#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hrd s ASN 2 N 0.00 5.57 0.48 6.12 0.01 -1.26 -5.09 114.94 120.77 3hrd s ASN 2 Ca 0.00 0.12 -0.23 0.00 -0.71 0.00 0.00 52.86 52.04 3hrd s ASN 2 Cb 0.00 -1.57 -0.07 0.00 0.41 0.00 0.00 41.25 40.02 3hrd s ASN 2 CO 0.00 0.28 1.24 -0.54 -1.51 0.00 0.00 177.10 176.56 3hrd s LYS 3 N -1.69 3.62 0.17 -0.60 1.02 -1.26 -4.60 119.74 116.39 3hrd s LYS 3 Ca 0.22 1.95 0.07 0.00 0.02 0.00 0.00 55.97 58.23 3hrd s LYS 3 Cb -0.12 -2.42 -0.04 0.00 -0.52 0.00 0.00 37.83 34.73 3hrd s LYS 3 CO 0.13 -0.72 0.01 0.96 -0.92 0.00 0.00 175.35 174.81 3hrd s ILE 4 N -1.44 3.79 -0.19 2.17 -4.36 0.14 -4.84 121.20 116.47 3hrd s ILE 4 Ca 0.65 -1.36 -0.15 0.00 -0.26 0.00 0.00 60.65 59.52 3hrd s ILE 4 Cb -0.33 -2.90 -0.04 0.00 1.25 0.00 0.00 42.46 40.44 3hrd s ILE 4 CO 0.40 -0.09 0.37 -0.89 0.24 0.00 0.00 174.94 174.97 3hrd s THR 5 N -1.69 5.23 -0.16 8.37 2.01 -1.26 -1.01 115.64 127.14 3hrd s THR 5 Ca 0.27 0.66 0.01 0.00 0.31 0.00 0.00 61.69 62.95 3hrd s THR 5 Cb -0.10 -3.70 0.01 0.00 0.01 0.00 0.00 72.50 68.72 3hrd s THR 5 CO 0.19 0.29 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.58 3hrd s ILE 6 N 1.08 2.22 -0.11 1.82 1.01 0.49 -4.98 121.20 122.73 3hrd s ILE 6 Ca 0.18 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.94 3hrd s ILE 6 Cb -0.14 -1.91 -0.02 0.00 0.01 0.00 0.00 42.46 40.40 3hrd s ILE 6 CO 0.07 0.54 -0.15 0.20 0.00 0.00 0.00 174.94 175.60 3hrd s ASN 7 N 0.95 3.87 0.23 3.58 0.01 -1.26 -0.61 114.94 121.72 3hrd s ASN 7 Ca -0.03 -0.33 -0.22 0.00 -0.71 0.00 0.00 52.86 51.56 3hrd s ASN 7 Cb -0.15 -1.38 0.04 0.00 0.41 0.00 0.00 41.25 40.17 3hrd s ASN 7 CO -0.04 0.21 0.74 -1.48 -1.51 0.00 0.00 177.10 175.02 3hrd s LEU 8 N 0.08 -0.31 -0.54 0.60 2.34 -0.99 0.17 118.68 120.04 3hrd s LEU 8 Ca -0.06 -0.45 -0.08 0.00 0.06 0.00 0.00 54.13 53.60 3hrd s LEU 8 Cb -0.15 2.60 0.14 0.00 -0.56 0.00 0.00 46.19 48.22 3hrd s LEU 8 CO 0.05 -1.19 0.40 0.21 -1.06 0.00 0.00 176.35 174.75 3hrd s ASN 9 N -2.88 5.67 -0.19 1.48 3.84 0.06 -0.93 114.94 121.99 3hrd s ASN 9 Ca 0.09 -2.23 -0.16 0.00 0.21 0.00 0.00 52.86 50.78 3hrd s ASN 9 Cb -0.04 -1.98 -0.04 0.00 -0.55 0.00 0.00 41.25 38.64 3hrd s ASN 9 CO 0.02 -0.59 0.39 -0.22 -2.79 0.00 0.00 177.10 173.91 3hrd s LEU 10 N 0.88 4.18 -1.52 3.21 2.96 -0.25 -1.14 118.68 126.99 3hrd s LEU 10 Ca 0.10 0.54 -0.02 0.00 -0.22 0.00 0.00 54.13 54.53 3hrd s LEU 10 Cb -0.23 -2.50 0.00 0.00 0.50 0.00 0.00 46.19 43.96 3hrd s LEU 10 CO -0.03 -0.04 0.06 0.59 -1.32 0.00 0.00 176.35 175.61 3hrd n ASN 11 N 4.24 0.59 0.00 3.68 3.02 -0.04 -1.26 115.26 125.50 3hrd n ASN 11 Ca -0.09 -1.28 0.00 0.00 -0.03 0.00 0.00 54.58 53.19 3hrd n ASN 11 Cb 0.51 -1.63 0.00 0.00 -0.61 0.00 0.00 39.78 38.05 3hrd n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hrd n GLY 12 N -2.54 1.22 3.14 7.41 0.00 -1.26 -4.92 105.19 108.23 3hrd n GLY 12 Ca -0.32 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.52 3hrd n GLY 12 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hrd s GLU 13 N -0.30 0.82 -0.33 1.61 -1.05 -0.39 -5.10 118.70 113.96 3hrd s GLU 13 Ca 0.00 -0.81 -0.29 0.00 -0.15 0.00 0.00 54.97 53.72 3hrd s GLU 13 Cb 0.00 -0.80 0.00 0.00 -0.44 0.00 0.00 34.13 32.89 3hrd s GLU 13 CO 0.00 0.19 1.31 0.00 0.95 0.00 0.00 175.26 177.71 3hrd s ALA 14 N -1.05 3.28 0.37 -0.84 0.00 -1.26 -1.10 121.76 121.17 3hrd s ALA 14 Ca -0.01 0.01 0.08 0.00 0.00 0.00 0.00 51.96 52.04 3hrd s ALA 14 Cb -0.09 -3.82 -0.05 0.00 0.00 0.00 0.00 23.12 19.16 3hrd s ALA 14 CO 0.01 -1.93 0.09 1.03 0.00 0.00 0.00 175.76 174.96 3hrd s ARG 15 N 4.35 2.17 -0.27 0.00 1.81 -0.11 -4.96 118.95 121.93 3hrd s ARG 15 Ca 0.57 -1.78 -0.16 0.00 -1.72 0.00 0.00 55.73 52.64 3hrd s ARG 15 Cb -0.15 -1.97 0.08 0.00 -0.45 0.00 0.00 34.95 32.46 3hrd s ARG 15 CO 0.26 0.03 0.68 0.45 -0.68 0.00 0.00 175.30 176.03 3hrd s SER 16 N -3.80 -0.91 -0.07 0.23 0.15 -1.26 -2.35 113.70 105.69 3hrd s SER 16 Ca 0.37 1.48 -0.06 0.00 0.70 0.00 0.00 55.95 58.44 3hrd s SER 16 Cb 0.02 1.36 0.02 0.00 -1.71 0.00 0.00 66.02 65.71 3hrd s SER 16 CO 0.21 -0.24 0.18 -0.51 1.20 0.00 0.00 173.24 174.08 3hrd s ILE 17 N 1.54 -0.00 -0.31 6.45 2.07 0.22 -4.97 121.20 126.19 3hrd s ILE 17 Ca -0.09 0.02 -0.11 0.00 -1.41 0.00 0.00 60.65 59.06 3hrd s ILE 17 Cb -0.05 -0.26 -0.02 0.00 0.13 0.00 0.00 42.46 42.26 3hrd s ILE 17 CO -0.18 0.01 0.18 -0.69 -1.91 0.00 0.00 174.94 172.34 3hrd s VAL 18 N 0.20 4.90 0.27 4.00 1.01 -1.26 -0.38 120.40 129.14 3hrd s VAL 18 Ca -0.01 -0.25 -0.12 0.00 0.00 0.00 0.00 61.98 61.60 3hrd s VAL 18 Cb -0.02 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.89 3hrd s VAL 18 CO -0.00 0.09 0.50 0.28 0.00 0.00 0.00 175.10 175.97 3hrd s THR 19 N 1.67 0.00 0.36 3.92 -1.32 -0.18 -4.90 115.64 115.18 3hrd s THR 19 Ca 0.06 -1.40 -0.27 0.00 -1.21 0.00 0.00 61.69 58.86 3hrd s THR 19 Cb -0.17 -2.29 -0.09 0.00 -1.51 0.00 0.00 72.50 68.43 3hrd s THR 19 CO 0.08 0.00 1.24 -1.61 -2.21 0.00 0.00 174.62 172.12 3hrd s GLU 20 N -3.79 4.24 0.05 7.08 8.01 -1.26 0.23 118.70 133.26 3hrd s GLU 20 Ca 0.23 2.04 0.27 0.00 0.01 0.00 0.00 54.97 57.52 3hrd s GLU 20 Cb -0.01 -2.92 0.93 0.00 -4.31 0.00 0.00 34.13 27.82 3hrd s GLU 20 CO 0.11 -0.22 1.74 -0.35 0.01 0.00 0.00 175.26 176.54 3hrd n PRO 21 N 0.53 0.08 -1.27 0.39 -0.04 -1.26 -4.56 135.00 128.87 3hrd n PRO 21 Ca 0.02 0.05 -0.37 0.00 -0.04 0.00 0.00 63.50 63.16 3hrd n PRO 21 Cb 0.44 -1.58 -0.02 0.00 -0.04 0.00 0.00 33.50 32.29 3hrd n PRO 21 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3hrd n ASN 22 N -1.71 5.49 -3.57 3.54 6.94 -1.26 -4.48 115.26 120.20 3hrd n ASN 22 Ca 0.06 -2.61 -0.08 0.00 -0.02 0.00 0.00 54.58 51.93 3hrd n ASN 22 Cb 0.37 -1.41 -0.02 0.00 -2.36 0.00 0.00 39.78 36.36 3hrd n ASN 22 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 3hrd s LYS 23 N 3.21 1.18 0.44 -3.83 -2.85 -1.26 -5.09 119.74 111.54 3hrd s LYS 23 Ca 0.55 -0.52 -0.04 0.00 -1.00 0.00 0.00 55.97 54.95 3hrd s LYS 23 Cb 0.15 0.49 -0.04 0.00 -2.06 0.00 0.00 37.83 36.36 3hrd s LYS 23 CO -0.03 -0.53 0.72 1.03 0.10 0.00 0.00 175.35 176.64 3hrd s ARG 24 N -3.47 3.54 0.46 1.78 0.52 -1.26 -0.88 118.95 119.64 3hrd s ARG 24 Ca 0.06 0.07 0.12 0.00 -0.52 0.00 0.00 55.73 55.46 3hrd s ARG 24 Cb -0.02 -2.46 1.06 0.00 0.52 0.00 0.00 34.95 34.05 3hrd s ARG 24 CO -0.06 -0.09 2.09 1.25 0.02 0.00 0.00 175.30 178.51 3hrd h LEU 25 N 0.47 0.20 -0.51 2.53 5.85 0.26 -1.29 115.31 122.83 3hrd h LEU 25 Ca -0.48 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 3hrd h LEU 25 Cb 1.21 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 3hrd h LEU 25 CO 0.62 0.17 0.26 0.25 -0.34 0.00 0.00 178.44 179.40 3hrd h LEU 26 N 0.23 0.65 -0.17 2.25 5.85 -1.52 -1.39 115.31 121.22 3hrd h LEU 26 Ca 0.06 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3hrd h LEU 26 Cb 0.02 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 3hrd h LEU 26 CO -0.01 0.58 0.06 0.44 -0.34 0.00 0.00 178.44 179.17 3hrd h ASP 27 N 0.67 0.24 -0.44 1.25 3.32 -1.56 -0.94 116.42 118.96 3hrd h ASP 27 Ca 0.18 -0.18 0.09 0.00 0.02 0.00 0.00 57.03 57.13 3hrd h ASP 27 Cb 0.09 -0.06 -0.08 0.00 0.22 0.00 0.00 39.33 39.50 3hrd h ASP 27 CO -0.03 0.35 -0.05 0.25 -1.72 0.00 0.00 179.24 178.05 3hrd h LEU 28 N 0.11 -0.29 -0.07 1.55 5.85 -1.07 0.24 115.31 121.63 3hrd h LEU 28 Ca 0.05 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 3hrd h LEU 28 Cb 0.20 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 3hrd h LEU 28 CO -0.00 -0.10 -0.00 -0.07 -0.34 0.00 0.00 178.44 177.92 3hrd h LEU 29 N 0.06 0.12 0.17 2.25 3.38 -1.12 -1.42 115.31 118.75 3hrd h LEU 29 Ca 0.22 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3hrd h LEU 29 Cb 0.33 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3hrd h LEU 29 CO -0.41 0.42 -0.08 0.03 0.09 0.00 0.00 178.44 178.49 3hrd h ARG 30 N -0.18 -0.23 0.00 1.13 3.08 -0.85 -0.43 114.38 116.90 3hrd h ARG 30 Ca 0.02 0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 3hrd h ARG 30 Cb 0.36 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 3hrd h ARG 30 CO 0.00 0.07 -0.06 0.93 -1.07 0.00 0.00 179.97 179.85 3hrd h GLU 31 N -0.53 0.00 -0.14 0.04 4.39 -0.63 -2.42 114.58 115.29 3hrd h GLU 31 Ca -0.02 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.56 3hrd h GLU 31 Cb 0.40 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 3hrd h GLU 31 CO 0.04 0.25 -0.44 -0.44 -1.16 0.00 0.00 179.01 177.26 3hrd h ASP 32 N -1.00 0.35 -0.01 1.42 3.32 -1.34 -3.27 116.42 115.90 3hrd h ASP 32 Ca -0.01 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.88 3hrd h ASP 32 Cb 0.28 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3hrd h ASP 32 CO -0.00 0.75 -0.12 0.49 -1.72 0.00 0.00 179.24 178.63 3hrd n PHE 33 N -4.01 0.00 -1.20 4.55 3.72 -0.91 -4.99 117.46 114.63 3hrd n PHE 33 Ca -0.02 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.32 3hrd n PHE 33 Cb 0.51 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.02 3hrd n PHE 33 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hrd n GLY 34 N 0.88 0.78 3.56 1.37 0.00 -0.91 -4.92 105.19 105.94 3hrd n GLY 34 Ca 0.07 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 3hrd n GLY 34 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hrd s LEU 35 N -1.53 3.70 0.00 0.99 1.43 -0.21 -4.79 118.68 118.26 3hrd s LEU 35 Ca 0.00 -1.80 0.14 0.00 -1.03 0.00 0.00 54.13 51.44 3hrd s LEU 35 Cb 0.00 -2.56 0.59 0.00 0.03 0.00 0.00 46.19 44.25 3hrd s LEU 35 CO 0.00 -1.38 1.41 0.35 0.23 0.00 0.00 176.35 176.97 3hrd n THR 36 N 6.64 0.17 0.18 5.49 -2.24 -1.26 -3.39 114.28 119.86 3hrd n THR 36 Ca 0.37 -0.21 0.05 0.00 -2.27 0.00 0.00 64.05 62.00 3hrd n THR 36 Cb 0.49 0.08 0.25 0.00 -2.10 0.00 0.00 70.33 69.05 3hrd n THR 36 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3hrd h SER 37 N 1.10 0.00 -2.37 3.42 4.64 -1.97 -3.39 113.55 114.98 3hrd h SER 37 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 3hrd h SER 37 Cb 0.25 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.27 3hrd h SER 37 CO 0.00 0.40 1.13 -0.69 -0.87 0.00 0.00 176.83 176.80 3hrd s VAL 38 N -3.39 3.66 0.65 0.95 1.01 -1.22 -4.76 120.40 117.30 3hrd s VAL 38 Ca 0.01 0.42 -0.08 0.00 0.00 0.00 0.00 61.98 62.33 3hrd s VAL 38 Cb 0.10 -4.64 0.02 0.00 0.00 0.00 0.00 36.38 31.86 3hrd s VAL 38 CO 0.70 -1.54 0.99 -0.54 0.00 0.00 0.00 175.10 174.71 3hrd s LYS 39 N 5.96 2.77 -0.37 2.72 -0.14 -1.08 -4.88 119.74 124.73 3hrd s LYS 39 Ca 0.45 0.13 0.01 0.00 -1.36 0.00 0.00 55.97 55.20 3hrd s LYS 39 Cb -0.09 -2.16 0.11 0.00 -1.68 0.00 0.00 37.83 34.01 3hrd s LYS 39 CO 0.18 -0.91 0.15 -2.00 -0.76 0.00 0.00 175.35 172.00 3hrd s GLU 40 N -5.17 1.12 0.03 1.68 2.12 -1.26 -2.52 118.70 114.69 3hrd s GLU 40 Ca 0.56 -1.62 0.22 0.00 0.36 0.00 0.00 54.97 54.49 3hrd s GLU 40 Cb -0.11 -2.40 -0.09 0.00 0.26 0.00 0.00 34.13 31.79 3hrd s GLU 40 CO 0.47 -1.04 0.88 0.41 -0.54 0.00 0.00 175.26 175.44 3hrd n GLY 41 N 4.20 -1.13 0.00 -1.50 0.00 -1.26 -4.80 105.19 100.70 3hrd n GLY 41 Ca 0.03 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3hrd n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hrd n SER 43 N -0.40 -2.15 -0.22 0.00 7.64 -1.26 -4.86 113.62 112.36 3hrd n SER 43 Ca 0.00 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.93 3hrd n SER 43 Cb 0.00 -0.79 0.07 0.00 -1.01 0.00 0.00 64.21 62.49 3hrd n SER 43 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 3hrd n GLU 44 N -2.19 0.85 -1.00 1.43 0.28 -1.26 -4.93 120.64 113.82 3hrd n GLU 44 Ca 0.00 -1.85 0.00 0.00 -0.16 0.00 0.00 57.16 55.15 3hrd n GLU 44 Cb 0.05 -1.06 0.00 0.00 1.43 0.00 0.00 31.44 31.86 3hrd n GLU 44 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3hrd n GLY 45 N -0.79 0.38 0.08 -1.84 0.00 -1.26 -4.95 105.19 96.80 3hrd n GLY 45 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 3hrd n GLY 45 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hrd h GLU 46 N 0.77 0.00 0.00 1.61 4.39 -1.95 -3.40 114.58 116.00 3hrd h GLU 46 Ca 0.00 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 3hrd h GLU 46 Cb 0.26 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 3hrd h GLU 46 CO 0.00 0.60 -0.36 0.00 -1.16 0.00 0.00 179.01 178.09 3hrd n GLY 48 N -0.48 2.34 0.38 0.00 0.00 -1.24 -0.34 105.19 105.85 3hrd n GLY 48 Ca -0.02 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.19 3hrd n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hrd h ALA 49 N 0.00 1.94 -0.46 4.61 0.00 -1.88 0.30 119.26 123.77 3hrd h ALA 49 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hrd h ALA 49 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3hrd h ALA 49 CO 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 179.25 178.66 3hrd s THR 51 N -2.18 3.05 0.04 0.00 2.01 0.10 -2.98 115.64 115.68 3hrd s THR 51 Ca 0.41 1.02 -0.02 0.00 0.31 0.00 0.00 61.69 63.41 3hrd s THR 51 Cb 0.30 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 69.13 3hrd s THR 51 CO 0.14 0.23 0.01 0.68 -0.69 0.00 0.00 174.62 174.99 3hrd s VAL 52 N -0.94 0.16 -0.53 3.82 -7.23 -1.03 -4.55 120.40 110.10 3hrd s VAL 52 Ca 0.49 -1.32 -0.27 0.00 -1.81 0.00 0.00 61.98 59.07 3hrd s VAL 52 Cb -0.37 -0.96 0.03 0.00 0.56 0.00 0.00 36.38 35.65 3hrd s VAL 52 CO 0.47 -0.73 1.08 -0.63 -0.31 0.00 0.00 175.10 174.98 3hrd s ILE 53 N -2.80 4.21 -0.54 -0.62 1.01 -0.53 -1.55 121.20 120.38 3hrd s ILE 53 Ca -0.03 0.82 -0.12 0.00 0.00 0.00 0.00 60.65 61.32 3hrd s ILE 53 Cb -0.00 -4.61 0.13 0.00 0.01 0.00 0.00 42.46 37.99 3hrd s ILE 53 CO -0.06 -1.14 0.44 0.12 0.00 0.00 0.00 174.94 174.31 3hrd s PHE 54 N 4.43 3.40 -1.02 3.97 5.36 0.57 -1.54 117.98 133.15 3hrd s PHE 54 Ca 0.41 -1.74 -0.07 0.00 -0.96 0.00 0.00 56.93 54.57 3hrd s PHE 54 Cb -0.09 -3.62 -0.06 0.00 -0.34 0.00 0.00 43.02 38.92 3hrd s PHE 54 CO 0.26 -1.00 0.88 0.09 -1.46 0.00 0.00 175.22 174.00 3hrd n ASN 55 N 4.86 -6.67 0.00 6.13 5.03 -0.05 -1.93 115.26 122.63 3hrd n ASN 55 Ca -0.07 -0.67 0.00 0.00 0.87 0.00 0.00 54.58 54.71 3hrd n ASN 55 Cb 0.41 -5.05 0.00 0.00 -1.02 0.00 0.00 39.78 34.12 3hrd n ASN 55 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hrd n GLY 56 N -1.33 1.13 3.31 7.41 0.00 -1.26 -4.94 105.19 109.52 3hrd n GLY 56 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 3hrd n GLY 56 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hrd s ASP 57 N -2.77 3.17 0.36 1.61 1.01 -0.81 -4.85 116.67 114.38 3hrd s ASP 57 Ca 0.00 -0.46 -0.25 0.00 0.71 0.00 0.00 52.55 52.55 3hrd s ASP 57 Cb 0.00 -0.59 -0.09 0.00 1.01 0.00 0.00 42.92 43.25 3hrd s ASP 57 CO 0.00 0.29 1.03 -2.16 0.21 0.00 0.00 175.17 174.54 3hrd s PRO 58 N -0.44 4.34 0.07 8.23 0.04 -1.26 0.21 135.00 146.19 3hrd s PRO 58 Ca 0.05 1.51 -0.11 0.00 0.04 0.00 0.00 61.00 62.50 3hrd s PRO 58 Cb -0.12 -2.71 0.01 0.00 0.04 0.00 0.00 34.50 31.73 3hrd s PRO 58 CO 0.01 0.02 0.24 0.14 0.04 0.00 0.00 177.00 177.44 3hrd s VAL 59 N -1.57 0.11 -0.43 -0.36 -7.23 -0.60 -4.82 120.40 105.51 3hrd s VAL 59 Ca 0.54 -0.92 -0.23 0.00 -1.81 0.00 0.00 61.98 59.56 3hrd s VAL 59 Cb -0.23 -1.10 0.02 0.00 0.56 0.00 0.00 36.38 35.63 3hrd s VAL 59 CO 0.29 -0.51 0.77 0.42 -0.31 0.00 0.00 175.10 175.76 3hrd s THR 60 N -3.16 4.68 -0.85 5.32 -4.23 -1.26 -2.45 115.64 113.69 3hrd s THR 60 Ca -0.01 0.48 0.18 0.00 -1.18 0.00 0.00 61.69 61.17 3hrd s THR 60 Cb 0.01 -4.29 0.17 0.00 1.34 0.00 0.00 72.50 69.73 3hrd s THR 60 CO -0.07 -0.65 1.57 0.35 -0.54 0.00 0.00 174.62 175.27 3hrd n THR 61 N 6.05 0.88 1.22 3.99 -2.24 -1.16 -2.00 114.28 121.03 3hrd n THR 61 Ca 0.02 0.22 0.14 0.00 -2.27 0.00 0.00 64.05 62.16 3hrd n THR 61 Cb 0.48 -1.01 0.67 0.00 -2.10 0.00 0.00 70.33 68.38 3hrd n THR 61 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hrd s MET 64 N -1.13 1.95 0.02 0.00 1.00 -1.17 -5.03 119.30 114.94 3hrd s MET 64 Ca 0.24 -1.03 -0.25 0.00 0.00 0.00 0.00 55.69 54.65 3hrd s MET 64 Cb 0.14 -2.03 -0.05 0.00 0.00 0.00 0.00 34.83 32.89 3hrd s MET 64 CO 0.20 0.53 0.78 -0.51 0.00 0.00 0.00 175.02 176.02 3hrd s LEU 65 N -1.06 4.42 0.23 -0.03 1.02 -1.26 0.22 118.68 122.22 3hrd s LEU 65 Ca 0.12 1.43 -0.02 0.00 0.02 0.00 0.00 54.13 55.68 3hrd s LEU 65 Cb -0.10 -3.25 0.51 0.00 0.02 0.00 0.00 46.19 43.37 3hrd s LEU 65 CO 0.01 -0.03 1.23 0.00 0.02 0.00 0.00 176.35 177.58 3hrd n ALA 66 N 3.06 0.32 0.27 4.21 0.00 -0.06 0.62 120.51 128.92 3hrd n ALA 66 Ca -0.01 0.85 0.15 0.00 0.00 0.00 0.00 53.44 54.42 3hrd n ALA 66 Cb 0.50 -0.58 0.86 0.00 0.00 0.00 0.00 19.45 20.23 3hrd n ALA 66 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3hrd h GLY 67 N 0.00 0.00 1.94 0.00 0.00 -1.83 -2.13 103.07 101.05 3hrd h GLY 67 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.77 3hrd h GLY 67 CO -0.77 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 174.71 3hrd n GLN 68 N -3.94 0.03 -0.14 4.80 6.02 0.20 -2.24 117.38 122.11 3hrd n GLN 68 Ca -0.02 0.25 0.07 0.00 -0.01 0.00 0.00 57.00 57.30 3hrd n GLN 68 Cb 0.15 -1.50 0.23 0.00 1.02 0.00 0.00 30.24 30.14 3hrd n GLN 68 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hrd n ALA 69 N -1.47 2.47 -1.96 -1.58 0.00 -0.80 -4.86 120.51 112.31 3hrd n ALA 69 Ca 0.04 -0.56 -0.41 0.00 0.00 0.00 0.00 53.44 52.51 3hrd n ALA 69 Cb 0.15 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.55 3hrd n ALA 69 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hrd s ASP 70 N -1.19 7.08 -0.97 0.00 2.15 -0.95 -2.94 116.67 119.84 3hrd s ASP 70 Ca 0.26 2.30 0.00 0.00 0.43 0.00 0.00 52.55 55.54 3hrd s ASP 70 Cb 0.14 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 40.14 3hrd s ASP 70 CO 0.19 -0.35 0.00 -0.62 -0.17 0.00 0.00 175.17 174.22 3hrd n GLU 71 N 2.07 -1.25 -3.44 4.34 1.02 0.44 -4.96 120.64 118.87 3hrd n GLU 71 Ca 0.03 0.77 -0.20 0.00 -0.02 0.00 0.00 57.16 57.73 3hrd n GLU 71 Cb 0.44 -4.91 -0.02 0.00 -0.02 0.00 0.00 31.44 26.94 3hrd n GLU 71 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3hrd s SER 72 N -2.49 5.16 -0.26 1.62 1.04 -1.15 -4.94 113.70 112.68 3hrd s SER 72 Ca 0.00 -0.70 0.01 0.00 0.48 0.00 0.00 55.95 55.74 3hrd s SER 72 Cb 0.00 -0.51 0.05 0.00 0.10 0.00 0.00 66.02 65.66 3hrd s SER 72 CO 0.00 -0.72 -0.09 -0.89 0.98 0.00 0.00 173.24 172.51 3hrd s THR 73 N -2.47 2.40 -0.08 2.02 2.01 -1.26 -0.76 115.64 117.50 3hrd s THR 73 Ca 0.50 -1.44 0.02 0.00 0.31 0.00 0.00 61.69 61.08 3hrd s THR 73 Cb -0.05 -2.34 -0.02 0.00 0.01 0.00 0.00 72.50 70.10 3hrd s THR 73 CO 0.29 0.04 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.49 3hrd s ILE 74 N 1.18 3.03 -0.11 1.82 1.01 -0.30 -0.87 121.20 126.96 3hrd s ILE 74 Ca -0.06 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 59.89 3hrd s ILE 74 Cb -0.19 -2.21 0.02 0.00 0.01 0.00 0.00 42.46 40.09 3hrd s ILE 74 CO -0.05 0.57 -0.10 -0.63 0.00 0.00 0.00 174.94 174.72 3hrd s ILE 75 N -0.33 1.20 0.48 2.92 1.01 -0.59 -0.86 121.20 125.03 3hrd s ILE 75 Ca 0.03 -0.42 0.07 0.00 0.00 0.00 0.00 60.65 60.32 3hrd s ILE 75 Cb -0.13 -1.16 0.01 0.00 0.01 0.00 0.00 42.46 41.19 3hrd s ILE 75 CO 0.02 0.39 0.37 0.42 0.00 0.00 0.00 174.94 176.14 3hrd s THR 76 N 1.42 2.07 0.37 2.92 -4.23 -1.26 -1.46 115.64 115.48 3hrd s THR 76 Ca 0.01 -1.47 0.13 0.00 -1.18 0.00 0.00 61.69 59.17 3hrd s THR 76 Cb -0.13 -2.55 0.35 0.00 1.34 0.00 0.00 72.50 71.51 3hrd s THR 76 CO -0.06 0.00 1.83 0.25 -0.54 0.00 0.00 174.62 176.10 3hrd h LEU 77 N 0.94 0.56 -2.18 4.79 5.85 -1.90 0.20 115.31 123.58 3hrd h LEU 77 Ca -0.39 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.39 3hrd h LEU 77 Cb 1.28 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 3hrd h LEU 77 CO 0.59 0.22 -0.02 -0.33 -0.34 0.00 0.00 178.44 178.56 3hrd h GLU 78 N 0.56 0.00 -0.00 1.25 3.07 -1.98 -1.56 114.58 115.92 3hrd h GLU 78 Ca 0.51 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.37 3hrd h GLU 78 Cb 1.04 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.95 3hrd h GLU 78 CO -0.25 0.02 -0.04 0.41 -1.40 0.00 0.00 179.01 177.75 3hrd n GLY 79 N -1.36 -1.24 0.15 -3.84 0.00 0.71 -3.86 105.19 95.75 3hrd n GLY 79 Ca -0.03 -0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 3hrd n GLY 79 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hrd h VAL 80 N 0.11 1.36 -2.91 1.61 2.07 -1.29 -3.46 116.25 113.73 3hrd h VAL 80 Ca 0.00 -2.45 -0.59 0.00 0.82 0.00 0.00 66.70 64.48 3hrd h VAL 80 Cb 0.33 2.85 0.12 0.00 -1.52 0.00 0.00 31.29 33.07 3hrd h VAL 80 CO 0.00 0.73 0.17 0.00 0.02 0.00 0.00 177.57 178.49 3hrd n ALA 81 N -2.67 0.14 -2.63 1.67 0.00 -1.25 -4.59 120.51 111.18 3hrd n ALA 81 Ca -0.14 0.28 -0.41 0.00 0.00 0.00 0.00 53.44 53.18 3hrd n ALA 81 Cb 0.92 -2.07 -0.11 0.00 0.00 0.00 0.00 19.45 18.19 3hrd n ALA 81 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3hrd s GLU 82 N -1.86 3.14 -1.56 0.00 2.02 0.56 -4.51 118.70 116.48 3hrd s GLU 82 Ca 0.61 -0.88 -0.03 0.00 0.02 0.00 0.00 54.97 54.69 3hrd s GLU 82 Cb -0.60 -3.81 0.03 0.00 0.10 0.00 0.00 34.13 29.85 3hrd s GLU 82 CO 0.58 -0.60 0.18 -0.40 0.02 0.00 0.00 175.26 175.04 3hrd n ASP 83 N 5.08 0.25 0.00 -0.19 5.68 -1.26 0.14 116.55 126.25 3hrd n ASP 83 Ca -0.12 -1.21 0.00 0.00 -0.50 0.00 0.00 54.79 52.96 3hrd n ASP 83 Cb 0.48 -1.95 0.00 0.00 -1.14 0.00 0.00 41.12 38.51 3hrd n ASP 83 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hrd n GLY 84 N -2.26 1.09 3.67 6.12 0.00 -1.26 -5.03 105.19 107.51 3hrd n GLY 84 Ca -0.27 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 3hrd n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hrd s LYS 85 N -0.08 2.48 0.08 1.61 -0.14 0.12 -5.07 119.74 118.75 3hrd s LYS 85 Ca 0.00 -0.90 -0.31 0.00 -1.36 0.00 0.00 55.97 53.40 3hrd s LYS 85 Cb 0.00 -2.48 -0.09 0.00 -1.68 0.00 0.00 37.83 33.58 3hrd s LYS 85 CO 0.00 0.52 1.71 -2.14 -0.76 0.00 0.00 175.35 174.68 3hrd s PRO 86 N -2.41 4.18 1.19 -1.68 0.02 -1.26 -0.33 135.00 134.71 3hrd s PRO 86 Ca 0.26 2.42 -0.20 0.00 0.02 0.00 0.00 61.00 63.49 3hrd s PRO 86 Cb -0.11 -3.61 0.31 0.00 0.02 0.00 0.00 34.50 31.10 3hrd s PRO 86 CO 0.18 -0.77 0.78 -1.13 -0.33 0.00 0.00 177.00 175.73 3hrd n SER 87 N 5.68 -3.33 -0.11 2.53 3.41 -1.26 -4.61 113.62 115.93 3hrd n SER 87 Ca 0.17 -0.83 -0.10 0.00 -0.26 0.00 0.00 58.87 57.84 3hrd n SER 87 Cb 0.40 -0.84 -0.03 0.00 -0.26 0.00 0.00 64.21 63.48 3hrd n SER 87 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3hrd h LEU 88 N 0.00 0.50 -0.08 1.04 5.85 -1.95 -1.00 115.31 119.67 3hrd h LEU 88 Ca -0.34 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.14 3hrd h LEU 88 Cb 1.10 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 3hrd h LEU 88 CO 0.21 0.63 -0.06 0.25 -0.34 0.00 0.00 178.44 179.13 3hrd h LEU 89 N 0.34 -0.18 -1.22 2.25 5.85 -1.95 0.09 115.31 120.49 3hrd h LEU 89 Ca 0.09 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.89 3hrd h LEU 89 Cb 0.35 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 3hrd h LEU 89 CO 0.01 -0.08 0.54 1.56 -0.34 0.00 0.00 178.44 180.12 3hrd h GLN 90 N -0.06 0.99 -0.59 1.25 4.20 -1.86 -0.97 115.11 118.06 3hrd h GLN 90 Ca 0.05 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.60 3hrd h GLN 90 Cb 0.14 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 3hrd h GLN 90 CO -0.12 0.66 -0.02 0.37 -0.67 0.00 0.00 178.83 179.04 3hrd h GLN 91 N 1.02 1.06 -0.49 1.46 5.75 -0.46 -2.21 115.11 121.25 3hrd h GLN 91 Ca 0.32 -0.35 -0.05 0.00 -0.15 0.00 0.00 58.65 58.42 3hrd h GLN 91 Cb 0.01 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.46 3hrd h GLN 91 CO -0.09 1.05 0.10 0.00 -2.65 0.00 0.00 178.83 177.24 3hrd h PHE 93 N 0.67 1.04 0.22 0.00 0.04 -1.01 0.37 116.94 118.27 3hrd h PHE 93 Ca 0.15 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.94 3hrd h PHE 93 Cb 0.36 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 38.17 3hrd h PHE 93 CO 0.02 0.53 -0.11 -0.07 -0.60 0.00 0.00 178.31 178.09 3hrd h LEU 94 N 1.01 -0.25 -0.48 1.54 3.38 -0.85 -3.06 115.31 116.60 3hrd h LEU 94 Ca 0.40 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 58.16 3hrd h LEU 94 Cb 0.23 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3hrd h LEU 94 CO -0.15 -0.04 -0.46 -0.33 0.09 0.00 0.00 178.44 177.54 3hrd h GLU 95 N -0.45 0.00 0.00 1.13 5.08 -1.04 -3.29 114.58 116.00 3hrd h GLU 95 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3hrd h GLU 95 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3hrd h GLU 95 CO 0.05 0.46 0.00 0.00 -1.00 0.00 0.00 179.01 178.52 3hrd h ALA 96 N 1.54 1.00 0.00 3.43 0.00 -0.99 -3.47 119.26 120.77 3hrd h ALA 96 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hrd h ALA 96 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3hrd h ALA 96 CO 0.06 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.72 3hrd n GLY 97 N 0.78 0.66 0.00 0.00 0.00 -1.22 -4.89 105.19 100.52 3hrd n GLY 97 Ca 0.03 -0.24 0.03 0.00 0.00 0.00 0.00 46.02 45.85 3hrd n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hrd n ALA 98 N -0.11 2.03 -4.06 4.61 0.00 -1.16 -4.65 120.51 117.17 3hrd n ALA 98 Ca 0.00 -0.04 -0.31 0.00 0.00 0.00 0.00 53.44 53.08 3hrd n ALA 98 Cb 0.00 -1.11 -0.16 0.00 0.00 0.00 0.00 19.45 18.18 3hrd n ALA 98 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3hrd s VAL 99 N -2.00 1.83 0.00 0.00 1.01 -1.26 -4.64 120.40 115.33 3hrd s VAL 99 Ca 0.10 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.18 3hrd s VAL 99 Cb 0.05 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.69 3hrd s VAL 99 CO 0.08 0.40 0.00 0.00 0.00 0.00 0.00 175.10 175.58 3hrd n GLN 100 N 4.67 0.00 0.17 2.72 6.02 -1.26 -4.86 117.38 124.84 3hrd n GLN 100 Ca -0.18 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 56.86 3hrd n GLN 100 Cb 0.49 0.00 0.26 0.00 1.02 0.00 0.00 30.24 32.01 3hrd n GLN 100 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hrd n GLY 102 N 0.43 0.62 0.16 0.00 0.00 -1.26 -4.91 105.19 100.23 3hrd n GLY 102 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 3hrd n GLY 102 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3hrd h TYR 103 N 0.00 0.39 0.00 1.61 3.20 -2.01 -3.20 116.97 116.96 3hrd h TYR 103 Ca 0.00 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 61.70 3hrd h TYR 103 Cb 0.08 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.29 3hrd h TYR 103 CO 0.05 0.90 -0.66 0.00 -1.64 0.00 0.00 178.16 176.80 3hrd h THR 105 N 0.00 0.43 -0.08 0.00 2.02 -1.93 -1.73 112.91 111.62 3hrd h THR 105 Ca 0.00 -0.05 0.04 0.00 0.77 0.00 0.00 66.41 67.17 3hrd h THR 105 Cb 0.88 0.27 -0.05 0.00 -1.74 0.00 0.00 68.15 67.51 3hrd h THR 105 CO 0.00 0.03 -0.19 -0.65 0.37 0.00 0.00 175.52 175.07 3hrd h PRO 106 N 0.15 -0.26 -0.39 6.66 0.11 -1.78 -0.50 132.00 135.99 3hrd h PRO 106 Ca 0.39 0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.53 3hrd h PRO 106 Cb 0.67 0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.81 3hrd h PRO 106 CO -0.59 -0.17 0.24 0.78 -0.21 0.00 0.00 178.00 178.05 3hrd h GLY 107 N -0.27 0.54 0.37 -0.55 0.00 -1.64 -1.33 103.07 100.19 3hrd h GLY 107 Ca 0.08 -0.18 0.04 0.00 0.00 0.00 0.00 47.33 47.27 3hrd h GLY 107 CO -0.24 0.17 -0.23 -0.33 0.00 0.00 0.00 176.54 175.91 3hrd h MET 108 N 0.48 -0.31 -0.90 4.80 2.86 -0.98 -0.01 114.93 120.87 3hrd h MET 108 Ca 0.15 0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.84 3hrd h MET 108 Cb -0.01 0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.67 3hrd h MET 108 CO -0.06 -0.21 0.59 0.82 1.06 0.00 0.00 176.91 179.11 3hrd h ILE 109 N -0.32 1.18 -0.31 -1.22 2.04 -0.86 0.04 117.51 118.05 3hrd h ILE 109 Ca 0.08 -0.40 -0.10 0.00 1.00 0.00 0.00 64.86 65.44 3hrd h ILE 109 Cb 0.44 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 3hrd h ILE 109 CO -0.26 0.21 -0.23 -0.07 0.00 0.00 0.00 178.15 177.80 3hrd h LEU 110 N 1.17 0.61 -0.23 1.44 3.38 -0.66 0.15 115.31 121.17 3hrd h LEU 110 Ca 0.35 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 3hrd h LEU 110 Cb -0.05 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 3hrd h LEU 110 CO -0.10 0.83 -0.29 0.74 0.09 0.00 0.00 178.44 179.72 3hrd h THR 111 N 0.53 1.32 -0.28 0.22 2.02 -0.50 -0.58 112.91 115.64 3hrd h THR 111 Ca 0.08 -1.47 -0.08 0.00 0.77 0.00 0.00 66.41 65.71 3hrd h THR 111 Cb 0.69 1.73 -0.02 0.00 -1.74 0.00 0.00 68.15 68.81 3hrd h THR 111 CO 0.05 0.46 -0.17 0.00 0.37 0.00 0.00 175.52 176.23 3hrd h ALA 112 N 0.65 1.20 -0.16 6.16 0.00 -0.80 -1.95 119.26 124.37 3hrd h ALA 112 Ca 0.03 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 3hrd h ALA 112 Cb 0.86 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3hrd h ALA 112 CO 0.07 0.52 -0.34 -0.22 0.00 0.00 0.00 179.25 179.27 3hrd h LYS 113 N 0.45 0.51 -0.87 0.00 3.64 -0.59 -1.37 116.57 118.35 3hrd h LYS 113 Ca 0.08 -0.34 0.08 0.00 -1.27 0.00 0.00 60.65 59.20 3hrd h LYS 113 Cb 0.55 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.35 3hrd h LYS 113 CO 0.04 0.95 0.52 0.00 -2.27 0.00 0.00 179.45 178.69 3hrd h ALA 114 N 0.56 1.22 0.49 5.00 0.00 -0.94 0.50 119.26 126.09 3hrd h ALA 114 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3hrd h ALA 114 Cb 0.94 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3hrd h ALA 114 CO 0.07 0.21 -0.23 1.25 0.00 0.00 0.00 179.25 180.55 3hrd h LEU 115 N 0.91 -0.56 -1.95 0.00 5.85 -1.28 -3.12 115.31 115.18 3hrd h LEU 115 Ca 0.40 0.02 0.11 0.00 0.84 0.00 0.00 57.88 59.24 3hrd h LEU 115 Cb 0.28 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3hrd h LEU 115 CO -0.21 -0.35 0.45 -0.07 -0.34 0.00 0.00 178.44 177.92 3hrd h LEU 116 N -0.75 0.00 0.00 2.25 3.38 -1.00 0.50 115.31 119.69 3hrd h LEU 116 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3hrd h LEU 116 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3hrd h LEU 116 CO 0.11 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.11 3hrd n ASP 117 N -3.59 0.00 -0.03 -0.43 8.00 0.15 -3.35 116.55 117.30 3hrd n ASP 117 Ca 0.06 0.34 -0.04 0.00 0.71 0.00 0.00 54.79 55.87 3hrd n ASP 117 Cb 0.61 -0.44 -0.02 0.00 -0.02 0.00 0.00 41.12 41.25 3hrd n ASP 117 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3hrd n LYS 118 N -1.44 0.28 -3.79 -1.24 5.02 0.14 -4.92 118.16 112.20 3hrd n LYS 118 Ca 0.07 0.03 -0.30 0.00 -2.02 0.00 0.00 58.31 56.09 3hrd n LYS 118 Cb 0.26 -1.10 -0.14 0.00 -0.02 0.00 0.00 35.03 34.02 3hrd n LYS 118 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3hrd s ASN 119 N -4.46 4.05 0.32 4.39 2.47 0.63 -4.99 114.94 117.36 3hrd s ASN 119 Ca -0.07 -2.20 0.01 0.00 0.42 0.00 0.00 52.86 51.02 3hrd s ASN 119 Cb 0.02 -1.13 0.55 0.00 -1.45 0.00 0.00 41.25 39.24 3hrd s ASN 119 CO 0.12 -0.34 1.93 -0.65 -3.72 0.00 0.00 177.10 174.44 3hrd h PRO 120 N 7.38 0.79 -3.01 0.43 0.11 -1.81 -3.33 132.00 132.56 3hrd h PRO 120 Ca -0.07 -0.10 -0.62 0.00 0.11 0.00 0.00 66.00 65.32 3hrd h PRO 120 Cb 0.97 -0.15 -0.42 0.00 0.11 0.00 0.00 31.00 31.52 3hrd h PRO 120 CO 0.50 0.62 -0.58 -3.47 -0.21 0.00 0.00 178.00 174.86 3hrd n ASP 121 N -4.36 2.97 -4.91 -2.05 -0.08 -1.26 -4.79 116.55 102.07 3hrd n ASP 121 Ca 0.05 -3.20 -0.27 0.00 -1.51 0.00 0.00 54.79 49.85 3hrd n ASP 121 Cb 0.14 -0.75 0.01 0.00 2.34 0.00 0.00 41.12 42.86 3hrd n ASP 121 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 3hrd s PRO 122 N -1.49 3.27 0.41 -0.67 0.04 -1.25 -5.09 135.00 130.23 3hrd s PRO 122 Ca 0.26 0.09 -0.08 0.00 0.04 0.00 0.00 61.00 61.32 3hrd s PRO 122 Cb -0.03 -2.34 -0.05 0.00 0.04 0.00 0.00 34.50 32.12 3hrd s PRO 122 CO -0.16 -0.41 0.74 0.95 0.04 0.00 0.00 177.00 178.15 3hrd s THR 123 N -2.84 4.86 0.43 1.26 -4.23 -1.26 -4.90 115.64 108.96 3hrd s THR 123 Ca 0.50 0.39 0.16 0.00 -1.18 0.00 0.00 61.69 61.56 3hrd s THR 123 Cb -0.10 -3.77 0.35 0.00 1.34 0.00 0.00 72.50 70.32 3hrd s THR 123 CO 0.45 -0.59 1.92 0.44 -0.54 0.00 0.00 174.62 176.30 3hrd h ASP 124 N 1.00 0.39 -0.27 3.99 5.19 -1.99 0.11 116.42 124.85 3hrd h ASP 124 Ca -0.47 0.02 -0.12 0.00 -0.62 0.00 0.00 57.03 55.84 3hrd h ASP 124 Cb 1.19 -0.06 -0.00 0.00 0.18 0.00 0.00 39.33 40.64 3hrd h ASP 124 CO 0.63 0.20 -0.31 -0.08 -3.12 0.00 0.00 179.24 176.57 3hrd h GLU 125 N 0.42 0.68 -0.04 3.56 4.57 -1.99 -0.64 114.58 121.14 3hrd h GLU 125 Ca 0.37 -0.37 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 3hrd h GLU 125 Cb 0.84 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.44 3hrd h GLU 125 CO -0.12 0.99 -0.15 0.93 -1.18 0.00 0.00 179.01 179.48 3hrd h GLU 126 N 0.41 0.06 -0.10 1.92 5.08 -1.37 -1.47 114.58 119.11 3hrd h GLU 126 Ca 0.04 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.32 3hrd h GLU 126 Cb 0.88 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.12 3hrd h GLU 126 CO 0.07 0.22 -0.20 0.82 -1.00 0.00 0.00 179.01 178.93 3hrd h ILE 127 N 0.06 1.39 0.81 3.13 2.04 -0.59 -2.13 117.51 122.22 3hrd h ILE 127 Ca 0.01 -1.47 -0.04 0.00 1.00 0.00 0.00 64.86 64.36 3hrd h ILE 127 Cb 0.31 2.10 -0.00 0.00 -0.74 0.00 0.00 36.82 38.49 3hrd h ILE 127 CO 0.02 0.42 -0.50 0.74 0.00 0.00 0.00 178.15 178.84 3hrd h THR 128 N -0.12 0.00 -0.69 -0.27 2.02 -0.53 -2.25 112.91 111.06 3hrd h THR 128 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 3hrd h THR 128 Cb 0.78 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.15 3hrd h THR 128 CO 0.04 0.00 0.45 0.58 0.37 0.00 0.00 175.52 176.97 3hrd h VAL 129 N -1.22 0.98 -0.76 3.16 2.07 -1.40 -1.03 116.25 118.04 3hrd h VAL 129 Ca -0.11 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.21 3hrd h VAL 129 Cb 0.98 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 3hrd h VAL 129 CO 0.11 0.12 0.50 0.00 0.02 0.00 0.00 177.57 178.32 3hrd h ALA 130 N 1.64 1.49 -0.51 1.67 0.00 -1.05 -2.68 119.26 119.81 3hrd h ALA 130 Ca 0.31 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3hrd h ALA 130 Cb 0.36 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3hrd h ALA 130 CO -0.10 0.46 0.00 -1.33 0.00 0.00 0.00 179.25 178.28 3hrd n MET 131 N -4.43 2.63 0.00 0.00 2.81 -0.59 -4.51 117.12 113.03 3hrd n MET 131 Ca 0.09 -2.32 0.03 0.00 -1.81 0.00 0.00 57.70 53.69 3hrd n MET 131 Cb 0.06 -1.44 0.16 0.00 -0.71 0.00 0.00 33.22 31.29 3hrd n MET 131 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3hrd n SER 132 N 1.19 0.00 -0.35 7.83 3.41 -0.49 -1.53 113.62 123.68 3hrd n SER 132 Ca 0.18 0.18 0.13 0.00 -0.26 0.00 0.00 58.87 59.10 3hrd n SER 132 Cb 0.54 -0.27 0.41 0.00 -0.26 0.00 0.00 64.21 64.63 3hrd n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hrd n GLY 133 N -0.74 -0.35 3.27 5.00 0.00 -1.26 -4.82 105.19 106.28 3hrd n GLY 133 Ca 0.03 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 3hrd n GLY 133 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hrd s ASN 134 N -2.32 3.83 -0.10 1.61 0.01 -0.58 -3.59 114.94 113.79 3hrd s ASN 134 Ca 0.29 -0.46 -0.10 0.00 -0.71 0.00 0.00 52.86 51.88 3hrd s ASN 134 Cb 0.20 -1.62 -0.05 0.00 0.41 0.00 0.00 41.25 40.20 3hrd s ASN 134 CO 0.45 0.04 0.23 -0.76 -1.51 0.00 0.00 177.10 175.55 3hrd s LEU 135 N 1.09 4.39 -0.01 0.60 1.43 0.54 -4.99 118.68 121.73 3hrd s LEU 135 Ca 0.00 0.59 0.04 0.00 -1.03 0.00 0.00 54.13 53.74 3hrd s LEU 135 Cb -0.14 -2.24 -0.01 0.00 0.03 0.00 0.00 46.19 43.82 3hrd s LEU 135 CO -0.03 0.34 -0.14 0.00 0.23 0.00 0.00 176.35 176.74 3hrd n ARG 137 N 2.66 1.90 -0.12 0.00 3.00 -1.26 -4.67 116.66 118.17 3hrd n ARG 137 Ca -0.14 -0.67 -0.24 0.00 -0.00 0.00 0.00 57.85 56.79 3hrd n ARG 137 Cb 0.55 -1.11 -0.08 0.00 0.00 0.00 0.00 32.46 31.82 3hrd n ARG 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3hrd h THR 139 N -1.00 1.03 0.00 0.00 1.35 -1.94 -3.47 112.91 108.88 3hrd h THR 139 Ca -0.49 -2.50 0.00 0.00 -0.55 0.00 0.00 66.41 62.86 3hrd h THR 139 Cb 1.43 2.49 0.00 0.00 -1.73 0.00 0.00 68.15 70.33 3hrd h THR 139 CO -0.30 0.59 0.00 0.61 -0.25 0.00 0.00 175.52 176.17 3hrd n GLY 140 N 1.28 0.75 4.34 5.82 0.00 -1.26 -3.95 105.19 112.16 3hrd n GLY 140 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hrd n GLY 140 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hrd n TYR 141 N -2.41 0.00 0.00 1.61 4.01 -1.26 -4.88 117.16 114.23 3hrd n TYR 141 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3hrd n TYR 141 Cb 0.00 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 38.86 3hrd n TYR 141 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3hrd n ILE 142 N -1.61 0.00 0.30 -0.72 2.08 -1.25 -1.80 119.36 116.35 3hrd n ILE 142 Ca 0.00 1.44 0.19 0.00 0.56 0.00 0.00 62.75 64.94 3hrd n ILE 142 Cb 0.00 -2.08 0.95 0.00 -0.75 0.00 0.00 39.64 37.76 3hrd n ILE 142 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 3hrd h LYS 143 N 0.00 0.00 -0.05 0.38 1.57 -1.90 -1.74 116.57 114.83 3hrd h LYS 143 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3hrd h LYS 143 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3hrd h LYS 143 CO 0.00 0.00 -0.11 0.82 -0.57 0.00 0.00 179.45 179.59 3hrd h ILE 144 N 0.00 1.43 -0.37 1.86 2.04 -1.70 -2.47 117.51 118.30 3hrd h ILE 144 Ca 0.00 -1.44 0.02 0.00 1.00 0.00 0.00 64.86 64.44 3hrd h ILE 144 Cb 0.11 2.25 -0.03 0.00 -0.74 0.00 0.00 36.82 38.42 3hrd h ILE 144 CO 0.00 0.40 0.21 -0.74 0.00 0.00 0.00 178.15 178.01 3hrd h HIS 145 N -0.34 0.39 -1.00 1.37 2.76 -0.54 -1.95 115.15 115.83 3hrd h HIS 145 Ca 0.00 0.01 0.16 0.00 -2.20 0.00 0.00 60.37 58.34 3hrd h HIS 145 Cb 0.70 -0.12 -0.10 0.00 1.55 0.00 0.00 27.41 29.44 3hrd h HIS 145 CO 0.12 0.22 0.62 0.00 -1.30 0.00 0.00 177.93 177.59 3hrd h ALA 146 N 1.18 1.60 -0.53 5.26 0.00 -1.33 0.62 119.26 126.07 3hrd h ALA 146 Ca 0.15 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3hrd h ALA 146 Cb 0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3hrd h ALA 146 CO -0.08 0.08 0.11 0.00 0.00 0.00 0.00 179.25 179.36 3hrd h ALA 147 N 1.59 1.21 -0.16 0.00 0.00 -0.87 0.55 119.26 121.57 3hrd h ALA 147 Ca 0.54 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 3hrd h ALA 147 Cb 0.70 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3hrd h ALA 147 CO -0.32 0.54 -0.21 0.28 0.00 0.00 0.00 179.25 179.54 3hrd h VAL 148 N 0.78 1.35 -0.86 0.00 2.07 -0.66 -0.45 116.25 118.47 3hrd h VAL 148 Ca 0.17 -1.41 -0.02 0.00 0.82 0.00 0.00 66.70 66.27 3hrd h VAL 148 Cb 0.31 1.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.92 3hrd h VAL 148 CO 0.00 0.42 0.48 -0.09 0.02 0.00 0.00 177.57 178.40 3hrd h ARG 149 N 0.07 1.20 -0.17 1.57 9.65 -0.69 -1.25 114.38 124.76 3hrd h ARG 149 Ca 0.02 -0.13 0.00 0.00 -1.10 0.00 0.00 59.98 58.77 3hrd h ARG 149 Cb 0.77 -0.24 -0.01 0.00 -1.39 0.00 0.00 29.97 29.10 3hrd h ARG 149 CO 0.05 0.87 0.10 -0.92 2.80 0.00 0.00 179.97 182.87 3hrd h TYR 150 N 1.21 0.20 -0.16 2.20 3.20 0.28 -2.04 116.97 121.86 3hrd h TYR 150 Ca 0.31 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.18 3hrd h TYR 150 Cb 0.02 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 3hrd h TYR 150 CO 0.01 0.12 0.09 0.00 -1.64 0.00 0.00 178.16 176.74 3hrd h ALA 151 N 1.07 0.20 -0.44 1.82 0.00 -0.53 -2.36 119.26 119.03 3hrd h ALA 151 Ca 0.06 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.00 3hrd h ALA 151 Cb -0.02 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 3hrd h ALA 151 CO -0.02 -0.28 0.10 0.28 0.00 0.00 0.00 179.25 179.32 3hrd h VAL 152 N 0.17 0.78 -0.12 0.00 2.07 -1.10 0.17 116.25 118.23 3hrd h VAL 152 Ca 0.06 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.51 3hrd h VAL 152 Cb 0.04 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 3hrd h VAL 152 CO -0.01 0.04 0.02 -0.33 0.02 0.00 0.00 177.57 177.31 3hrd h GLU 153 N 0.23 0.07 0.00 1.57 4.39 -1.22 0.56 114.58 120.19 3hrd h GLU 153 Ca 0.21 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.91 3hrd h GLU 153 Cb 0.26 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 3hrd h GLU 153 CO -0.27 0.05 0.00 0.00 -1.16 0.00 0.00 179.01 177.62 3hrd h ARG 154 N 0.07 0.00 -0.00 2.33 3.08 -0.91 -0.78 114.38 118.18 3hrd h ARG 154 Ca 0.05 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.94 3hrd h ARG 154 Cb 0.04 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 3hrd h ARG 154 CO -0.07 0.00 -0.75 0.00 -1.07 0.00 0.00 179.97 178.08 3hrd h ALA 156 N 1.24 -0.83 0.00 0.00 0.00 -0.48 -3.51 119.26 115.69 3hrd h ALA 156 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3hrd h ALA 156 Cb 1.33 0.86 0.00 0.00 0.00 0.00 0.00 17.79 19.97 3hrd h ALA 156 CO 0.10 -0.95 0.00 0.09 0.00 0.00 0.00 179.25 178.48