#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 -0.09 0.51 1.61 1.04 -1.26 -5.14 113.70 110.37 1x3d s SER 2 Ca 0.00 0.08 -0.19 0.00 0.48 0.00 0.00 55.95 56.32 1x3d s SER 2 Cb 0.00 0.29 -0.11 0.00 0.10 0.00 0.00 66.02 66.30 1x3d s SER 2 CO 0.00 -0.24 0.40 -1.54 0.98 0.00 0.00 173.24 172.84 1x3d n SER 3 N 2.14 -1.53 0.00 7.02 3.41 -1.26 -5.00 113.62 118.41 1x3d n SER 3 Ca -0.18 0.78 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 1x3d n SER 3 Cb 0.57 -1.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 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 1.93 0.77 2.75 5.00 0.00 -1.26 -5.07 105.19 109.31 1x3d n GLY 4 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.00 2.06 0.27 1.61 1.04 -1.26 -5.13 113.70 111.29 1x3d s SER 5 Ca 0.00 -0.36 -0.21 0.00 0.48 0.00 0.00 55.95 55.86 1x3d s SER 5 Cb 0.00 -0.47 0.03 0.00 0.10 0.00 0.00 66.02 65.68 1x3d s SER 5 CO 0.00 -0.24 0.78 -0.55 0.98 0.00 0.00 173.24 174.21 1x3d s SER 6 N 1.95 -0.20 -0.42 7.02 0.15 -1.26 -5.11 113.70 115.82 1x3d s SER 6 Ca 0.03 -0.65 0.08 0.00 0.70 0.00 0.00 55.95 56.11 1x3d s SER 6 Cb -0.14 0.70 0.26 0.00 -1.71 0.00 0.00 66.02 65.13 1x3d s SER 6 CO -0.06 -1.31 0.67 0.61 1.20 0.00 0.00 173.24 174.35 1x3d n GLY 7 N -0.48 2.01 3.34 9.45 0.00 -1.26 -5.05 105.19 113.20 1x3d n GLY 7 Ca -0.05 -1.01 -0.46 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.68 4.51 -0.43 4.61 0.00 -1.26 -4.97 121.76 123.54 1x3d s ALA 8 Ca 0.34 -3.66 0.04 0.00 0.00 0.00 0.00 51.96 48.67 1x3d s ALA 8 Cb 0.21 -3.57 0.11 0.00 0.00 0.00 0.00 23.12 19.88 1x3d s ALA 8 CO -0.15 -2.24 0.15 -2.00 0.00 0.00 0.00 175.76 171.52 1x3d s GLU 9 N -0.73 1.72 -0.14 0.00 2.12 -1.26 -5.09 118.70 115.32 1x3d s GLU 9 Ca 0.27 -2.24 -0.19 0.00 0.36 0.00 0.00 54.97 53.17 1x3d s GLU 9 Cb -0.10 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 30.99 1x3d s GLU 9 CO -0.08 -1.02 0.52 0.42 -0.54 0.00 0.00 175.26 174.55 1x3d s ILE 10 N 0.32 5.14 -0.55 -3.70 -1.09 -1.26 -5.02 121.20 115.04 1x3d s ILE 10 Ca 0.14 1.01 -0.28 0.00 -2.23 0.00 0.00 60.65 59.28 1x3d s ILE 10 Cb -0.22 -3.85 0.02 0.00 -1.58 0.00 0.00 42.46 36.83 1x3d s ILE 10 CO -0.04 0.27 1.25 0.12 -1.23 0.00 0.00 174.94 175.31 1x3d s PHE 11 N 0.99 2.54 -0.07 3.97 2.19 -1.26 -4.98 117.98 121.36 1x3d s PHE 11 Ca 0.27 0.48 -0.03 0.00 0.33 0.00 0.00 56.93 57.98 1x3d s PHE 11 Cb -0.15 -4.47 0.04 0.00 -1.31 0.00 0.00 43.02 37.13 1x3d s PHE 11 CO 0.11 -1.67 0.16 -0.08 1.83 0.00 0.00 175.22 175.56 1x3d s THR 12 N 5.18 -0.05 0.77 0.12 -1.32 -1.26 -5.15 115.64 113.93 1x3d s THR 12 Ca 0.47 0.18 -0.15 0.00 -1.21 0.00 0.00 61.69 60.99 1x3d s THR 12 Cb -0.09 -0.26 0.05 0.00 -1.51 0.00 0.00 72.50 70.70 1x3d s THR 12 CO 0.27 0.07 1.15 0.41 -2.21 0.00 0.00 174.62 174.31 1x3d n THR 13 N 4.23 2.62 -3.70 5.08 -1.04 -1.26 -5.04 114.28 115.17 1x3d n THR 13 Ca -0.26 -0.29 -0.11 0.00 -2.04 0.00 0.00 64.05 61.35 1x3d n THR 13 Cb 0.52 -1.21 -0.12 0.00 -1.82 0.00 0.00 70.33 67.70 1x3d n THR 13 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 1x3d s LEU 14 N -4.84 0.02 -0.30 -4.42 2.34 -1.26 -5.13 118.68 105.10 1x3d s LEU 14 Ca 0.75 0.76 -0.06 0.00 0.06 0.00 0.00 54.13 55.63 1x3d s LEU 14 Cb -0.31 1.11 0.19 0.00 -0.56 0.00 0.00 46.19 46.61 1x3d s LEU 14 CO 0.49 -0.19 0.86 -0.44 -1.06 0.00 0.00 176.35 176.01 1x3d s SER 15 N 1.51 -0.88 0.33 1.48 0.01 -1.26 -5.08 113.70 109.81 1x3d s SER 15 Ca -0.08 0.36 0.04 0.00 1.31 0.00 0.00 55.95 57.58 1x3d s SER 15 Cb -0.10 1.66 -0.04 0.00 0.21 0.00 0.00 66.02 67.76 1x3d s SER 15 CO -0.11 -0.16 0.16 0.00 0.41 0.00 0.00 173.24 173.54 1x3d n GLU 17 N -0.66 0.00 -0.71 0.00 0.28 -1.26 -4.72 120.64 113.57 1x3d n GLU 17 Ca 0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.80 1x3d n GLU 17 Cb 0.65 -0.73 0.17 0.00 1.43 0.00 0.00 31.44 32.95 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 1.15 -2.48 -2.57 3.44 -0.04 -1.26 -4.91 135.00 128.32 1x3d n PRO 18 Ca 0.05 -1.19 -0.32 0.00 -0.04 0.00 0.00 63.50 62.00 1x3d n PRO 18 Cb 0.35 -1.12 -0.05 0.00 -0.04 0.00 0.00 33.50 32.64 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 -3.52 6.74 -0.07 3.54 2.15 -1.26 -4.64 116.67 119.60 1x3d s ASP 19 Ca 0.48 1.60 -0.30 0.00 0.43 0.00 0.00 52.55 54.77 1x3d s ASP 19 Cb -0.05 -2.51 -0.05 0.00 -0.30 0.00 0.00 42.92 40.00 1x3d s ASP 19 CO 0.37 -0.50 1.68 -0.63 -0.17 0.00 0.00 175.17 175.93 1x3d s ILE 20 N -2.45 3.55 0.77 4.11 1.01 -1.26 -4.77 121.20 122.16 1x3d s ILE 20 Ca 0.60 0.66 -0.11 0.00 0.00 0.00 0.00 60.65 61.80 1x3d s ILE 20 Cb -0.10 -3.45 0.05 0.00 0.01 0.00 0.00 42.46 38.98 1x3d s ILE 20 CO 0.24 -0.09 1.09 -2.16 0.00 0.00 0.00 174.94 174.03 1x3d s PRO 21 N 4.20 2.27 0.60 2.79 0.04 -1.26 -4.98 135.00 138.66 1x3d s PRO 21 Ca 0.75 1.18 -0.17 0.00 0.04 0.00 0.00 61.00 62.79 1x3d s PRO 21 Cb -0.33 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.28 1x3d s PRO 21 CO 0.30 -1.63 1.12 -0.80 0.04 0.00 0.00 177.00 176.03 1x3d s ASN 22 N -3.36 5.43 0.40 6.66 0.02 -1.26 -4.31 114.94 118.52 1x3d s ASN 22 Ca 0.61 2.11 -0.25 0.00 -1.02 0.00 0.00 52.86 54.31 1x3d s ASN 22 Cb -0.17 -2.57 -0.08 0.00 0.02 0.00 0.00 41.25 38.45 1x3d s ASN 22 CO 0.55 -1.42 1.19 -2.16 0.02 0.00 0.00 177.10 175.29 1x3d s PRO 23 N -3.64 4.03 0.50 -0.60 0.04 -1.26 -4.75 135.00 129.31 1x3d s PRO 23 Ca 0.70 1.88 -0.21 0.00 0.04 0.00 0.00 61.00 63.41 1x3d s PRO 23 Cb -0.23 -2.68 -0.07 0.00 0.04 0.00 0.00 34.50 31.57 1x3d s PRO 23 CO 0.34 -0.36 1.15 -1.25 0.04 0.00 0.00 177.00 176.92 1x3d s PRO 24 N -2.30 3.59 0.49 0.56 0.04 -1.26 -4.93 135.00 131.17 1x3d s PRO 24 Ca 0.57 1.70 0.07 0.00 0.04 0.00 0.00 61.00 63.38 1x3d s PRO 24 Cb -0.32 -2.23 0.01 0.00 0.04 0.00 0.00 34.50 32.00 1x3d s PRO 24 CO 0.40 -0.68 0.41 -0.98 0.04 0.00 0.00 177.00 176.19 1x3d s ARG 25 N -2.95 2.36 -0.26 4.56 1.70 0.30 -4.88 118.95 119.78 1x3d s ARG 25 Ca 0.67 -1.79 -0.11 0.00 -0.47 0.00 0.00 55.73 54.03 1x3d s ARG 25 Cb -0.26 -2.24 -0.05 0.00 -0.57 0.00 0.00 34.95 31.83 1x3d s ARG 25 CO 0.31 -0.43 0.19 0.42 -1.08 0.00 0.00 175.30 174.71 1x3d s ILE 26 N -2.64 5.33 -0.29 4.99 -1.09 -1.26 -1.59 121.20 124.64 1x3d s ILE 26 Ca 0.42 0.22 0.10 0.00 -2.23 0.00 0.00 60.65 59.16 1x3d s ILE 26 Cb -0.02 -3.53 -0.13 0.00 -1.58 0.00 0.00 42.46 37.20 1x3d s ILE 26 CO 0.25 0.29 0.34 0.00 -1.23 0.00 0.00 174.94 174.60 1x3d n ALA 27 N 4.65 2.94 -3.19 9.38 0.00 -1.11 -4.97 120.51 128.21 1x3d n ALA 27 Ca -0.14 -0.26 0.05 0.00 0.00 0.00 0.00 53.44 53.08 1x3d n ALA 27 Cb 0.52 -0.35 -0.03 0.00 0.00 0.00 0.00 19.45 19.59 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 -2.40 -0.29 -0.07 0.00 3.84 -1.24 -5.01 114.94 109.77 1x3d s ASN 28 Ca 0.01 0.26 0.05 0.00 0.21 0.00 0.00 52.86 53.38 1x3d s ASN 28 Cb 0.07 1.27 -0.00 0.00 -0.55 0.00 0.00 41.25 42.04 1x3d s ASN 28 CO 0.41 -0.05 -0.23 0.00 -2.79 0.00 0.00 177.10 174.44 1x3d s ARG 29 N 2.67 2.53 0.34 0.43 1.70 -1.26 0.15 118.95 125.51 1x3d s ARG 29 Ca -0.03 -0.82 0.01 0.00 -0.47 0.00 0.00 55.73 54.42 1x3d s ARG 29 Cb -0.07 -2.06 -0.00 0.00 -0.57 0.00 0.00 34.95 32.25 1x3d s ARG 29 CO -0.12 0.27 0.04 0.25 -1.08 0.00 0.00 175.30 174.66 1x3d n THR 30 N 3.21 0.00 0.73 4.99 -2.24 0.13 -4.60 114.28 116.50 1x3d n THR 30 Ca -0.18 -1.71 0.12 0.00 -2.27 0.00 0.00 64.05 60.01 1x3d n THR 30 Cb 0.52 0.43 0.29 0.00 -2.10 0.00 0.00 70.33 69.48 1x3d n THR 30 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1x3d n LYS 31 N -0.82 0.18 -0.75 -0.78 4.76 -1.26 -3.32 118.16 116.16 1x3d n LYS 31 Ca -0.11 0.08 0.03 0.00 -2.87 0.00 0.00 58.31 55.44 1x3d n LYS 31 Cb 0.45 -1.64 0.05 0.00 -1.84 0.00 0.00 35.03 32.05 1x3d n LYS 31 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1x3d n ASN 32 N -1.92 0.83 -3.62 4.39 4.13 -1.26 -2.01 115.26 115.81 1x3d n ASN 32 Ca 0.05 -2.36 -0.00 0.00 1.68 0.00 0.00 54.58 53.95 1x3d n ASN 32 Cb 0.40 -0.30 -0.01 0.00 -1.54 0.00 0.00 39.78 38.33 1x3d n ASN 32 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1x3d s SER 33 N -1.81 -0.08 -0.14 6.41 0.01 -1.25 -2.58 113.70 114.26 1x3d s SER 33 Ca 0.19 -0.11 -0.15 0.00 1.31 0.00 0.00 55.95 57.20 1x3d s SER 33 Cb 0.20 0.17 0.04 0.00 0.21 0.00 0.00 66.02 66.63 1x3d s SER 33 CO -0.05 -0.30 0.41 -0.76 0.41 0.00 0.00 173.24 172.94 1x3d s LEU 34 N -2.77 0.45 -0.11 2.44 1.43 0.14 -0.70 118.68 119.57 1x3d s LEU 34 Ca 0.13 0.75 0.03 0.00 -1.03 0.00 0.00 54.13 54.01 1x3d s LEU 34 Cb 0.03 1.42 -0.00 0.00 0.03 0.00 0.00 46.19 47.66 1x3d s LEU 34 CO -0.04 -0.18 -0.21 -0.89 0.23 0.00 0.00 176.35 175.26 1x3d s THR 35 N 0.04 2.31 -0.03 5.49 2.01 0.40 -0.23 115.64 125.63 1x3d s THR 35 Ca -0.02 -0.92 0.04 0.00 0.31 0.00 0.00 61.69 61.10 1x3d s THR 35 Cb -0.03 -1.91 -0.01 0.00 0.01 0.00 0.00 72.50 70.56 1x3d s THR 35 CO 0.01 0.55 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.58 1x3d s LEU 36 N 0.43 1.94 0.10 4.42 1.43 -1.15 -2.74 118.68 123.11 1x3d s LEU 36 Ca -0.15 -0.29 0.07 0.00 -1.03 0.00 0.00 54.13 52.73 1x3d s LEU 36 Cb -0.17 -0.82 -0.03 0.00 0.03 0.00 0.00 46.19 45.19 1x3d s LEU 36 CO 0.06 0.15 -0.19 -1.10 0.23 0.00 0.00 176.35 175.51 1x3d s GLN 37 N -0.11 1.07 0.28 1.70 -0.21 -0.62 -3.00 119.66 118.77 1x3d s GLN 37 Ca 0.01 -1.14 -0.15 0.00 0.02 0.00 0.00 55.36 54.09 1x3d s GLN 37 Cb -0.09 -1.24 0.01 0.00 1.00 0.00 0.00 33.01 32.69 1x3d s GLN 37 CO 0.01 0.28 0.59 1.67 -2.12 0.00 0.00 175.29 175.72 1x3d s TRP 38 N -1.30 0.21 0.48 0.91 -2.14 -1.07 -0.54 118.94 115.49 1x3d s TRP 38 Ca 0.05 -0.63 0.03 0.00 2.66 0.00 0.00 56.10 58.22 1x3d s TRP 38 Cb -0.09 0.41 -0.03 0.00 -3.10 0.00 0.00 33.47 30.66 1x3d s TRP 38 CO 0.04 -1.15 0.02 0.15 -2.66 0.00 0.00 176.95 173.35 1x3d s LYS 39 N -3.72 2.14 -0.05 3.25 1.02 -1.26 -4.84 119.74 116.27 1x3d s LYS 39 Ca 0.18 -2.30 -0.15 0.00 0.02 0.00 0.00 55.97 53.72 1x3d s LYS 39 Cb -0.03 -1.58 -0.05 0.00 -0.52 0.00 0.00 37.83 35.64 1x3d s LYS 39 CO 0.09 -0.28 0.40 0.00 -0.92 0.00 0.00 175.35 174.64 1x3d s ALA 40 N -2.83 3.64 1.00 5.17 0.00 -1.26 -4.78 121.76 122.70 1x3d s ALA 40 Ca 0.15 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.85 1x3d s ALA 40 Cb 0.04 -2.44 0.00 0.00 0.00 0.00 0.00 23.12 20.72 1x3d s ALA 40 CO 0.08 0.32 0.00 -0.35 0.00 0.00 0.00 175.76 175.81 1x3d n PRO 41 N 2.50 -0.66 -3.22 0.00 -0.04 -1.26 -4.98 135.00 127.34 1x3d n PRO 41 Ca -0.12 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.91 1x3d n PRO 41 Cb 0.52 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.90 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 6.28 -0.63 3.54 0.15 -1.26 -5.01 113.70 115.26 1x3d s SER 42 Ca 0.00 -0.32 -0.27 0.00 0.70 0.00 0.00 55.95 56.06 1x3d s SER 42 Cb 0.00 -2.27 -0.02 0.00 -1.71 0.00 0.00 66.02 62.02 1x3d s SER 42 CO 0.00 -0.61 1.81 1.51 1.20 0.00 0.00 173.24 177.15 1x3d s ASP 43 N 1.86 5.35 -0.23 5.45 -4.77 -1.26 -4.49 116.67 118.57 1x3d s ASP 43 Ca 0.18 0.26 -0.17 0.00 -3.30 0.00 0.00 52.55 49.52 1x3d s ASP 43 Cb -0.15 -2.53 -0.14 0.00 -1.09 0.00 0.00 42.92 39.00 1x3d s ASP 43 CO 0.15 -2.33 -0.11 -0.46 0.70 0.00 0.00 175.17 173.12 1x3d n ASN 44 N 12.47 1.91 0.00 2.11 0.23 -1.26 -4.84 115.26 125.87 1x3d n ASN 44 Ca 0.19 0.39 0.00 0.00 -0.53 0.00 0.00 54.58 54.63 1x3d n ASN 44 Cb 0.52 -0.88 0.00 0.00 -2.08 0.00 0.00 39.78 37.34 1x3d n ASN 44 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1x3d n GLY 45 N 1.37 1.70 3.44 4.83 0.00 -1.26 -5.05 105.19 110.22 1x3d n GLY 45 Ca -0.39 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.02 2.21 0.15 1.61 0.15 -1.26 -5.10 113.70 110.45 1x3d s SER 46 Ca 0.00 -1.50 -0.31 0.00 0.70 0.00 0.00 55.95 54.84 1x3d s SER 46 Cb 0.00 0.22 -0.09 0.00 -1.71 0.00 0.00 66.02 64.43 1x3d s SER 46 CO 0.00 -0.77 1.50 -0.75 1.20 0.00 0.00 173.24 174.41 1x3d s LYS 47 N -3.85 4.26 -0.30 5.44 2.20 -1.26 -4.86 119.74 121.36 1x3d s LYS 47 Ca 0.32 2.25 -0.29 0.00 -0.36 0.00 0.00 55.97 57.90 1x3d s LYS 47 Cb 0.06 -3.19 -0.01 0.00 -1.51 0.00 0.00 37.83 33.18 1x3d s LYS 47 CO 0.15 -0.54 1.61 0.42 -0.36 0.00 0.00 175.35 176.64 1x3d s ILE 48 N 1.07 3.69 0.00 5.43 1.01 -1.26 -4.20 121.20 126.95 1x3d s ILE 48 Ca 0.68 0.74 0.00 0.00 0.00 0.00 0.00 60.65 62.07 1x3d s ILE 48 Cb -0.41 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.24 1x3d s ILE 48 CO 0.31 -0.44 1.00 0.00 0.00 0.00 0.00 174.94 175.81 1x3d n GLN 49 N 7.98 0.00 -3.93 2.79 6.02 0.22 -4.91 117.38 125.55 1x3d n GLN 49 Ca 0.19 0.75 -0.15 0.00 -0.01 0.00 0.00 57.00 57.78 1x3d n GLN 49 Cb 0.46 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.18 1x3d n GLN 49 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1x3d n ASN 50 N -2.49 -1.08 -4.57 1.08 0.23 -1.24 -4.71 115.26 102.49 1x3d n ASN 50 Ca 0.00 -2.88 -0.34 0.00 -0.53 0.00 0.00 54.58 50.83 1x3d n ASN 50 Cb 0.00 2.13 -0.11 0.00 -2.08 0.00 0.00 39.78 39.72 1x3d n ASN 50 CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 1x3d s PHE 51 N -3.11 3.14 -0.38 -2.53 0.08 0.15 -3.29 117.98 112.05 1x3d s PHE 51 Ca 0.31 -0.11 -0.09 0.00 0.12 0.00 0.00 56.93 57.16 1x3d s PHE 51 Cb -0.00 -2.01 0.05 0.00 -0.57 0.00 0.00 43.02 40.48 1x3d s PHE 51 CO 0.22 0.07 0.19 0.08 -0.10 0.00 0.00 175.22 175.68 1x3d s VAL 52 N 0.34 4.21 -0.01 -0.44 1.01 -0.69 -1.89 120.40 122.94 1x3d s VAL 52 Ca -0.00 -1.13 -0.04 0.00 0.00 0.00 0.00 61.98 60.81 1x3d s VAL 52 Cb -0.13 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 1x3d s VAL 52 CO 0.02 -0.31 0.21 -0.22 0.00 0.00 0.00 175.10 174.80 1x3d s LEU 53 N 1.46 4.37 0.03 3.92 2.96 0.71 -3.00 118.68 129.13 1x3d s LEU 53 Ca 0.01 0.42 -0.00 0.00 -0.22 0.00 0.00 54.13 54.33 1x3d s LEU 53 Cb -0.20 -2.63 -0.02 0.00 0.50 0.00 0.00 46.19 43.83 1x3d s LEU 53 CO 0.04 0.26 -0.02 -1.61 -1.32 0.00 0.00 176.35 173.70 1x3d s GLU 54 N -1.87 0.39 0.14 1.98 2.02 -1.10 -0.75 118.70 119.51 1x3d s GLU 54 Ca 0.27 -0.76 -0.17 0.00 0.02 0.00 0.00 54.97 54.33 1x3d s GLU 54 Cb -0.13 0.14 0.04 0.00 0.10 0.00 0.00 34.13 34.28 1x3d s GLU 54 CO 0.17 -0.07 0.45 1.67 0.02 0.00 0.00 175.26 177.51 1x3d s TRP 55 N -2.07 -0.23 -0.30 1.61 1.48 -0.87 -2.24 118.94 116.32 1x3d s TRP 55 Ca -0.10 -0.08 -0.00 0.00 -1.06 0.00 0.00 56.10 54.86 1x3d s TRP 55 Cb -0.05 0.32 0.26 0.00 -1.16 0.00 0.00 33.47 32.84 1x3d s TRP 55 CO -0.03 -0.76 1.84 -0.25 -4.06 0.00 0.00 176.95 173.68 1x3d n ASP 56 N -0.27 5.50 -2.98 -2.66 9.92 -1.12 -1.55 116.55 123.39 1x3d n ASP 56 Ca -0.15 -3.01 -0.18 0.00 -0.53 0.00 0.00 54.79 50.92 1x3d n ASP 56 Cb 0.64 -0.93 -0.03 0.00 -0.64 0.00 0.00 41.12 40.15 1x3d n ASP 56 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1x3d n GLU 57 N 0.08 -1.46 -4.21 -1.24 1.02 -1.26 0.41 120.64 113.99 1x3d n GLU 57 Ca 0.31 0.06 -0.30 0.00 -0.02 0.00 0.00 57.16 57.21 1x3d n GLU 57 Cb 0.75 -3.34 -0.07 0.00 -0.02 0.00 0.00 31.44 28.76 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 -0.19 0.12 0.62 0.00 -1.26 -4.86 105.19 98.93 1x3d n GLY 58 Ca 0.05 0.16 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 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 -4.48 0.57 0.00 1.61 5.02 0.17 -4.75 118.16 116.30 1x3d n LYS 59 Ca -0.27 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1x3d n LYS 59 Cb 0.67 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.19 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 1.33 0.92 0.00 0.72 0.00 -1.26 -5.03 105.19 101.86 1x3d n GLY 60 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 4.03 0.00 1.61 0.23 -1.26 -5.05 115.26 114.82 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 0.06 0.00 0.00 -2.08 0.00 0.00 39.78 37.76 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 3.40 1.92 3.12 4.83 0.00 -1.26 -5.11 105.19 112.09 1x3d n GLY 62 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.22 2.23 0.01 1.61 0.41 -1.26 -5.10 118.70 116.38 1x3d s GLU 63 Ca 0.00 -1.40 -0.20 0.00 -0.41 0.00 0.00 54.97 52.96 1x3d s GLU 63 Cb 0.00 -3.11 -0.06 0.00 -1.78 0.00 0.00 34.13 29.19 1x3d s GLU 63 CO 0.00 -0.67 0.59 -0.06 -0.49 0.00 0.00 175.26 174.63 1x3d s PHE 64 N 1.15 3.70 0.12 1.61 0.40 -1.26 -4.14 117.98 119.56 1x3d s PHE 64 Ca -0.04 1.20 0.05 0.00 -0.60 0.00 0.00 56.93 57.54 1x3d s PHE 64 Cb -0.20 -2.58 -0.04 0.00 0.51 0.00 0.00 43.02 40.71 1x3d s PHE 64 CO -0.03 0.40 -0.12 0.00 0.70 0.00 0.00 175.22 176.16 1x3d n GLN 66 N 0.47 1.73 -0.09 0.00 7.27 -1.26 -2.05 117.38 123.45 1x3d n GLN 66 Ca -0.15 0.46 -0.14 0.00 0.07 0.00 0.00 57.00 57.24 1x3d n GLN 66 Cb 0.58 -3.09 -0.07 0.00 2.41 0.00 0.00 30.24 30.07 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 -2.35 -0.06 -0.05 0.00 6.14 -1.17 -5.02 117.35 114.85 1x3d s TYR 68 Ca -0.23 0.19 -0.01 0.00 0.64 0.00 0.00 57.07 57.65 1x3d s TYR 68 Cb 0.05 -0.02 0.03 0.00 0.42 0.00 0.00 41.96 42.43 1x3d s TYR 68 CO 0.41 -0.05 0.03 1.41 0.64 0.00 0.00 175.55 177.98 1x3d s MET 69 N 0.28 0.24 0.00 4.97 -2.45 -1.26 -0.21 119.30 120.88 1x3d s MET 69 Ca -0.02 0.21 0.00 0.00 -1.25 0.00 0.00 55.69 54.63 1x3d s MET 69 Cb -0.03 -0.64 0.00 0.00 1.25 0.00 0.00 34.83 35.40 1x3d s MET 69 CO -0.01 -0.27 0.00 0.41 1.05 0.00 0.00 175.02 176.20 1x3d n GLY 70 N 4.92 0.04 0.06 2.11 0.00 -0.79 -4.95 105.19 106.58 1x3d n GLY 70 Ca -0.11 -1.11 -0.12 0.00 0.00 0.00 0.00 46.02 44.68 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 0.07 -1.63 1.61 0.87 -1.87 0.45 113.55 113.05 1x3d h SER 71 Ca 0.00 -0.19 -0.48 0.00 -1.23 0.00 0.00 61.79 59.89 1x3d h SER 71 Cb 0.00 -0.02 0.16 0.00 -0.44 0.00 0.00 62.40 62.10 1x3d h SER 71 CO 0.00 0.24 -1.08 0.00 -0.53 0.00 0.00 176.83 175.46 1x3d n GLN 72 N -4.95 0.00 -0.14 2.24 3.00 -1.26 -4.61 117.38 111.65 1x3d n GLN 72 Ca -0.07 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 56.97 1x3d n GLN 72 Cb 0.12 -0.82 0.12 0.00 0.00 0.00 0.00 30.24 29.66 1x3d n GLN 72 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1x3d n LYS 73 N 1.42 2.60 -3.78 -1.09 5.02 -1.26 -4.73 118.16 116.34 1x3d n LYS 73 Ca 0.05 -2.10 -0.15 0.00 -2.02 0.00 0.00 58.31 54.09 1x3d n LYS 73 Cb 0.40 -1.32 -0.16 0.00 -0.02 0.00 0.00 35.03 33.93 1x3d n LYS 73 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1x3d s GLN 74 N -1.69 -0.02 -0.07 1.97 0.74 -1.26 -2.61 119.66 116.71 1x3d s GLN 74 Ca 0.20 0.18 -0.03 0.00 0.05 0.00 0.00 55.36 55.76 1x3d s GLN 74 Cb 0.15 -0.21 0.04 0.00 1.10 0.00 0.00 33.01 34.09 1x3d s GLN 74 CO 0.06 -0.15 0.16 0.12 -0.55 0.00 0.00 175.29 174.94 1x3d s PHE 75 N 0.95 -0.19 -0.30 1.67 5.36 -1.16 -5.05 117.98 119.26 1x3d s PHE 75 Ca -0.08 0.55 -0.08 0.00 -0.96 0.00 0.00 56.93 56.37 1x3d s PHE 75 Cb -0.11 -0.11 0.00 0.00 -0.34 0.00 0.00 43.02 42.46 1x3d s PHE 75 CO -0.03 -0.20 0.10 0.21 -1.46 0.00 0.00 175.22 173.84 1x3d s LYS 76 N 1.46 3.18 -0.02 10.12 2.20 -1.26 -2.94 119.74 132.48 1x3d s LYS 76 Ca -0.06 -0.81 -0.25 0.00 -0.36 0.00 0.00 55.97 54.49 1x3d s LYS 76 Cb -0.12 -3.43 -0.04 0.00 -1.51 0.00 0.00 37.83 32.73 1x3d s LYS 76 CO -0.06 -0.43 0.77 0.42 -0.36 0.00 0.00 175.35 175.68 1x3d s ILE 77 N 1.54 4.93 0.53 5.43 1.01 0.69 -4.86 121.20 130.46 1x3d s ILE 77 Ca 0.03 1.60 0.02 0.00 0.00 0.00 0.00 60.65 62.31 1x3d s ILE 77 Cb -0.17 -4.11 0.01 0.00 0.01 0.00 0.00 42.46 38.20 1x3d s ILE 77 CO 0.04 0.27 0.16 0.42 0.00 0.00 0.00 174.94 175.83 1x3d s THR 78 N 0.59 1.27 -1.06 2.92 -4.23 -1.26 0.27 115.64 114.14 1x3d s THR 78 Ca 0.40 -1.80 -0.03 0.00 -1.18 0.00 0.00 61.69 59.08 1x3d s THR 78 Cb -0.19 -2.08 0.00 0.00 1.34 0.00 0.00 72.50 71.58 1x3d s THR 78 CO 0.21 0.00 0.45 0.29 -0.54 0.00 0.00 174.62 175.03 1x3d n LYS 79 N -1.49 -3.53 -2.61 3.99 4.76 -1.06 -4.89 118.16 113.33 1x3d n LYS 79 Ca -0.13 0.62 -0.15 0.00 -2.87 0.00 0.00 58.31 55.78 1x3d n LYS 79 Cb 0.66 -4.88 0.03 0.00 -1.84 0.00 0.00 35.03 29.00 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 -2.89 0.00 -4.09 -0.35 4.77 -1.21 -5.00 117.00 108.23 1x3d n LEU 80 Ca -0.07 -1.83 -0.12 0.00 -0.03 0.00 0.00 56.01 53.96 1x3d n LEU 80 Cb 0.58 -0.21 -0.11 0.00 -2.33 0.00 0.00 43.42 41.35 1x3d n LEU 80 CO 0.33 -0.60 -0.40 -0.44 -1.33 0.00 0.00 177.39 174.96 1x3d s SER 81 N -3.43 0.91 0.50 -1.43 0.01 -1.22 -4.27 113.70 104.78 1x3d s SER 81 Ca 0.36 -0.68 -0.21 0.00 1.31 0.00 0.00 55.95 56.73 1x3d s SER 81 Cb -0.03 0.06 -0.07 0.00 0.21 0.00 0.00 66.02 66.19 1x3d s SER 81 CO 0.23 -0.28 1.15 -2.16 0.41 0.00 0.00 173.24 172.58 1x3d s PRO 82 N -2.22 3.56 -1.04 12.44 0.04 -0.85 -3.74 135.00 143.19 1x3d s PRO 82 Ca -0.04 1.70 -0.02 0.00 0.04 0.00 0.00 61.00 62.67 1x3d s PRO 82 Cb -0.06 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1x3d s PRO 82 CO -0.01 -0.70 0.88 0.00 0.04 0.00 0.00 177.00 177.21 1x3d n ALA 83 N -0.88 -1.51 -3.85 8.56 0.00 -1.22 -5.00 120.51 116.60 1x3d n ALA 83 Ca 0.09 0.06 -0.30 0.00 0.00 0.00 0.00 53.44 53.30 1x3d n ALA 83 Cb 0.49 -2.85 -0.16 0.00 0.00 0.00 0.00 19.45 16.93 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 -5.41 1.18 -0.05 0.00 0.00 -1.25 -4.98 119.30 108.79 1x3d s MET 84 Ca 0.14 -0.91 -0.30 0.00 0.00 0.00 0.00 55.69 54.62 1x3d s MET 84 Cb -0.06 -2.39 -0.04 0.00 0.00 0.00 0.00 34.83 32.33 1x3d s MET 84 CO 0.61 -0.70 1.37 0.20 0.00 0.00 0.00 175.02 176.50 1x3d s GLY 85 N 1.53 1.80 -0.03 2.11 0.00 -1.26 -3.76 107.32 107.71 1x3d s GLY 85 Ca -0.01 0.75 0.02 0.00 0.00 0.00 0.00 44.72 45.48 1x3d s GLY 85 CO -0.10 2.53 -0.06 0.00 0.00 0.00 0.00 173.10 175.47 1x3d s LYS 87 N 0.43 3.49 0.20 0.00 1.02 -1.26 -1.21 119.74 122.41 1x3d s LYS 87 Ca -0.06 -0.35 -0.01 0.00 0.02 0.00 0.00 55.97 55.57 1x3d s LYS 87 Cb -0.10 -2.97 -0.04 0.00 -0.52 0.00 0.00 37.83 34.20 1x3d s LYS 87 CO 0.00 0.55 0.12 -0.06 -0.92 0.00 0.00 175.35 175.05 1x3d s PHE 88 N -1.59 1.18 -0.25 3.18 0.40 -0.38 -2.78 117.98 117.74 1x3d s PHE 88 Ca 0.37 -1.36 -0.26 0.00 -0.60 0.00 0.00 56.93 55.08 1x3d s PHE 88 Cb -0.12 -0.58 0.11 0.00 0.51 0.00 0.00 43.02 42.94 1x3d s PHE 88 CO 0.27 -0.61 0.97 -0.98 0.70 0.00 0.00 175.22 175.57 1x3d s ARG 89 N -4.14 0.59 0.07 0.44 1.70 -0.95 -2.29 118.95 114.37 1x3d s ARG 89 Ca 0.38 0.54 0.05 0.00 -0.47 0.00 0.00 55.73 56.23 1x3d s ARG 89 Cb 0.07 0.29 -0.04 0.00 -0.57 0.00 0.00 34.95 34.70 1x3d s ARG 89 CO 0.12 -0.10 -0.05 -1.17 -1.08 0.00 0.00 175.30 173.02 1x3d s LEU 90 N -0.08 3.26 -0.19 -1.89 2.96 -1.26 -2.69 118.68 118.79 1x3d s LEU 90 Ca 0.01 -0.23 -0.17 0.00 -0.22 0.00 0.00 54.13 53.52 1x3d s LEU 90 Cb -0.04 -1.98 0.05 0.00 0.50 0.00 0.00 46.19 44.71 1x3d s LEU 90 CO -0.03 0.21 0.49 -0.94 -1.32 0.00 0.00 176.35 174.76 1x3d s SER 91 N -2.04 -0.52 -0.15 3.68 1.04 -1.16 0.56 113.70 115.11 1x3d s SER 91 Ca 0.22 1.00 -0.06 0.00 0.48 0.00 0.00 55.95 57.59 1x3d s SER 91 Cb -0.11 1.00 -0.04 0.00 0.10 0.00 0.00 66.02 66.97 1x3d s SER 91 CO 0.14 -0.17 0.06 0.00 0.98 0.00 0.00 173.24 174.25 1x3d s ALA 92 N 0.31 3.45 -0.06 5.32 0.00 -1.26 -1.70 121.76 127.82 1x3d s ALA 92 Ca -0.00 -0.74 0.04 0.00 0.00 0.00 0.00 51.96 51.26 1x3d s ALA 92 Cb -0.04 -1.81 -0.00 0.00 0.00 0.00 0.00 23.12 21.27 1x3d s ALA 92 CO 0.00 0.36 -0.19 0.50 0.00 0.00 0.00 175.76 176.43 1x3d s ARG 93 N -0.19 2.14 0.44 0.00 3.52 -1.21 -0.58 118.95 123.08 1x3d s ARG 93 Ca 0.07 -0.67 0.01 0.00 -0.13 0.00 0.00 55.73 55.01 1x3d s ARG 93 Cb -0.12 -1.77 0.01 0.00 -1.56 0.00 0.00 34.95 31.50 1x3d s ARG 93 CO 0.01 0.21 0.05 0.27 -0.81 0.00 0.00 175.30 175.04 1x3d n ASN 94 N 3.32 3.10 -0.29 -2.12 6.94 -0.77 -0.61 115.26 124.84 1x3d n ASN 94 Ca -0.19 -2.86 0.33 0.00 -0.02 0.00 0.00 54.58 51.84 1x3d n ASN 94 Cb 0.53 0.26 0.63 0.00 -2.36 0.00 0.00 39.78 38.83 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 0.97 0.00 0.00 0.53 1.82 -1.92 -1.93 116.42 115.89 1x3d h ASP 95 Ca -0.35 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.29 1x3d h ASP 95 Cb 1.09 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.10 1x3d h ASP 95 CO 0.58 0.00 0.00 -1.22 -1.61 0.00 0.00 179.24 176.99 1x3d n TYR 96 N -3.62 0.00 -3.88 0.28 4.02 -1.26 -5.08 117.16 107.62 1x3d n TYR 96 Ca 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.15 1x3d n TYR 96 Cb 1.43 -0.50 0.01 0.00 -0.02 0.00 0.00 39.34 40.27 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 1.72 0.53 3.66 2.72 0.00 -0.73 -4.98 105.19 108.12 1x3d n GLY 97 Ca 0.00 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.12 4.87 0.43 2.61 2.01 -1.26 -1.84 115.64 120.33 1x3d s THR 98 Ca 0.20 1.59 -0.22 0.00 0.31 0.00 0.00 61.69 63.56 1x3d s THR 98 Cb -0.01 -4.12 -0.10 0.00 0.01 0.00 0.00 72.50 68.28 1x3d s THR 98 CO 0.02 -0.01 0.99 -0.94 -0.69 0.00 0.00 174.62 173.98 1x3d s SER 99 N 1.23 6.81 0.22 3.53 1.04 0.26 -4.95 113.70 121.85 1x3d s SER 99 Ca 0.36 1.82 -0.16 0.00 0.48 0.00 0.00 55.95 58.45 1x3d s SER 99 Cb -0.16 -2.56 -0.11 0.00 0.10 0.00 0.00 66.02 63.29 1x3d s SER 99 CO 0.10 -0.45 0.17 0.61 0.98 0.00 0.00 173.24 174.66 1x3d n GLY 100 N -0.26 -1.63 3.82 7.32 0.00 -1.26 -4.26 105.19 108.92 1x3d n GLY 100 Ca 0.07 0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1x3d n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x3d s PHE 101 N -0.98 2.79 0.85 1.61 0.40 -1.26 -4.47 117.98 116.92 1x3d s PHE 101 Ca 0.42 0.98 -0.12 0.00 -0.60 0.00 0.00 56.93 57.61 1x3d s PHE 101 Cb -0.52 -3.26 0.10 0.00 0.51 0.00 0.00 43.02 39.85 1x3d s PHE 101 CO 0.41 -1.92 1.17 -1.54 0.70 0.00 0.00 175.22 174.04 1x3d s SER 102 N -4.09 4.14 0.32 1.36 1.04 0.19 -4.87 113.70 111.79 1x3d s SER 102 Ca 0.62 0.84 -0.29 0.00 0.48 0.00 0.00 55.95 57.60 1x3d s SER 102 Cb -0.14 -1.36 -0.12 0.00 0.10 0.00 0.00 66.02 64.50 1x3d s SER 102 CO 0.53 -2.14 1.32 -0.62 0.98 0.00 0.00 173.24 173.31 1x3d n GLU 103 N -3.48 2.14 -1.74 4.02 -0.58 -1.26 -4.64 120.64 115.10 1x3d n GLU 103 Ca 0.08 0.75 -0.42 0.00 -0.42 0.00 0.00 57.16 57.14 1x3d n GLU 103 Cb 0.60 -2.35 -0.03 0.00 -0.57 0.00 0.00 31.44 29.09 1x3d n GLU 103 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1x3d s GLU 104 N -1.61 3.73 -0.23 3.49 2.02 -1.26 -4.76 118.70 120.08 1x3d s GLU 104 Ca 0.58 2.23 -0.07 0.00 0.02 0.00 0.00 54.97 57.73 1x3d s GLU 104 Cb -0.58 -4.21 -0.03 0.00 0.10 0.00 0.00 34.13 29.42 1x3d s GLU 104 CO 0.60 -1.41 0.06 0.14 0.02 0.00 0.00 175.26 174.67 1x3d s VAL 105 N 5.91 4.31 -0.25 2.63 -7.23 -0.97 -4.95 120.40 119.85 1x3d s VAL 105 Ca 0.89 -0.18 -0.12 0.00 -1.81 0.00 0.00 61.98 60.76 1x3d s VAL 105 Cb -0.36 -3.00 -0.05 0.00 0.56 0.00 0.00 36.38 33.54 1x3d s VAL 105 CO 0.37 0.37 0.25 -0.22 -0.31 0.00 0.00 175.10 175.56 1x3d s LEU 106 N 1.38 4.08 0.16 1.32 2.96 -1.26 -1.25 118.68 126.08 1x3d s LEU 106 Ca 0.05 0.18 0.09 0.00 -0.22 0.00 0.00 54.13 54.24 1x3d s LEU 106 Cb -0.15 -2.25 -0.04 0.00 0.50 0.00 0.00 46.19 44.26 1x3d s LEU 106 CO 0.03 -0.04 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.50 1x3d s TYR 107 N 1.51 1.99 -0.09 5.38 2.02 -0.35 -4.97 117.35 122.84 1x3d s TYR 107 Ca 0.11 -0.42 -0.00 0.00 -0.37 0.00 0.00 57.07 56.38 1x3d s TYR 107 Cb -0.15 -1.01 0.02 0.00 -0.40 0.00 0.00 41.96 40.43 1x3d s TYR 107 CO 0.08 0.36 -0.05 0.71 -1.57 0.00 0.00 175.55 175.08 1x3d s TYR 108 N -1.73 1.17 1.03 2.71 1.51 -1.26 -0.76 117.35 120.02 1x3d s TYR 108 Ca 0.16 -0.51 -0.17 0.00 -1.01 0.00 0.00 57.07 55.54 1x3d s TYR 108 Cb -0.07 -1.05 0.04 0.00 -0.11 0.00 0.00 41.96 40.76 1x3d s TYR 108 CO 0.07 -0.42 0.00 0.25 -1.11 0.00 0.00 175.55 174.34 1x3d n THR 109 N 4.90 0.00 -1.43 -0.71 -2.24 -1.25 -4.88 114.28 108.67 1x3d n THR 109 Ca -0.12 -0.25 -0.36 0.00 -2.27 0.00 0.00 64.05 61.05 1x3d n THR 109 Cb 0.50 -0.53 0.08 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 -0.80 0.86 0.00 3.42 2.88 -1.21 -4.08 113.62 114.69 1x3d n SER 110 Ca 0.03 0.70 0.00 0.00 -1.33 0.00 0.00 58.87 58.27 1x3d n SER 110 Cb 0.59 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 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 1.03 -1.44 2.29 0.46 0.00 -1.26 -3.44 105.19 102.83 1x3d n GLY 111 Ca 0.14 0.67 -0.34 0.00 0.00 0.00 0.00 46.02 46.49 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 1.74 6.14 0.00 0.00 0.01 -1.26 -4.79 113.70 115.54 1x3d s SER 113 Ca 0.66 1.11 0.00 0.00 1.31 0.00 0.00 55.95 59.03 1x3d s SER 113 Cb 0.22 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.91 1x3d s SER 113 CO -0.06 -1.54 0.00 0.61 0.41 0.00 0.00 173.24 172.65 1x3d n GLY 114 N 5.21 3.35 3.64 3.44 0.00 -1.26 -5.11 105.19 114.45 1x3d n GLY 114 Ca 0.20 -1.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.01 1x3d n GLY 114 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x3d s PRO 115 N -3.12 -0.34 -0.37 1.61 0.04 -1.26 -4.96 135.00 126.61 1x3d s PRO 115 Ca 0.00 0.26 -0.29 0.00 0.04 0.00 0.00 61.00 61.01 1x3d s PRO 115 Cb 0.00 -1.67 0.02 0.00 0.04 0.00 0.00 34.50 32.89 1x3d s PRO 115 CO 0.00 -3.19 1.16 -1.12 0.04 0.00 0.00 177.00 173.89 1x3d s SER 116 N -3.62 6.75 -0.37 6.66 0.01 -1.26 -4.94 113.70 116.92 1x3d s SER 116 Ca 0.68 0.88 -0.33 0.00 1.31 0.00 0.00 55.95 58.49 1x3d s SER 116 Cb -0.15 -2.54 -0.10 0.00 0.21 0.00 0.00 66.02 63.43 1x3d s SER 116 CO 0.57 -1.07 2.24 -0.24 0.41 0.00 0.00 173.24 175.15 1x3d n SER 117 N 7.46 2.24 0.00 2.44 2.88 -1.26 -5.33 113.62 122.05 1x3d n SER 117 Ca 0.13 0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 1x3d n SER 117 Cb 0.48 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 1x3d n SER 117 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42