176.76 173.63 1x3d n THR 12 N -4.46 0.22 -4.09 -2.13 5.66 -1.26 -4.97 114.28 103.25 1x3d n THR 12 Ca -0.04 -0.04 -0.14 0.00 -3.05 0.00 0.00 64.05 60.78 1x3d n THR 12 Cb 0.56 -1.25 -0.12 0.00 -1.55 0.00 0.00 70.33 67.96 1x3d n THR 12 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1x3d s THR 13 N 2.32 0.50 -0.62 1.09 -4.23 -1.26 -5.06 115.64 108.38 1x3d s THR 13 Ca 0.90 -0.82 0.01 0.00 -1.18 0.00 0.00 61.69 60.61 1x3d s THR 13 Cb -0.92 -0.53 0.40 0.00 1.34 0.00 0.00 72.50 72.79 1x3d s THR 13 CO 0.54 -0.23 1.61 0.18 -0.54 0.00 0.00 174.62 176.18 1x3d n LEU 14 N 1.92 6.26 -4.04 4.79 7.99 -1.26 -4.93 117.00 127.73 1x3d n LEU 14 Ca -0.20 -4.91 -0.31 0.00 -0.01 0.00 0.00 56.01 50.58 1x3d n LEU 14 Cb 0.56 -0.76 -0.15 0.00 -0.11 0.00 0.00 43.42 42.95 1x3d n LEU 14 CO 0.22 1.94 -0.38 -0.44 -1.51 0.00 0.00 177.39 177.22 1x3d s SER 15 N -2.32 4.65 0.30 -1.43 0.01 -1.26 -4.72 113.70 108.93 1x3d s SER 15 Ca 0.52 -1.87 -0.19 0.00 1.31 0.00 0.00 55.95 55.72 1x3d s SER 15 Cb 0.43 -1.60 0.05 0.00 0.21 0.00 0.00 66.02 65.11 1x3d s SER 15 CO -0.25 -0.31 0.82 0.00 0.41 0.00 0.00 173.24 173.91 1x3d s GLU 17 N -2.89 2.41 1.23 0.00 -1.05 -1.26 -4.83 118.70 112.31 1x3d s GLU 17 Ca 0.14 1.85 -0.20 0.00 -0.15 0.00 0.00 54.97 56.61 1x3d s GLU 17 Cb -0.05 -1.86 0.30 0.00 -0.44 0.00 0.00 34.13 32.09 1x3d s GLU 17 CO 0.08 -1.65 1.11 -1.25 0.95 0.00 0.00 175.26 174.51 1x3d s PRO 18 N -3.66 -1.47 0.84 -4.83 0.04 -1.26 -4.93 135.00 119.72 1x3d s PRO 18 Ca 0.77 -0.16 -0.12 0.00 0.04 0.00 0.00 61.00 61.53 1x3d s PRO 18 Cb -0.31 -1.58 0.10 0.00 0.04 0.00 0.00 34.50 32.75 1x3d s PRO 18 CO 0.41 -3.86 1.16 0.34 0.04 0.00 0.00 177.00 175.09 1x3d s ASP 19 N -3.97 4.21 -0.32 6.66 2.15 -1.26 -4.62 116.67 119.52 1x3d s ASP 19 Ca 0.72 0.88 -0.22 0.00 0.43 0.00 0.00 52.55 54.36 1x3d s ASP 19 Cb -0.08 -1.43 -0.00 0.00 -0.30 0.00 0.00 42.92 41.11 1x3d s ASP 19 CO 0.56 -2.10 0.72 -0.63 -0.17 0.00 0.00 175.17 173.54 1x3d s ILE 20 N -3.45 4.84 0.62 4.11 1.01 -1.26 -4.70 121.20 122.38 1x3d s ILE 20 Ca 0.62 0.96 -0.16 0.00 0.00 0.00 0.00 60.65 62.07 1x3d s ILE 20 Cb -0.12 -4.10 -0.02 0.00 0.01 0.00 0.00 42.46 38.23 1x3d s ILE 20 CO 0.51 -0.25 1.12 -2.16 0.00 0.00 0.00 174.94 174.15 1x3d s PRO 21 N 2.84 2.98 0.85 2.79 0.04 -1.26 -4.94 135.00 138.30 1x3d s PRO 21 Ca 0.29 1.46 -0.11 0.00 0.04 0.00 0.00 61.00 62.68 1x3d s PRO 21 Cb -0.14 -1.97 0.11 0.00 0.04 0.00 0.00 34.50 32.54 1x3d s PRO 21 CO 0.13 -1.12 1.16 0.54 0.04 0.00 0.00 177.00 177.75 1x3d s ASN 22 N -2.33 3.39 0.41 6.66 2.20 -1.26 -4.30 114.94 119.71 1x3d s ASN 22 Ca 0.69 2.20 -0.25 0.00 -0.94 0.00 0.00 52.86 54.55 1x3d s ASN 22 Cb -0.22 -2.57 -0.08 0.00 -2.00 0.00 0.00 41.25 36.38 1x3d s ASN 22 CO 0.37 -2.79 1.18 -2.16 -2.94 0.00 0.00 177.10 170.76 1x3d s PRO 23 N -4.50 3.99 0.39 3.55 0.04 -1.26 -4.81 135.00 132.40 1x3d s PRO 23 Ca 0.68 1.86 -0.26 0.00 0.04 0.00 0.00 61.00 63.33 1x3d s PRO 23 Cb -0.24 -2.64 -0.09 0.00 0.04 0.00 0.00 34.50 31.58 1x3d s PRO 23 CO 0.55 -0.38 1.19 -1.25 0.04 0.00 0.00 177.00 177.15 1x3d s PRO 24 N -2.36 4.07 0.46 0.56 0.04 -1.26 -4.94 135.00 131.57 1x3d s PRO 24 Ca 0.58 1.90 0.07 0.00 0.04 0.00 0.00 61.00 63.59 1x3d s PRO 24 Cb -0.31 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.51 1x3d s PRO 24 CO 0.39 -0.32 0.42 -0.98 0.04 0.00 0.00 177.00 176.55 1x3d s ARG 25 N -2.24 2.44 -0.21 4.56 1.70 0.43 -4.86 118.95 120.78 1x3d s ARG 25 Ca 0.56 -1.66 -0.10 0.00 -0.47 0.00 0.00 55.73 54.06 1x3d s ARG 25 Cb -0.32 -2.33 -0.05 0.00 -0.57 0.00 0.00 34.95 31.68 1x3d s ARG 25 CO 0.41 -0.35 0.15 0.42 -1.08 0.00 0.00 175.30 174.84 1x3d s ILE 26 N -2.56 5.39 -0.10 4.99 -1.09 -1.26 -0.46 121.20 126.10 1x3d s ILE 26 Ca 0.46 0.20 0.06 0.00 -2.23 0.00 0.00 60.65 59.14 1x3d s ILE 26 Cb -0.03 -3.49 -0.08 0.00 -1.58 0.00 0.00 42.46 37.28 1x3d s ILE 26 CO 0.27 0.41 0.17 0.00 -1.23 0.00 0.00 174.94 174.56 1x3d n ALA 27 N 3.78 2.41 -3.20 9.38 0.00 -0.93 -4.94 120.51 127.01 1x3d n ALA 27 Ca -0.15 -0.15 0.04 0.00 0.00 0.00 0.00 53.44 53.18 1x3d n ALA 27 Cb 0.52 -0.20 -0.03 0.00 0.00 0.00 0.00 19.45 19.74 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 -2.27 -0.28 -0.03 0.00 3.84 -1.23 -5.03 114.94 109.94 1x3d s ASN 28 Ca -0.01 0.26 0.03 0.00 0.21 0.00 0.00 52.86 53.35 1x3d s ASN 28 Cb 0.04 1.27 0.00 0.00 -0.55 0.00 0.00 41.25 42.02 1x3d s ASN 28 CO 0.24 -0.05 -0.09 0.00 -2.79 0.00 0.00 177.10 174.40 1x3d s ARG 29 N 2.63 1.02 0.52 0.43 1.70 -1.26 0.10 118.95 124.09 1x3d s ARG 29 Ca -0.03 -0.32 0.01 0.00 -0.47 0.00 0.00 55.73 54.92 1x3d s ARG 29 Cb -0.06 -0.94 -0.00 0.00 -0.57 0.00 0.00 34.95 33.37 1x3d s ARG 29 CO -0.13 0.12 0.06 0.95 -1.08 0.00 0.00 175.30 175.22 1x3d s THR 30 N 0.20 1.17 0.24 4.99 -4.23 -0.91 -4.49 115.64 112.61 1x3d s THR 30 Ca -0.03 -1.93 -0.05 0.00 -1.18 0.00 0.00 61.69 58.49 1x3d s THR 30 Cb -0.09 -2.10 0.20 0.00 1.34 0.00 0.00 72.50 71.85 1x3d s THR 30 CO 0.01 0.00 1.81 0.11 -0.54 0.00 0.00 174.62 176.01 1x3d h LYS 31 N 1.24 0.75 -1.41 3.99 1.57 -1.93 -2.94 116.57 117.84 1x3d h LYS 31 Ca -0.43 -0.05 -0.56 0.00 -1.87 0.00 0.00 60.65 57.75 1x3d h LYS 31 Cb 1.32 -0.17 -0.42 0.00 0.08 0.00 0.00 32.23 33.04 1x3d h LYS 31 CO 0.71 0.50 -0.79 0.09 -0.57 0.00 0.00 179.45 179.39 1x3d n ASN 32 N -4.75 4.31 -3.63 0.86 4.13 -1.26 -0.40 115.26 114.52 1x3d n ASN 32 Ca 0.12 -3.59 -0.03 0.00 1.68 0.00 0.00 54.58 52.76 1x3d n ASN 32 Cb 0.25 -0.46 -0.01 0.00 -1.54 0.00 0.00 39.78 38.01 1x3d n ASN 32 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1x3d s SER 33 N -3.49 -0.17 -0.30 6.41 0.15 -1.11 -2.38 113.70 112.80 1x3d s SER 33 Ca 0.45 -0.17 -0.08 0.00 0.70 0.00 0.00 55.95 56.86 1x3d s SER 33 Cb 0.41 0.31 0.15 0.00 -1.71 0.00 0.00 66.02 65.17 1x3d s SER 33 CO -0.15 -0.55 0.64 -0.76 1.20 0.00 0.00 173.24 173.62 1x3d s LEU 34 N -2.72 -1.21 -0.26 3.45 1.43 -0.31 -2.15 118.68 116.91 1x3d s LEU 34 Ca 0.11 1.38 -0.08 0.00 -1.03 0.00 0.00 54.13 54.50 1x3d s LEU 34 Cb 0.01 2.26 -0.03 0.00 0.03 0.00 0.00 46.19 48.46 1x3d s LEU 34 CO -0.03 -0.23 0.10 -0.89 0.23 0.00 0.00 176.35 175.52 1x3d s THR 35 N 2.89 4.50 -0.04 5.49 2.01 0.28 -0.76 115.64 130.02 1x3d s THR 35 Ca 0.02 -0.13 0.05 0.00 0.31 0.00 0.00 61.69 61.94 1x3d s THR 35 Cb -0.13 -3.13 -0.02 0.00 0.01 0.00 0.00 72.50 69.23 1x3d s THR 35 CO -0.20 0.31 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.09 1x3d s LEU 36 N 1.64 2.45 0.03 4.42 1.43 -1.12 -2.18 118.68 125.35 1x3d s LEU 36 Ca 0.06 -0.31 0.06 0.00 -1.03 0.00 0.00 54.13 52.91 1x3d s LEU 36 Cb -0.15 -1.46 -0.02 0.00 0.03 0.00 0.00 46.19 44.58 1x3d s LEU 36 CO 0.05 0.33 -0.18 -1.10 0.23 0.00 0.00 176.35 175.68 1x3d s GLN 37 N -0.67 1.26 0.31 1.70 -0.21 0.39 -2.66 119.66 119.78 1x3d s GLN 37 Ca 0.11 -0.83 -0.02 0.00 0.02 0.00 0.00 55.36 54.65 1x3d s GLN 37 Cb -0.10 -1.32 -0.01 0.00 1.00 0.00 0.00 33.01 32.58 1x3d s GLN 37 CO -0.00 0.34 0.39 1.67 -2.12 0.00 0.00 175.29 175.57 1x3d s TRP 38 N -0.73 1.13 0.47 0.91 -2.14 -1.14 -0.43 118.94 117.02 1x3d s TRP 38 Ca 0.06 -1.31 0.04 0.00 2.66 0.00 0.00 56.10 57.54 1x3d s TRP 38 Cb -0.08 -0.24 -0.04 0.00 -3.10 0.00 0.00 33.47 30.02 1x3d s TRP 38 CO 0.01 -1.01 0.05 0.15 -2.66 0.00 0.00 176.95 173.50 1x3d s LYS 39 N -3.37 2.12 -0.23 3.25 1.02 -1.26 -4.83 119.74 116.43 1x3d s LYS 39 Ca 0.33 -2.21 -0.11 0.00 0.02 0.00 0.00 55.97 54.00 1x3d s LYS 39 Cb 0.01 -1.66 -0.05 0.00 -0.52 0.00 0.00 37.83 35.61 1x3d s LYS 39 CO 0.19 -0.24 0.18 0.00 -0.92 0.00 0.00 175.35 174.56 1x3d s ALA 40 N -2.78 3.61 1.08 5.17 0.00 -1.26 -4.87 121.76 122.71 1x3d s ALA 40 Ca 0.22 -0.83 -0.07 0.00 0.00 0.00 0.00 51.96 51.28 1x3d s ALA 40 Cb 0.05 -2.33 0.10 0.00 0.00 0.00 0.00 23.12 20.93 1x3d s ALA 40 CO 0.12 -0.16 0.35 -0.35 0.00 0.00 0.00 175.76 175.71 1x3d n PRO 41 N 4.21 -1.70 -3.30 0.00 -0.04 -1.26 -4.99 135.00 127.92 1x3d n PRO 41 Ca -0.15 -0.56 -0.42 0.00 -0.04 0.00 0.00 63.50 62.33 1x3d n PRO 41 Cb 0.52 -0.52 -0.08 0.00 -0.04 0.00 0.00 33.50 33.37 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 -2.45 6.22 -0.62 3.54 0.01 -1.26 -5.01 113.70 114.13 1x3d s SER 42 Ca 0.23 -0.49 -0.27 0.00 1.31 0.00 0.00 55.95 56.73 1x3d s SER 42 Cb -0.02 -2.24 -0.01 0.00 0.21 0.00 0.00 66.02 63.96 1x3d s SER 42 CO 0.17 -0.55 1.77 1.51 0.41 0.00 0.00 173.24 176.55 1x3d s ASP 43 N 1.81 5.43 -0.94 2.44 -4.77 -1.26 -4.24 116.67 115.14 1x3d s ASP 43 Ca 0.14 0.26 -0.16 0.00 -3.30 0.00 0.00 52.55 49.49 1x3d s ASP 43 Cb -0.16 -2.53 0.18 0.00 -1.09 0.00 0.00 42.92 39.31 1x3d s ASP 43 CO 0.14 -2.27 1.03 0.20 0.70 0.00 0.00 175.17 174.97 1x3d s ASN 44 N 7.37 6.78 0.00 2.11 0.01 -1.26 -4.51 114.94 125.44 1x3d s ASN 44 Ca 0.63 -2.51 0.00 0.00 -0.71 0.00 0.00 52.86 50.27 1x3d s ASN 44 Cb -0.12 -2.32 0.00 0.00 0.41 0.00 0.00 41.25 39.22 1x3d s ASN 44 CO 0.20 -0.79 0.00 0.61 -1.51 0.00 0.00 177.10 175.61 1x3d n GLY 45 N 4.57 2.47 2.96 0.66 0.00 -1.26 -4.68 105.19 109.90 1x3d n GLY 45 Ca 0.22 -0.61 -0.18 0.00 0.00 0.00 0.00 46.02 45.45 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 0.80 -0.01 1.61 0.15 -1.26 -5.09 113.70 109.90 1x3d s SER 46 Ca 0.00 -0.12 -0.34 0.00 0.70 0.00 0.00 55.95 56.19 1x3d s SER 46 Cb 0.00 -0.18 -0.13 0.00 -1.71 0.00 0.00 66.02 64.01 1x3d s SER 46 CO 0.00 0.05 1.75 2.29 1.20 0.00 0.00 173.24 178.53 1x3d n LYS 47 N 3.21 2.07 -1.63 5.44 2.85 -1.26 -4.83 118.16 124.02 1x3d n LYS 47 Ca -0.16 0.75 -0.48 0.00 -1.05 0.00 0.00 58.31 57.37 1x3d n LYS 47 Cb 0.56 -2.56 -0.04 0.00 -0.65 0.00 0.00 35.03 32.34 1x3d n LYS 47 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1x3d n ILE 48 N 4.43 0.46 0.14 0.58 5.41 -1.26 -4.55 119.36 124.55 1x3d n ILE 48 Ca 0.21 -0.11 -0.06 0.00 1.00 0.00 0.00 62.75 63.78 1x3d n ILE 48 Cb 0.28 -1.16 -0.03 0.00 -0.71 0.00 0.00 39.64 38.02 1x3d n ILE 48 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1x3d h GLN 49 N 4.50 -0.38 -3.78 0.38 4.20 -1.51 -3.48 115.11 115.04 1x3d h GLN 49 Ca -0.45 0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.18 1x3d h GLN 49 Cb 1.30 0.09 -0.09 0.00 0.30 0.00 0.00 27.48 29.08 1x3d h GLN 49 CO 0.78 -0.26 -0.16 0.54 -0.67 0.00 0.00 178.83 179.07 1x3d s ASN 50 N -4.26 0.10 -0.18 1.46 6.03 -1.19 -4.92 114.94 111.97 1x3d s ASN 50 Ca -0.06 -1.07 -0.11 0.00 -1.03 0.00 0.00 52.86 50.59 1x3d s ASN 50 Cb 0.01 0.59 -0.05 0.00 -3.03 0.00 0.00 41.25 38.77 1x3d s ASN 50 CO 0.17 -1.16 0.19 -0.36 -2.03 0.00 0.00 177.10 173.91 1x3d s PHE 51 N -3.80 3.43 -0.36 1.54 0.08 -0.41 -3.07 117.98 115.39 1x3d s PHE 51 Ca 0.25 0.42 -0.09 0.00 0.12 0.00 0.00 56.93 57.63 1x3d s PHE 51 Cb -0.00 -2.22 0.03 0.00 -0.57 0.00 0.00 43.02 40.26 1x3d s PHE 51 CO 0.11 0.28 0.17 0.08 -0.10 0.00 0.00 175.22 175.77 1x3d s VAL 52 N 0.37 4.32 0.18 -0.44 1.01 -0.71 -2.82 120.40 122.30 1x3d s VAL 52 Ca 0.11 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.18 1x3d s VAL 52 Cb -0.12 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 1x3d s VAL 52 CO 0.00 -0.21 0.30 -0.22 0.00 0.00 0.00 175.10 174.97 1x3d s LEU 53 N 1.51 4.32 0.03 3.92 2.96 -0.51 -2.77 118.68 128.13 1x3d s LEU 53 Ca 0.01 0.13 -0.17 0.00 -0.22 0.00 0.00 54.13 53.88 1x3d s LEU 53 Cb -0.19 -2.88 0.03 0.00 0.50 0.00 0.00 46.19 43.65 1x3d s LEU 53 CO 0.05 0.01 0.37 -1.61 -1.32 0.00 0.00 176.35 173.86 1x3d s GLU 54 N -3.48 0.84 0.11 1.98 2.02 -1.07 -0.96 118.70 118.15 1x3d s GLU 54 Ca 0.34 -0.34 -0.19 0.00 0.02 0.00 0.00 54.97 54.80 1x3d s GLU 54 Cb -0.10 0.37 0.05 0.00 0.10 0.00 0.00 34.13 34.55 1x3d s GLU 54 CO 0.29 -0.27 0.48 1.67 0.02 0.00 0.00 175.26 177.44 1x3d s TRP 55 N -2.18 -0.34 -0.31 1.61 1.48 -1.18 -1.92 118.94 116.10 1x3d s TRP 55 Ca -0.07 0.14 -0.00 0.00 -1.06 0.00 0.00 56.10 55.11 1x3d s TRP 55 Cb -0.02 0.35 0.27 0.00 -1.16 0.00 0.00 33.47 32.91 1x3d s TRP 55 CO -0.01 -0.72 1.86 -0.25 -4.06 0.00 0.00 176.95 173.77 1x3d n ASP 56 N -0.10 5.62 -2.59 -2.66 8.00 -1.11 -3.23 116.55 120.49 1x3d n ASP 56 Ca -0.17 -3.04 -0.11 0.00 0.71 0.00 0.00 54.79 52.19 1x3d n ASP 56 Cb 0.63 -0.94 -0.02 0.00 -0.02 0.00 0.00 41.12 40.77 1x3d n ASP 56 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1x3d n GLU 57 N 0.07 -1.94 -4.40 -1.24 1.02 -1.26 0.06 120.64 112.95 1x3d n GLU 57 Ca 0.32 0.03 -0.36 0.00 -0.02 0.00 0.00 57.16 57.13 1x3d n GLU 57 Cb 0.74 -3.44 -0.08 0.00 -0.02 0.00 0.00 31.44 28.64 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 -0.55 -0.26 0.11 0.62 0.00 -1.26 -4.83 105.19 99.01 1x3d n GLY 58 Ca 0.03 0.13 -0.19 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 -4.34 0.55 0.00 1.61 5.02 0.11 -4.71 118.16 116.40 1x3d n LYS 59 Ca -0.11 0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 1x3d n LYS 59 Cb 0.58 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 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 1.38 0.65 0.00 0.72 0.00 -1.26 -5.05 105.19 101.63 1x3d n GLY 60 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 3.91 0.00 1.61 0.23 -1.26 -5.05 115.26 114.70 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 0.26 0.00 0.00 -2.08 0.00 0.00 39.78 37.96 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 2.85 1.87 3.44 4.83 0.00 -1.26 -5.12 105.19 111.79 1x3d n GLY 62 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1x3d n GLY 62 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x3d s GLU 63 N -0.40 2.23 -0.08 1.61 -1.05 -1.26 -5.13 118.70 114.62 1x3d s GLU 63 Ca 0.00 -0.87 0.02 0.00 -0.15 0.00 0.00 54.97 53.97 1x3d s GLU 63 Cb 0.00 -2.23 0.01 0.00 -0.44 0.00 0.00 34.13 31.48 1x3d s GLU 63 CO 0.00 0.57 -0.14 -0.06 0.95 0.00 0.00 175.26 176.59 1x3d s PHE 64 N -0.80 1.66 0.09 4.83 0.40 -1.26 -3.77 117.98 119.13 1x3d s PHE 64 Ca 0.13 -0.67 0.05 0.00 -0.60 0.00 0.00 56.93 55.84 1x3d s PHE 64 Cb -0.10 -1.21 -0.03 0.00 0.51 0.00 0.00 43.02 42.19 1x3d s PHE 64 CO 0.02 -0.34 -0.12 0.00 0.70 0.00 0.00 175.22 175.48 1x3d n GLN 66 N 0.83 1.19 -0.10 0.00 7.27 -1.26 -3.10 117.38 122.20 1x3d n GLN 66 Ca -0.18 0.38 -0.18 0.00 0.07 0.00 0.00 57.00 57.10 1x3d n GLN 66 Cb 0.56 -2.33 -0.07 0.00 2.41 0.00 0.00 30.24 30.82 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 -2.52 0.05 -0.25 0.00 5.04 -1.24 -5.02 117.35 113.41 1x3d s TYR 68 Ca -0.29 0.26 0.01 0.00 -2.44 0.00 0.00 57.07 54.61 1x3d s TYR 68 Cb 0.07 -0.47 0.07 0.00 0.35 0.00 0.00 41.96 41.98 1x3d s TYR 68 CO 0.44 -0.21 -0.03 1.41 -1.34 0.00 0.00 175.55 175.82 1x3d s MET 69 N 2.18 1.53 0.00 4.97 -2.45 -1.26 -1.43 119.30 122.84 1x3d s MET 69 Ca 0.05 -1.09 0.00 0.00 -1.25 0.00 0.00 55.69 53.40 1x3d s MET 69 Cb -0.12 -2.60 0.00 0.00 1.25 0.00 0.00 34.83 33.36 1x3d s MET 69 CO -0.04 -0.67 0.00 0.41 1.05 0.00 0.00 175.02 175.78 1x3d n GLY 70 N 4.64 3.27 0.10 2.11 0.00 -1.13 -4.97 105.19 109.22 1x3d n GLY 70 Ca -0.09 -0.11 -0.06 0.00 0.00 0.00 0.00 46.02 45.76 1x3d n GLY 70 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x3d n SER 71 N 0.00 3.10 -4.40 1.61 2.88 -1.26 -1.29 113.62 114.26 1x3d n SER 71 Ca 0.00 -0.03 -0.37 0.00 -1.33 0.00 0.00 58.87 57.13 1x3d n SER 71 Cb 0.00 -0.15 0.04 0.00 -0.75 0.00 0.00 64.21 63.36 1x3d n SER 71 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x3d n GLN 72 N -2.81 0.32 -0.00 -1.46 6.02 -1.26 -4.79 117.38 113.40 1x3d n GLN 72 Ca -0.15 0.13 0.10 0.00 -0.01 0.00 0.00 57.00 57.07 1x3d n GLN 72 Cb 0.66 -1.59 -0.13 0.00 1.02 0.00 0.00 30.24 30.19 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 0.10 0.47 -4.93 -1.09 5.02 -1.26 -4.88 118.16 111.58 1x3d n LYS 73 Ca 0.10 -0.08 -0.32 0.00 -2.02 0.00 0.00 58.31 55.99 1x3d n LYS 73 Cb 0.49 -1.47 -0.17 0.00 -0.02 0.00 0.00 35.03 33.86 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 -3.12 3.04 -0.07 1.97 -0.44 -1.26 -2.87 119.66 116.91 1x3d s GLN 74 Ca 0.01 -0.87 0.00 0.00 -2.50 0.00 0.00 55.36 52.01 1x3d s GLN 74 Cb 0.14 -2.37 0.02 0.00 -1.64 0.00 0.00 33.01 29.16 1x3d s GLN 74 CO 0.84 0.08 -0.06 0.12 0.50 0.00 0.00 175.29 176.77 1x3d s PHE 75 N 0.58 1.06 -0.39 1.67 5.36 -1.09 -5.02 117.98 120.16 1x3d s PHE 75 Ca -0.13 -0.40 -0.14 0.00 -0.96 0.00 0.00 56.93 55.31 1x3d s PHE 75 Cb -0.17 -0.92 0.02 0.00 -0.34 0.00 0.00 43.02 41.61 1x3d s PHE 75 CO 0.03 -0.32 0.27 0.21 -1.46 0.00 0.00 175.22 173.95 1x3d s LYS 76 N 1.29 3.01 -0.53 10.12 2.20 -1.26 -2.79 119.74 131.79 1x3d s LYS 76 Ca -0.04 -0.98 -0.23 0.00 -0.36 0.00 0.00 55.97 54.36 1x3d s LYS 76 Cb -0.14 -3.89 0.05 0.00 -1.51 0.00 0.00 37.83 32.34 1x3d s LYS 76 CO -0.02 -0.69 0.84 0.42 -0.36 0.00 0.00 175.35 175.53 1x3d s ILE 77 N 1.65 4.55 0.48 5.43 1.01 0.06 -4.89 121.20 129.49 1x3d s ILE 77 Ca 0.04 0.05 0.01 0.00 0.00 0.00 0.00 60.65 60.75 1x3d s ILE 77 Cb -0.19 -4.46 0.09 0.00 0.01 0.00 0.00 42.46 37.92 1x3d s ILE 77 CO 0.09 -1.00 0.66 0.35 0.00 0.00 0.00 174.94 175.04 1x3d n THR 78 N 6.01 0.00 -3.27 2.92 -2.24 -1.26 -1.16 114.28 115.28 1x3d n THR 78 Ca -0.01 -1.11 -0.16 0.00 -2.27 0.00 0.00 64.05 60.50 1x3d n THR 78 Cb 0.47 -0.98 0.07 0.00 -2.10 0.00 0.00 70.33 67.79 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 -2.19 -5.94 -3.18 -0.78 5.02 -1.00 -4.86 118.16 105.23 1x3d n LYS 79 Ca 0.11 0.71 -0.16 0.00 -2.02 0.00 0.00 58.31 56.95 1x3d n LYS 79 Cb 0.40 -5.33 -0.02 0.00 -0.02 0.00 0.00 35.03 30.06 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 -3.84 0.00 -4.19 -0.35 4.77 -1.04 -4.97 117.00 107.37 1x3d n LEU 80 Ca -0.16 -1.61 -0.18 0.00 -0.03 0.00 0.00 56.01 54.02 1x3d n LEU 80 Cb 0.61 0.12 -0.12 0.00 -2.33 0.00 0.00 43.42 41.71 1x3d n LEU 80 CO 0.52 -0.30 -0.46 -0.44 -1.33 0.00 0.00 177.39 175.39 1x3d s SER 81 N -2.53 1.76 0.49 -1.43 0.01 -1.22 -4.07 113.70 106.70 1x3d s SER 81 Ca 0.05 -0.67 -0.22 0.00 1.31 0.00 0.00 55.95 56.43 1x3d s SER 81 Cb -0.00 -0.05 -0.07 0.00 0.21 0.00 0.00 66.02 66.10 1x3d s SER 81 CO 0.03 -0.10 1.15 -2.16 0.41 0.00 0.00 173.24 172.58 1x3d s PRO 82 N -1.99 3.62 -1.12 12.44 0.04 0.47 -3.70 135.00 144.75 1x3d s PRO 82 Ca 0.01 1.72 -0.02 0.00 0.04 0.00 0.00 61.00 62.74 1x3d s PRO 82 Cb -0.09 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 32.19 1x3d s PRO 82 CO 0.02 -0.65 0.95 0.00 0.04 0.00 0.00 177.00 177.36 1x3d n ALA 83 N -0.76 -1.63 -3.85 8.56 0.00 -1.26 -4.81 120.51 116.76 1x3d n ALA 83 Ca 0.09 0.07 -0.30 0.00 0.00 0.00 0.00 53.44 53.30 1x3d n ALA 83 Cb 0.49 -3.05 -0.14 0.00 0.00 0.00 0.00 19.45 16.75 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 -5.51 1.56 -0.07 0.00 0.00 -1.24 -4.96 119.30 109.09 1x3d s MET 84 Ca 0.15 -2.19 -0.30 0.00 0.00 0.00 0.00 55.69 53.35 1x3d s MET 84 Cb -0.07 -2.83 -0.08 0.00 0.00 0.00 0.00 34.83 31.85 1x3d s MET 84 CO 0.66 -1.10 2.06 0.41 0.00 0.00 0.00 175.02 177.04 1x3d n GLY 85 N 3.52 1.51 3.03 2.11 0.00 -1.26 -3.98 105.19 110.13 1x3d n GLY 85 Ca 0.06 0.82 -0.23 0.00 0.00 0.00 0.00 46.02 46.66 1x3d n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x3d s LYS 87 N 0.38 3.53 0.12 0.00 1.02 -1.26 -1.45 119.74 122.07 1x3d s LYS 87 Ca -0.08 -0.32 -0.02 0.00 0.02 0.00 0.00 55.97 55.57 1x3d s LYS 87 Cb -0.12 -2.82 -0.04 0.00 -0.52 0.00 0.00 37.83 34.33 1x3d s LYS 87 CO 0.02 0.38 0.06 -0.06 -0.92 0.00 0.00 175.35 174.83 1x3d s PHE 88 N -1.90 0.78 -0.21 3.18 0.40 -0.24 -2.73 117.98 117.25 1x3d s PHE 88 Ca 0.39 -1.18 -0.19 0.00 -0.60 0.00 0.00 56.93 55.35 1x3d s PHE 88 Cb -0.11 -0.44 0.06 0.00 0.51 0.00 0.00 43.02 43.04 1x3d s PHE 88 CO 0.29 -0.51 0.56 -0.98 0.70 0.00 0.00 175.22 175.28 1x3d s ARG 89 N -4.02 0.65 -0.01 0.44 1.70 -0.81 -2.05 118.95 114.84 1x3d s ARG 89 Ca 0.21 0.79 0.04 0.00 -0.47 0.00 0.00 55.73 56.30 1x3d s ARG 89 Cb 0.07 0.31 -0.03 0.00 -0.57 0.00 0.00 34.95 34.73 1x3d s ARG 89 CO -0.00 -0.08 -0.11 -1.17 -1.08 0.00 0.00 175.30 172.86 1x3d s LEU 90 N 0.35 2.93 -0.09 -1.89 2.96 -1.26 -2.60 118.68 119.08 1x3d s LEU 90 Ca -0.00 -0.20 -0.16 0.00 -0.22 0.00 0.00 54.13 53.55 1x3d s LEU 90 Cb -0.04 -1.66 0.04 0.00 0.50 0.00 0.00 46.19 45.02 1x3d s LEU 90 CO -0.00 0.31 0.39 -0.94 -1.32 0.00 0.00 176.35 174.78 1x3d s SER 91 N -1.15 -0.35 -0.21 3.68 1.04 -1.11 -0.39 113.70 115.21 1x3d s SER 91 Ca 0.14 0.53 -0.08 0.00 0.48 0.00 0.00 55.95 57.02 1x3d s SER 91 Cb -0.11 0.61 -0.04 0.00 0.10 0.00 0.00 66.02 66.58 1x3d s SER 91 CO 0.04 -0.29 0.09 0.00 0.98 0.00 0.00 173.24 174.06 1x3d s ALA 92 N -0.48 3.43 -0.14 5.32 0.00 -1.26 -1.74 121.76 126.89 1x3d s ALA 92 Ca -0.06 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.09 1x3d s ALA 92 Cb -0.04 -2.05 0.01 0.00 0.00 0.00 0.00 23.12 21.04 1x3d s ALA 92 CO 0.03 -0.00 -0.20 0.50 0.00 0.00 0.00 175.76 176.08 1x3d s ARG 93 N 0.71 3.06 0.39 0.00 3.52 -1.17 -0.84 118.95 124.62 1x3d s ARG 93 Ca 0.05 -0.83 0.03 0.00 -0.13 0.00 0.00 55.73 54.85 1x3d s ARG 93 Cb -0.13 -2.48 0.03 0.00 -1.56 0.00 0.00 34.95 30.81 1x3d s ARG 93 CO 0.02 -0.01 0.25 0.27 -0.81 0.00 0.00 175.30 175.02 1x3d n ASN 94 N 4.08 2.39 0.04 -2.12 6.94 -0.75 -1.28 115.26 124.55 1x3d n ASN 94 Ca -0.20 -2.41 0.18 0.00 -0.02 0.00 0.00 54.58 52.13 1x3d n ASN 94 Cb 0.52 0.01 0.41 0.00 -2.36 0.00 0.00 39.78 38.36 1x3d n ASN 94 CO 0.00 0.00 0.00 -0.78 -1.03 0.00 0.00 177.26 175.45 1x3d h ASP 95 N 0.54 0.00 0.00 0.53 3.58 -1.89 -1.64 116.42 117.55 1x3d h ASP 95 Ca -0.26 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.19 1x3d h ASP 95 Cb 0.93 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.98 1x3d h ASP 95 CO 0.41 0.00 -0.02 1.88 -2.88 0.00 0.00 179.24 178.63 1x3d h TYR 96 N 0.00 0.00 -1.64 0.28 -1.99 -1.94 -3.51 116.97 108.17 1x3d h TYR 96 Ca 0.26 0.00 0.18 0.00 2.00 0.00 0.00 58.73 61.18 1x3d h TYR 96 Cb 2.16 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 40.86 1x3d h TYR 96 CO 0.00 0.00 0.47 0.41 -0.00 0.00 0.00 178.16 179.04 1x3d n GLY 97 N 1.90 0.39 3.64 3.88 0.00 -0.62 -5.08 105.19 109.30 1x3d n GLY 97 Ca -0.00 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.07 4.76 0.71 2.61 2.01 -1.26 -1.81 115.64 120.59 1x3d s THR 98 Ca 0.16 1.59 -0.11 0.00 0.31 0.00 0.00 61.69 63.64 1x3d s THR 98 Cb -0.00 -4.19 0.02 0.00 0.01 0.00 0.00 72.50 68.33 1x3d s THR 98 CO -0.01 -0.18 1.07 -0.94 -0.69 0.00 0.00 174.62 173.87 1x3d s SER 99 N 1.41 5.19 0.24 3.53 1.04 -0.02 -4.93 113.70 120.17 1x3d s SER 99 Ca 0.37 1.65 -0.15 0.00 0.48 0.00 0.00 55.95 58.30 1x3d s SER 99 Cb -0.15 -2.49 -0.10 0.00 0.10 0.00 0.00 66.02 63.38 1x3d s SER 99 CO 0.09 -1.57 0.11 0.61 0.98 0.00 0.00 173.24 173.46 1x3d n GLY 100 N -1.85 -1.67 3.79 7.32 0.00 -1.26 -4.43 105.19 107.09 1x3d n GLY 100 Ca 0.08 0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.01 3.86 1.22 1.61 0.40 -1.26 -4.59 117.98 118.20 1x3d s PHE 101 Ca 0.39 1.53 -0.17 0.00 -0.60 0.00 0.00 56.93 58.09 1x3d s PHE 101 Cb -0.45 -2.69 0.26 0.00 0.51 0.00 0.00 43.02 40.64 1x3d s PHE 101 CO 0.40 0.51 0.65 -1.13 0.70 0.00 0.00 175.22 176.36 1x3d n SER 102 N 1.52 -2.51 -4.73 1.36 3.41 0.47 -4.87 113.62 108.27 1x3d n SER 102 Ca -0.06 -0.32 -0.42 0.00 -0.26 0.00 0.00 58.87 57.81 1x3d n SER 102 Cb 0.49 -1.09 -0.02 0.00 -0.26 0.00 0.00 64.21 63.33 1x3d n SER 102 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1x3d s GLU 103 N -4.16 4.18 0.06 4.33 2.02 -1.26 -4.68 118.70 119.18 1x3d s GLU 103 Ca 0.63 2.47 -0.31 0.00 0.02 0.00 0.00 54.97 57.78 1x3d s GLU 103 Cb -0.18 -3.09 -0.10 0.00 0.10 0.00 0.00 34.13 30.86 1x3d s GLU 103 CO 0.62 -0.61 1.92 0.39 0.02 0.00 0.00 175.26 177.60 1x3d n GLU 104 N 3.09 2.79 -4.31 1.61 4.71 -1.26 -4.74 120.64 122.53 1x3d n GLU 104 Ca 0.11 1.02 -0.34 0.00 -0.01 0.00 0.00 57.16 57.94 1x3d n GLU 104 Cb 0.38 -2.95 -0.13 0.00 -1.01 0.00 0.00 31.44 27.73 1x3d n GLU 104 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 1x3d s VAL 105 N 3.80 3.80 -0.16 2.62 -7.23 -0.87 -4.95 120.40 117.41 1x3d s VAL 105 Ca 0.87 -0.38 -0.11 0.00 -1.81 0.00 0.00 61.98 60.55 1x3d s VAL 105 Cb -0.47 -2.68 -0.05 0.00 0.56 0.00 0.00 36.38 33.74 1x3d s VAL 105 CO 0.41 0.47 0.20 -0.22 -0.31 0.00 0.00 175.10 175.66 1x3d s LEU 106 N 0.61 4.28 0.06 1.32 2.96 -1.26 -1.08 118.68 125.56 1x3d s LEU 106 Ca -0.03 0.42 0.03 0.00 -0.22 0.00 0.00 54.13 54.33 1x3d s LEU 106 Cb -0.14 -2.21 -0.03 0.00 0.50 0.00 0.00 46.19 44.31 1x3d s LEU 106 CO 0.02 0.21 -0.09 -0.31 -1.32 0.00 0.00 176.35 174.87 1x3d s TYR 107 N 0.00 0.82 -0.18 5.38 2.02 -0.53 -4.99 117.35 119.88 1x3d s TYR 107 Ca 0.13 -0.54 0.00 0.00 -0.37 0.00 0.00 57.07 56.29 1x3d s TYR 107 Cb -0.12 -0.48 0.04 0.00 -0.40 0.00 0.00 41.96 41.00 1x3d s TYR 107 CO 0.02 -0.06 -0.07 0.71 -1.57 0.00 0.00 175.55 174.58 1x3d s TYR 108 N -1.66 2.02 0.96 2.71 1.51 -1.26 -0.04 117.35 121.58 1x3d s TYR 108 Ca -0.05 -1.32 -0.17 0.00 -1.01 0.00 0.00 57.07 54.52 1x3d s TYR 108 Cb -0.08 -1.46 -0.14 0.00 -0.11 0.00 0.00 41.96 40.17 1x3d s TYR 108 CO 0.00 -0.68 -0.72 0.25 -1.11 0.00 0.00 175.55 173.30 1x3d n THR 109 N 4.79 0.01 -0.31 -0.71 -2.24 -1.26 -4.73 114.28 109.83 1x3d n THR 109 Ca -0.13 -0.49 -0.02 0.00 -2.27 0.00 0.00 64.05 61.14 1x3d n THR 109 Cb 0.47 -0.02 0.01 0.00 -2.10 0.00 0.00 70.33 68.69 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 3.26 -0.58 0.00 3.42 2.88 -1.20 -4.01 113.62 117.40 1x3d n SER 110 Ca -0.01 1.39 0.00 0.00 -1.33 0.00 0.00 58.87 58.92 1x3d n SER 110 Cb 0.55 -0.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 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 -1.34 0.95 3.37 0.46 0.00 -1.26 -4.75 105.19 102.62 1x3d n GLY 111 Ca 0.07 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.92 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 5.43 -2.96 0.00 0.00 2.88 -1.26 -5.06 113.62 112.65 1x3d n SER 113 Ca -0.07 -0.45 0.00 0.00 -1.33 0.00 0.00 58.87 57.02 1x3d n SER 113 Cb 0.50 -1.02 0.00 0.00 -0.75 0.00 0.00 64.21 62.94 1x3d n SER 113 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x3d n GLY 114 N 1.80 6.82 2.70 0.46 0.00 -1.26 -5.16 105.19 110.55 1x3d n GLY 114 Ca 0.06 -1.84 -0.23 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.67 -3.68 1.61 -0.04 -1.26 -5.10 135.00 123.86 1x3d n PRO 115 Ca 0.00 -1.35 -0.14 0.00 -0.04 0.00 0.00 63.50 61.97 1x3d n PRO 115 Cb 0.00 -1.26 -0.08 0.00 -0.04 0.00 0.00 33.50 32.11 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 -3.78 -0.45 -0.10 3.54 0.01 -1.26 -5.07 113.70 106.60 1x3d s SER 116 Ca 0.55 0.67 -0.27 0.00 1.31 0.00 0.00 55.95 58.21 1x3d s SER 116 Cb -0.05 0.71 -0.26 0.00 0.21 0.00 0.00 66.02 66.62 1x3d s SER 116 CO 0.42 -0.34 0.86 0.28 0.41 0.00 0.00 173.24 174.87 1x3d h SER 117 N 4.45 0.13 0.00 2.44 0.02 -2.10 -3.58 113.55 114.91 1x3d h SER 117 Ca -0.28 -0.93 0.00 0.00 -0.84 0.00 0.00 61.79 59.74 1x3d h SER 117 Cb 1.17 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1x3d h SER 117 CO 0.29 1.05 0.00 0.61 -1.14 0.00 0.00 176.83 177.65