#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1acd n ASP 2 N 0.00 0.00 0.10 1.61 8.00 -1.26 -3.37 116.55 121.63 1acd n ASP 2 Ca 0.00 -0.57 -0.05 0.00 0.71 0.00 0.00 54.79 54.89 1acd n ASP 2 Cb 0.00 -0.02 0.10 0.00 -0.02 0.00 0.00 41.12 41.18 1acd n ASP 2 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1acd h ALA 3 N 3.20 0.81 0.00 2.24 0.00 -2.03 -3.29 119.26 120.20 1acd h ALA 3 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1acd h ALA 3 Cb 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1acd h ALA 3 CO 0.00 0.79 -1.66 1.19 0.00 0.00 0.00 179.25 179.56 1acd n PHE 4 N -3.80 0.19 -1.68 0.00 3.01 -1.22 -4.97 117.46 109.00 1acd n PHE 4 Ca -0.02 0.06 -0.46 0.00 1.01 0.00 0.00 57.45 58.03 1acd n PHE 4 Cb 0.66 -0.53 -0.04 0.00 -0.01 0.00 0.00 39.48 39.56 1acd n PHE 4 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1acd n VAL 5 N -2.24 0.38 -2.00 -4.37 0.31 -1.24 -4.65 118.33 104.52 1acd n VAL 5 Ca -0.02 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 1acd n VAL 5 Cb 0.54 -1.86 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 1acd n VAL 5 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1acd n GLY 6 N 4.09 -0.32 3.35 2.92 0.00 -0.31 -4.99 105.19 109.92 1acd n GLY 6 Ca 0.20 -1.55 -0.33 0.00 0.00 0.00 0.00 46.02 44.34 1acd n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1acd s THR 7 N -2.47 2.82 0.03 2.61 2.01 -1.26 -1.32 115.64 118.06 1acd s THR 7 Ca 0.00 -0.75 0.07 0.00 0.31 0.00 0.00 61.69 61.31 1acd s THR 7 Cb 0.00 -2.16 -0.02 0.00 0.01 0.00 0.00 72.50 70.33 1acd s THR 7 CO 0.00 0.54 -0.19 0.26 -0.69 0.00 0.00 174.62 174.53 1acd s TRP 8 N 0.24 1.71 -0.04 4.92 0.52 0.34 -2.24 118.94 124.39 1acd s TRP 8 Ca -0.11 -0.36 0.04 0.00 0.02 0.00 0.00 56.10 55.69 1acd s TRP 8 Cb -0.16 -1.04 -0.03 0.00 -1.15 0.00 0.00 33.47 31.10 1acd s TRP 8 CO 0.06 0.06 -0.14 -1.59 0.02 0.00 0.00 176.95 175.36 1acd s LYS 9 N -1.02 2.48 0.43 4.98 -2.85 0.11 -1.30 119.74 122.57 1acd s LYS 9 Ca 0.07 -0.71 -0.22 0.00 -1.00 0.00 0.00 55.97 54.10 1acd s LYS 9 Cb -0.08 -2.38 -0.09 0.00 -2.06 0.00 0.00 37.83 33.21 1acd s LYS 9 CO 0.01 0.62 1.02 -1.17 0.10 0.00 0.00 175.35 175.93 1acd s LEU 10 N -0.83 4.02 0.00 2.77 2.96 -1.22 -0.89 118.68 125.48 1acd s LEU 10 Ca 0.12 1.93 0.00 0.00 -0.22 0.00 0.00 54.13 55.97 1acd s LEU 10 Cb -0.11 -4.36 0.00 0.00 0.50 0.00 0.00 46.19 42.22 1acd s LEU 10 CO 0.01 -0.55 0.00 1.33 -1.32 0.00 0.00 176.35 175.83 1acd n VAL 11 N -0.43 0.00 -4.06 1.68 0.24 -0.17 -4.90 118.33 110.69 1acd n VAL 11 Ca 0.07 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.28 1acd n VAL 11 Cb 0.51 -0.43 -0.09 0.00 -1.47 0.00 0.00 33.84 32.36 1acd n VAL 11 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1acd s SER 12 N -1.90 0.26 -0.22 -1.34 1.04 -1.17 -5.00 113.70 105.37 1acd s SER 12 Ca 0.00 -1.03 -0.18 0.00 0.48 0.00 0.00 55.95 55.22 1acd s SER 12 Cb 0.00 0.32 0.06 0.00 0.10 0.00 0.00 66.02 66.50 1acd s SER 12 CO 0.00 -0.74 0.58 -0.55 0.98 0.00 0.00 173.24 173.51 1acd s SER 13 N -2.99 -0.66 -0.03 7.02 0.15 -1.26 -2.63 113.70 113.30 1acd s SER 13 Ca 0.17 1.20 -0.01 0.00 0.70 0.00 0.00 55.95 58.02 1acd s SER 13 Cb 0.06 1.17 0.03 0.00 -1.71 0.00 0.00 66.02 65.58 1acd s SER 13 CO -0.02 -0.21 0.07 -1.61 1.20 0.00 0.00 173.24 172.67 1acd s GLU 14 N 0.73 -0.00 -1.46 5.44 2.02 0.15 -4.87 118.70 120.70 1acd s GLU 14 Ca -0.03 0.25 -0.04 0.00 0.02 0.00 0.00 54.97 55.17 1acd s GLU 14 Cb -0.05 -0.23 0.02 0.00 0.10 0.00 0.00 34.13 33.96 1acd s GLU 14 CO -0.05 -0.17 0.35 -1.71 0.02 0.00 0.00 175.26 173.70 1acd n ASN 15 N 4.22 -5.21 -0.07 -0.19 5.15 -1.26 -1.67 115.26 116.22 1acd n ASN 15 Ca -0.27 -0.17 -0.14 0.00 -0.60 0.00 0.00 54.58 53.40 1acd n ASN 15 Cb 0.50 -4.28 -0.05 0.00 -0.53 0.00 0.00 39.78 35.42 1acd n ASN 15 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1acd h PHE 16 N -0.78 0.76 -0.73 1.20 3.57 -1.89 -3.06 116.94 116.01 1acd h PHE 16 Ca -0.46 -0.25 -0.02 0.00 3.53 0.00 0.00 57.97 60.77 1acd h PHE 16 Cb 1.33 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.88 1acd h PHE 16 CO 0.60 0.98 0.36 0.22 -2.23 0.00 0.00 178.31 178.23 1acd h ASP 17 N 0.32 0.93 0.58 0.41 1.82 -1.96 -1.36 116.42 117.16 1acd h ASP 17 Ca 0.03 -0.10 -0.11 0.00 -0.39 0.00 0.00 57.03 56.46 1acd h ASP 17 Cb 0.89 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 40.65 1acd h ASP 17 CO 0.07 0.78 -0.51 0.44 -1.61 0.00 0.00 179.24 178.41 1acd h ASP 18 N 1.03 0.00 -0.36 2.28 5.19 -1.97 -0.61 116.42 121.98 1acd h ASP 18 Ca 0.25 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.53 1acd h ASP 18 Cb 0.09 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.59 1acd h ASP 18 CO -0.03 0.51 -0.28 0.22 -3.12 0.00 0.00 179.24 176.53 1acd h TYR 19 N 0.00 0.98 -0.22 4.55 3.20 -1.30 -2.35 116.97 121.82 1acd h TYR 19 Ca -0.01 -0.28 -0.03 0.00 3.14 0.00 0.00 58.73 61.56 1acd h TYR 19 Cb 0.94 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.98 1acd h TYR 19 CO 0.00 1.06 0.03 0.52 -1.64 0.00 0.00 178.16 178.13 1acd h MET 20 N 0.62 0.37 -0.58 1.82 2.86 -1.05 -2.64 114.93 116.33 1acd h MET 20 Ca 0.07 -0.10 0.09 0.00 -2.06 0.00 0.00 59.70 57.69 1acd h MET 20 Cb 0.86 -0.04 -0.07 0.00 0.06 0.00 0.00 31.60 32.41 1acd h MET 20 CO 0.07 0.52 0.21 0.87 1.06 0.00 0.00 176.91 179.64 1acd h LYS 21 N 0.17 0.38 -0.77 1.72 1.57 -1.08 -1.95 116.57 116.61 1acd h LYS 21 Ca 0.07 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1acd h LYS 21 Cb 0.33 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 1acd h LYS 21 CO 0.01 0.25 0.51 1.49 -0.57 0.00 0.00 179.45 181.14 1acd h GLU 22 N 0.39 0.98 -0.00 3.15 4.57 -1.26 -1.81 114.58 120.60 1acd h GLU 22 Ca 0.29 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.41 1acd h GLU 22 Cb 0.34 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1acd h GLU 22 CO -0.29 0.65 -0.05 1.33 -1.18 0.00 0.00 179.01 179.47 1acd n VAL 23 N -4.43 0.00 -0.52 0.32 0.24 -0.79 -4.94 118.33 108.21 1acd n VAL 23 Ca 0.09 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 1acd n VAL 23 Cb 0.06 -0.42 0.00 0.00 -1.47 0.00 0.00 33.84 32.01 1acd n VAL 23 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1acd n GLY 24 N 1.49 0.82 3.77 7.63 0.00 -0.68 -5.06 105.19 113.16 1acd n GLY 24 Ca 0.07 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.22 1acd n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1acd s VAL 25 N -2.00 3.01 0.62 1.61 1.01 -1.02 -4.97 120.40 118.65 1acd s VAL 25 Ca 0.00 1.00 -0.18 0.00 0.00 0.00 0.00 61.98 62.79 1acd s VAL 25 Cb 0.00 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 1acd s VAL 25 CO 0.00 0.23 1.25 -0.83 0.00 0.00 0.00 175.10 175.75 1acd s GLY 26 N -0.68 2.81 0.15 4.51 0.00 -1.26 -4.75 107.32 108.10 1acd s GLY 26 Ca 0.48 1.12 -0.26 0.00 0.00 0.00 0.00 44.72 46.06 1acd s GLY 26 CO 0.48 1.53 1.59 -2.75 0.00 0.00 0.00 173.10 173.94 1acd h PHE 27 N 0.73 -1.11 -0.26 1.90 3.04 -2.00 -0.02 116.94 119.22 1acd h PHE 27 Ca -0.51 0.06 -0.00 0.00 3.98 0.00 0.00 57.97 61.50 1acd h PHE 27 Cb 1.32 0.53 -0.01 0.00 2.56 0.00 0.00 35.95 40.34 1acd h PHE 27 CO 0.44 -0.43 0.15 0.00 -2.02 0.00 0.00 178.31 176.45 1acd h ALA 28 N 0.42 1.79 0.10 2.41 0.00 -1.99 -1.82 119.26 120.17 1acd h ALA 28 Ca 0.12 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.74 1acd h ALA 28 Cb 0.58 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1acd h ALA 28 CO -0.49 0.19 -1.17 1.15 0.00 0.00 0.00 179.25 178.93 1acd h THR 29 N 0.35 1.52 -0.09 0.00 2.02 -1.69 -2.81 112.91 112.21 1acd h THR 29 Ca 0.09 -3.03 -0.03 0.00 0.77 0.00 0.00 66.41 64.22 1acd h THR 29 Cb -0.01 2.86 -0.00 0.00 -1.74 0.00 0.00 68.15 69.26 1acd h THR 29 CO -0.02 0.88 -0.04 0.03 0.37 0.00 0.00 175.52 176.74 1acd h ARG 30 N 0.08 0.19 -0.90 6.66 3.08 -0.75 0.60 114.38 123.33 1acd h ARG 30 Ca -0.11 -0.08 0.16 0.00 0.07 0.00 0.00 59.98 60.02 1acd h ARG 30 Cb 1.89 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.86 1acd h ARG 30 CO 0.19 0.55 0.58 -0.22 -1.07 0.00 0.00 179.97 180.00 1acd h LYS 31 N -0.18 0.62 0.02 0.04 3.64 -1.43 -1.53 116.57 117.74 1acd h LYS 31 Ca 0.02 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1acd h LYS 31 Cb 0.50 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1acd h LYS 31 CO 0.01 0.41 -0.01 0.22 -2.27 0.00 0.00 179.45 177.81 1acd h ASP 32 N 0.64 -0.02 -0.33 4.20 3.58 -1.31 -3.29 116.42 119.87 1acd h ASP 32 Ca 0.47 -0.74 0.10 0.00 0.42 0.00 0.00 57.03 57.28 1acd h ASP 32 Cb 0.84 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.88 1acd h ASP 32 CO -0.22 0.79 0.24 0.00 -2.88 0.00 0.00 179.24 177.18 1acd h ALA 33 N -0.07 2.30 0.00 -0.78 0.00 -0.57 -1.94 119.26 118.19 1acd h ALA 33 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1acd h ALA 33 Cb 0.76 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1acd h ALA 33 CO 0.00 -0.42 -0.23 0.78 0.00 0.00 0.00 179.25 179.39 1acd h GLY 34 N 0.00 0.00 0.99 0.00 0.00 -1.40 -3.28 103.07 99.37 1acd h GLY 34 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1acd h GLY 34 CO -0.00 0.00 -0.19 1.03 0.00 0.00 0.00 176.54 177.38 1acd n MET 35 N -2.39 0.48 -4.13 4.80 2.00 -0.73 -4.90 117.12 112.25 1acd n MET 35 Ca 0.04 -0.19 -0.29 0.00 0.00 0.00 0.00 57.70 57.26 1acd n MET 35 Cb 0.46 -1.50 -0.08 0.00 0.00 0.00 0.00 33.22 32.11 1acd n MET 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1acd s ALA 36 N -2.65 3.33 -0.55 3.04 0.00 -1.24 -5.09 121.76 118.59 1acd s ALA 36 Ca 0.23 -1.15 0.01 0.00 0.00 0.00 0.00 51.96 51.05 1acd s ALA 36 Cb 0.19 -1.20 0.14 0.00 0.00 0.00 0.00 23.12 22.25 1acd s ALA 36 CO 0.53 0.66 0.32 0.15 0.00 0.00 0.00 175.76 177.42 1acd s LYS 37 N -2.47 2.19 1.03 0.00 1.02 -1.26 -5.04 119.74 115.21 1acd s LYS 37 Ca 0.27 -2.56 -0.12 0.00 0.02 0.00 0.00 55.97 53.58 1acd s LYS 37 Cb -0.11 -3.48 0.21 0.00 -0.52 0.00 0.00 37.83 33.93 1acd s LYS 37 CO 0.19 -1.13 1.08 -2.14 -0.92 0.00 0.00 175.35 172.43 1acd s PRO 38 N -0.16 0.14 -0.04 -1.68 0.02 -1.26 -4.81 135.00 127.20 1acd s PRO 38 Ca 0.17 1.00 0.07 0.00 0.02 0.00 0.00 61.00 62.26 1acd s PRO 38 Cb -0.23 -1.66 -0.01 0.00 0.02 0.00 0.00 34.50 32.61 1acd s PRO 38 CO -0.02 -3.06 -0.24 -0.80 -0.33 0.00 0.00 177.00 172.56 1acd s ASN 39 N -2.81 2.85 -0.24 2.53 0.02 -0.93 -3.45 114.94 112.91 1acd s ASN 39 Ca 0.67 -0.46 -0.04 0.00 -1.02 0.00 0.00 52.86 52.01 1acd s ASN 39 Cb -0.22 -0.56 0.00 0.00 0.02 0.00 0.00 41.25 40.48 1acd s ASN 39 CO 0.61 0.26 -0.03 -0.32 0.02 0.00 0.00 177.10 177.64 1acd s MET 40 N -0.33 3.22 -0.25 -0.60 1.75 -0.42 -1.66 119.30 121.00 1acd s MET 40 Ca 0.02 -0.73 -0.04 0.00 -1.25 0.00 0.00 55.69 53.69 1acd s MET 40 Cb -0.11 -3.06 0.01 0.00 2.84 0.00 0.00 34.83 34.50 1acd s MET 40 CO 0.01 -0.28 -0.01 0.42 -0.65 0.00 0.00 175.02 174.51 1acd s ILE 41 N 1.45 3.33 -0.09 10.11 1.01 0.09 -0.51 121.20 136.59 1acd s ILE 41 Ca 0.04 -0.79 0.04 0.00 0.00 0.00 0.00 60.65 59.94 1acd s ILE 41 Cb -0.15 -2.65 -0.01 0.00 0.01 0.00 0.00 42.46 39.66 1acd s ILE 41 CO -0.03 0.22 -0.20 -0.63 0.00 0.00 0.00 174.94 174.30 1acd s ILE 42 N 1.42 2.44 0.16 2.92 1.01 -0.44 -1.53 121.20 127.18 1acd s ILE 42 Ca 0.02 -0.91 -0.09 0.00 0.00 0.00 0.00 60.65 59.68 1acd s ILE 42 Cb -0.16 -1.95 -0.01 0.00 0.01 0.00 0.00 42.46 40.35 1acd s ILE 42 CO -0.02 0.56 0.27 -0.94 0.00 0.00 0.00 174.94 174.81 1acd s SER 43 N 0.04 0.05 -0.00 3.58 1.04 -0.59 -1.16 113.70 116.66 1acd s SER 43 Ca -0.08 -0.87 -0.00 0.00 0.48 0.00 0.00 55.95 55.48 1acd s SER 43 Cb -0.15 0.42 -0.00 0.00 0.10 0.00 0.00 66.02 66.39 1acd s SER 43 CO 0.05 -0.88 0.00 0.68 0.98 0.00 0.00 173.24 174.08 1acd s VAL 44 N -3.96 0.01 -0.30 5.02 -7.23 -1.26 -1.36 120.40 111.32 1acd s VAL 44 Ca 0.17 -0.08 -0.03 0.00 -1.81 0.00 0.00 61.98 60.23 1acd s VAL 44 Cb 0.04 -0.04 0.10 0.00 0.56 0.00 0.00 36.38 37.03 1acd s VAL 44 CO -0.01 -0.05 0.12 0.20 -0.31 0.00 0.00 175.10 175.05 1acd s ASN 45 N -0.13 3.73 1.42 4.85 0.01 -0.56 -5.02 114.94 119.25 1acd s ASN 45 Ca -0.01 -1.43 0.00 0.00 -0.71 0.00 0.00 52.86 50.71 1acd s ASN 45 Cb -0.01 -0.56 0.00 0.00 0.41 0.00 0.00 41.25 41.09 1acd s ASN 45 CO -0.00 -0.43 0.00 0.61 -1.51 0.00 0.00 177.10 175.77 1acd n GLY 46 N 5.09 2.06 1.18 0.66 0.00 -1.26 -2.15 105.19 110.76 1acd n GLY 46 Ca -0.04 -0.39 0.10 0.00 0.00 0.00 0.00 46.02 45.69 1acd n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1acd n ASP 47 N 6.85 3.44 -4.51 1.61 5.75 -1.26 -4.88 116.55 123.55 1acd n ASP 47 Ca 0.00 -2.06 -0.35 0.00 -0.01 0.00 0.00 54.79 52.37 1acd n ASP 47 Cb 0.00 -0.43 -0.12 0.00 -1.03 0.00 0.00 41.12 39.54 1acd n ASP 47 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1acd s LEU 48 N -1.10 3.47 -0.01 -2.12 2.96 -0.91 -4.60 118.68 116.36 1acd s LEU 48 Ca 0.42 -0.12 -0.00 0.00 -0.22 0.00 0.00 54.13 54.21 1acd s LEU 48 Cb 0.23 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.99 1acd s LEU 48 CO 0.27 0.08 0.05 -0.69 -1.32 0.00 0.00 176.35 174.74 1acd s VAL 49 N 0.94 4.55 -0.05 1.68 1.01 0.91 -1.49 120.40 127.95 1acd s VAL 49 Ca 0.03 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1acd s VAL 49 Cb -0.14 -3.06 0.02 0.00 0.00 0.00 0.00 36.38 33.20 1acd s VAL 49 CO 0.02 0.38 -0.06 -0.89 0.00 0.00 0.00 175.10 174.55 1acd s THR 50 N -1.14 0.69 -0.09 3.92 2.01 -0.46 -0.56 115.64 120.00 1acd s THR 50 Ca 0.21 -0.21 -0.00 0.00 0.31 0.00 0.00 61.69 62.00 1acd s THR 50 Cb -0.12 -0.68 0.02 0.00 0.01 0.00 0.00 72.50 71.73 1acd s THR 50 CO 0.12 0.26 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.61 1acd s ILE 51 N 0.84 0.88 -0.02 1.82 1.01 -0.54 -1.55 121.20 123.64 1acd s ILE 51 Ca -0.12 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.31 1acd s ILE 51 Cb -0.15 -0.90 0.01 0.00 0.01 0.00 0.00 42.46 41.43 1acd s ILE 51 CO 0.01 0.33 -0.04 0.00 0.00 0.00 0.00 174.94 175.24 1acd s ARG 52 N 1.50 0.52 -0.17 2.79 1.70 -0.58 -0.58 118.95 124.14 1acd s ARG 52 Ca 0.00 -0.11 -0.01 0.00 -0.47 0.00 0.00 55.73 55.14 1acd s ARG 52 Cb -0.13 -0.55 -0.01 0.00 -0.57 0.00 0.00 34.95 33.69 1acd s ARG 52 CO -0.05 0.01 -0.11 -1.54 -1.08 0.00 0.00 175.30 172.53 1acd s SER 53 N 0.41 3.96 0.19 -2.89 1.04 -1.13 -0.73 113.70 114.54 1acd s SER 53 Ca -0.05 -0.40 -0.06 0.00 0.48 0.00 0.00 55.95 55.92 1acd s SER 53 Cb -0.08 -1.63 -0.06 0.00 0.10 0.00 0.00 66.02 64.35 1acd s SER 53 CO -0.00 0.08 0.45 -1.61 0.98 0.00 0.00 173.24 173.14 1acd s GLU 54 N 0.86 3.68 0.03 4.02 0.41 -0.67 -2.83 118.70 124.20 1acd s GLU 54 Ca -0.03 0.04 -0.28 0.00 -0.41 0.00 0.00 54.97 54.29 1acd s GLU 54 Cb -0.15 -2.76 0.07 0.00 -1.78 0.00 0.00 34.13 29.51 1acd s GLU 54 CO 0.00 0.39 0.66 0.45 -0.49 0.00 0.00 175.26 176.27 1acd s SER 55 N -2.50 -0.61 0.00 -0.19 0.15 -1.18 -2.18 113.70 107.18 1acd s SER 55 Ca 0.43 0.41 0.00 0.00 0.70 0.00 0.00 55.95 57.49 1acd s SER 55 Cb -0.12 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 1acd s SER 55 CO 0.24 -0.74 0.15 0.35 1.20 0.00 0.00 173.24 174.43 1acd n THR 56 N 0.37 0.00 0.13 6.45 -2.24 -1.26 -3.95 114.28 113.77 1acd n THR 56 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1acd n THR 56 Cb 0.60 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 1acd n THR 56 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1acd n HIS 57 N -0.16 -3.59 -3.52 4.78 1.44 -1.26 -5.11 115.22 107.80 1acd n HIS 57 Ca 0.00 0.87 -0.38 0.00 -2.01 0.00 0.00 57.72 56.20 1acd n HIS 57 Cb 0.02 2.36 -0.09 0.00 0.12 0.00 0.00 29.99 32.40 1acd n HIS 57 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 1acd s LYS 58 N -2.00 4.07 -0.08 -1.40 2.47 -1.25 -5.07 119.74 116.47 1acd s LYS 58 Ca 0.00 -0.09 0.00 0.00 -1.56 0.00 0.00 55.97 54.32 1acd s LYS 58 Cb 0.00 -3.58 0.02 0.00 -1.46 0.00 0.00 37.83 32.81 1acd s LYS 58 CO 0.00 -0.07 -0.06 -0.80 0.16 0.00 0.00 175.35 174.57 1acd s ASN 59 N 1.28 1.67 0.43 1.43 0.01 -1.26 -3.13 114.94 115.38 1acd s ASN 59 Ca 0.12 -0.22 0.04 0.00 -0.71 0.00 0.00 52.86 52.09 1acd s ASN 59 Cb -0.15 -0.67 -0.01 0.00 0.41 0.00 0.00 41.25 40.83 1acd s ASN 59 CO 0.08 -0.08 0.13 0.35 -1.51 0.00 0.00 177.10 176.06 1acd n THR 60 N 4.50 0.00 -3.62 1.60 -2.24 -1.13 -5.04 114.28 108.35 1acd n THR 60 Ca -0.17 -2.43 -0.08 0.00 -2.27 0.00 0.00 64.05 59.11 1acd n THR 60 Cb 0.51 0.82 -0.06 0.00 -2.10 0.00 0.00 70.33 69.49 1acd n THR 60 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1acd s GLU 61 N -3.62 0.42 -0.00 -0.78 2.12 -1.26 -2.86 118.70 112.72 1acd s GLU 61 Ca 0.18 0.34 0.03 0.00 0.36 0.00 0.00 54.97 55.88 1acd s GLU 61 Cb 0.01 0.20 -0.01 0.00 0.26 0.00 0.00 34.13 34.59 1acd s GLU 61 CO 0.13 -0.08 -0.09 0.96 -0.54 0.00 0.00 175.26 175.64 1acd s ILE 62 N -0.26 0.73 -0.14 -3.70 -4.36 0.26 -4.98 121.20 108.73 1acd s ILE 62 Ca 0.03 -0.45 0.02 0.00 -0.26 0.00 0.00 60.65 59.98 1acd s ILE 62 Cb -0.03 -0.62 0.02 0.00 1.25 0.00 0.00 42.46 43.07 1acd s ILE 62 CO -0.06 0.16 -0.18 -0.44 0.24 0.00 0.00 174.94 174.66 1acd s SER 63 N -0.33 2.85 0.33 4.36 0.01 -1.26 -1.47 113.70 118.20 1acd s SER 63 Ca 0.03 -0.54 -0.06 0.00 1.31 0.00 0.00 55.95 56.69 1acd s SER 63 Cb -0.04 -1.30 0.01 0.00 0.21 0.00 0.00 66.02 64.90 1acd s SER 63 CO -0.00 0.02 0.51 0.72 0.41 0.00 0.00 173.24 174.90 1acd s PHE 64 N 1.09 0.83 0.07 2.43 -0.71 0.27 -4.97 117.98 116.99 1acd s PHE 64 Ca -0.02 -1.14 0.08 0.00 -1.04 0.00 0.00 56.93 54.81 1acd s PHE 64 Cb -0.14 0.08 -0.03 0.00 -1.21 0.00 0.00 43.02 41.72 1acd s PHE 64 CO -0.06 -1.17 -0.22 0.15 -1.34 0.00 0.00 175.22 172.58 1acd s LYS 65 N -3.11 1.38 0.34 1.99 1.02 -1.26 -0.06 119.74 120.04 1acd s LYS 65 Ca 0.27 -1.07 -0.29 0.00 0.02 0.00 0.00 55.97 54.90 1acd s LYS 65 Cb -0.01 -1.59 -0.11 0.00 -0.52 0.00 0.00 37.83 35.61 1acd s LYS 65 CO 0.17 0.39 1.41 -0.51 -0.92 0.00 0.00 175.35 175.89 1acd s LEU 66 N -1.49 4.37 -1.00 3.17 1.02 -1.26 -3.06 118.68 120.43 1acd s LEU 66 Ca 0.09 2.85 0.00 0.00 0.02 0.00 0.00 54.13 57.08 1acd s LEU 66 Cb -0.09 -3.65 0.00 0.00 0.02 0.00 0.00 46.19 42.46 1acd s LEU 66 CO 0.03 -0.71 0.00 0.61 0.02 0.00 0.00 176.35 176.30 1acd n GLY 67 N 0.86 1.00 3.07 -3.19 0.00 0.11 -4.97 105.19 102.07 1acd n GLY 67 Ca 0.01 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 1acd n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1acd s VAL 68 N -2.03 1.85 0.34 1.61 1.01 -1.17 -5.00 120.40 117.00 1acd s VAL 68 Ca 0.00 -0.82 -0.28 0.00 0.00 0.00 0.00 61.98 60.88 1acd s VAL 68 Cb 0.00 -1.70 -0.10 0.00 0.00 0.00 0.00 36.38 34.58 1acd s VAL 68 CO 0.00 0.49 1.28 -0.70 0.00 0.00 0.00 175.10 176.17 1acd s GLU 69 N 1.37 4.32 0.14 2.72 2.12 -1.26 -4.65 118.70 123.47 1acd s GLU 69 Ca 0.05 2.14 -0.06 0.00 0.36 0.00 0.00 54.97 57.46 1acd s GLU 69 Cb -0.13 -3.02 -0.02 0.00 0.26 0.00 0.00 34.13 31.22 1acd s GLU 69 CO -0.12 -0.19 0.20 -0.59 -0.54 0.00 0.00 175.26 174.02 1acd s PHE 70 N -1.17 0.53 -0.08 5.30 -0.71 -0.32 -5.00 117.98 116.52 1acd s PHE 70 Ca 0.50 -0.91 -0.18 0.00 -1.04 0.00 0.00 56.93 55.30 1acd s PHE 70 Cb -0.38 -0.20 -0.05 0.00 -1.21 0.00 0.00 43.02 41.18 1acd s PHE 70 CO 0.50 -0.63 0.49 -0.51 -1.34 0.00 0.00 175.22 173.73 1acd s ASP 71 N -2.98 6.76 0.00 1.98 1.01 -1.26 -1.03 116.67 121.15 1acd s ASP 71 Ca 0.18 0.91 0.02 0.00 0.71 0.00 0.00 52.55 54.37 1acd s ASP 71 Cb 0.05 -2.30 -0.01 0.00 1.01 0.00 0.00 42.92 41.67 1acd s ASP 71 CO -0.01 0.06 -0.07 -0.70 0.21 0.00 0.00 175.17 174.67 1acd s GLU 72 N 0.26 0.51 -0.33 8.23 2.12 -0.54 -4.96 118.70 124.00 1acd s GLU 72 Ca 0.27 -0.32 -0.04 0.00 0.36 0.00 0.00 54.97 55.24 1acd s GLU 72 Cb -0.16 -0.46 0.05 0.00 0.26 0.00 0.00 34.13 33.81 1acd s GLU 72 CO 0.12 0.12 0.07 0.42 -0.54 0.00 0.00 175.26 175.45 1acd s ILE 73 N -0.35 3.43 1.07 -3.70 -1.09 -1.26 -1.10 121.20 118.21 1acd s ILE 73 Ca 0.00 -1.29 -0.14 0.00 -2.23 0.00 0.00 60.65 57.00 1acd s ILE 73 Cb -0.04 -2.98 0.22 0.00 -1.58 0.00 0.00 42.46 38.09 1acd s ILE 73 CO -0.00 -0.18 1.08 0.42 -1.23 0.00 0.00 174.94 175.03 1acd s THR 74 N 1.33 1.93 0.45 2.92 -4.23 -0.65 -4.88 115.64 112.50 1acd s THR 74 Ca -0.03 0.00 0.20 0.00 -1.18 0.00 0.00 61.69 60.68 1acd s THR 74 Cb -0.20 -2.44 0.23 0.00 1.34 0.00 0.00 72.50 71.44 1acd s THR 74 CO 0.01 0.00 2.04 0.00 -0.54 0.00 0.00 174.62 176.13 1acd h ALA 75 N -2.15 1.54 -0.49 3.99 0.00 -1.99 -1.71 119.26 118.45 1acd h ALA 75 Ca -0.54 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1acd h ALA 75 Cb 1.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1acd h ALA 75 CO 0.53 0.18 0.00 -0.40 0.00 0.00 0.00 179.25 179.56 1acd n ASP 76 N -4.05 2.87 -0.46 0.00 5.75 -1.26 -4.95 116.55 114.45 1acd n ASP 76 Ca -0.02 -2.07 -0.04 0.00 -0.01 0.00 0.00 54.79 52.65 1acd n ASP 76 Cb 0.23 -0.37 -0.00 0.00 -1.03 0.00 0.00 41.12 39.95 1acd n ASP 76 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1acd n ASP 77 N 0.92 -2.00 -4.76 -1.12 8.00 -0.64 -5.03 116.55 111.92 1acd n ASP 77 Ca 0.17 -0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.30 1acd n ASP 77 Cb 0.48 -1.36 -0.07 0.00 -0.02 0.00 0.00 41.12 40.15 1acd n ASP 77 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1acd s ARG 78 N -4.16 4.13 -0.62 -1.24 0.52 -1.26 -4.86 118.95 111.47 1acd s ARG 78 Ca 0.00 0.15 -0.21 0.00 -0.52 0.00 0.00 55.73 55.15 1acd s ARG 78 Cb 0.00 -3.37 0.08 0.00 0.52 0.00 0.00 34.95 32.18 1acd s ARG 78 CO 0.00 0.35 0.86 0.21 0.02 0.00 0.00 175.30 176.74 1acd s LYS 79 N 0.10 3.10 0.39 3.54 2.20 -1.26 -1.64 119.74 126.16 1acd s LYS 79 Ca 0.18 -0.98 0.08 0.00 -0.36 0.00 0.00 55.97 54.89 1acd s LYS 79 Cb -0.14 -4.23 -0.06 0.00 -1.51 0.00 0.00 37.83 31.89 1acd s LYS 79 CO 0.06 -1.68 0.07 0.14 -0.36 0.00 0.00 175.35 173.58 1acd s VAL 80 N 3.52 2.29 -0.22 4.02 -7.23 -0.25 -4.82 120.40 117.70 1acd s VAL 80 Ca 0.18 -1.89 -0.05 0.00 -1.81 0.00 0.00 61.98 58.42 1acd s VAL 80 Cb -0.19 -2.93 -0.01 0.00 0.56 0.00 0.00 36.38 33.81 1acd s VAL 80 CO 0.09 -0.06 -0.02 -0.54 -0.31 0.00 0.00 175.10 174.26 1acd s LYS 81 N -3.78 3.45 0.09 4.82 1.02 -0.78 -1.47 119.74 123.10 1acd s LYS 81 Ca 0.37 -0.59 0.05 0.00 0.02 0.00 0.00 55.97 55.82 1acd s LYS 81 Cb 0.05 -3.07 -0.04 0.00 -0.52 0.00 0.00 37.83 34.25 1acd s LYS 81 CO 0.20 -0.17 0.00 -1.12 -0.92 0.00 0.00 175.35 173.34 1acd s SER 82 N 1.44 5.05 -0.13 2.83 0.01 -0.20 -1.86 113.70 120.84 1acd s SER 82 Ca 0.05 -0.17 -0.04 0.00 1.31 0.00 0.00 55.95 57.10 1acd s SER 82 Cb -0.14 -1.21 0.07 0.00 0.21 0.00 0.00 66.02 64.94 1acd s SER 82 CO -0.01 0.17 0.22 -0.51 0.41 0.00 0.00 173.24 173.52 1acd s ILE 83 N -1.32 -0.35 -0.09 1.44 1.10 -1.04 -1.17 121.20 119.76 1acd s ILE 83 Ca 0.26 0.22 0.02 0.00 -0.51 0.00 0.00 60.65 60.64 1acd s ILE 83 Cb -0.12 -0.45 -0.02 0.00 0.15 0.00 0.00 42.46 42.03 1acd s ILE 83 CO 0.19 0.06 -0.15 -0.63 -2.11 0.00 0.00 174.94 172.29 1acd s ILE 84 N 2.36 2.93 0.15 2.00 1.01 -1.26 -1.29 121.20 127.10 1acd s ILE 84 Ca 0.03 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 59.97 1acd s ILE 84 Cb -0.13 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 1acd s ILE 84 CO -0.08 0.55 -0.02 0.42 0.00 0.00 0.00 174.94 175.81 1acd s THR 85 N -0.10 0.71 -0.74 2.92 -4.23 -0.04 -0.71 115.64 113.45 1acd s THR 85 Ca -0.02 -1.97 -0.11 0.00 -1.18 0.00 0.00 61.69 58.41 1acd s THR 85 Cb -0.14 -1.98 0.19 0.00 1.34 0.00 0.00 72.50 71.92 1acd s THR 85 CO 0.04 -0.61 0.64 -0.22 -0.54 0.00 0.00 174.62 173.93 1acd s LEU 86 N -3.13 6.25 -0.57 4.79 2.96 -1.26 -0.28 118.68 127.44 1acd s LEU 86 Ca 0.20 -2.64 -0.16 0.00 -0.22 0.00 0.00 54.13 51.30 1acd s LEU 86 Cb 0.06 -2.10 0.13 0.00 0.50 0.00 0.00 46.19 44.78 1acd s LEU 86 CO 0.01 -0.54 0.56 -1.81 -1.32 0.00 0.00 176.35 173.25 1acd s ASP 87 N 1.87 6.24 -0.72 3.68 1.11 -0.48 -4.72 116.67 123.64 1acd s ASP 87 Ca 0.16 -1.80 -0.06 0.00 0.18 0.00 0.00 52.55 51.03 1acd s ASP 87 Cb -0.15 -2.23 0.01 0.00 1.07 0.00 0.00 42.92 41.62 1acd s ASP 87 CO -0.06 -0.88 0.64 0.61 1.18 0.00 0.00 175.17 176.66 1acd n GLY 88 N 5.16 -1.13 2.92 0.21 0.00 -1.26 -2.49 105.19 108.60 1acd n GLY 88 Ca -0.11 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.59 1acd n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1acd n GLY 89 N -1.42 0.06 3.11 -0.02 0.00 -1.26 -4.96 105.19 100.69 1acd n GLY 89 Ca -0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 1acd n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1acd s ALA 90 N -1.12 1.37 -0.49 4.61 0.00 -1.04 -4.56 121.76 120.53 1acd s ALA 90 Ca 0.00 -0.62 -0.27 0.00 0.00 0.00 0.00 51.96 51.07 1acd s ALA 90 Cb 0.00 -0.45 0.03 0.00 0.00 0.00 0.00 23.12 22.70 1acd s ALA 90 CO 0.00 0.25 1.07 -0.51 0.00 0.00 0.00 175.76 176.57 1acd s LEU 91 N 0.03 3.76 -0.33 0.00 1.43 0.27 -1.39 118.68 122.45 1acd s LEU 91 Ca -0.03 0.27 -0.08 0.00 -1.03 0.00 0.00 54.13 53.26 1acd s LEU 91 Cb -0.10 -3.35 0.02 0.00 0.03 0.00 0.00 46.19 42.78 1acd s LEU 91 CO 0.01 -1.21 0.13 -0.69 0.23 0.00 0.00 176.35 174.82 1acd s VAL 92 N 4.26 4.17 -0.13 -1.59 1.01 0.62 -1.04 120.40 127.70 1acd s VAL 92 Ca 0.43 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.59 1acd s VAL 92 Cb -0.08 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 1acd s VAL 92 CO 0.29 -0.06 -0.03 -1.58 0.00 0.00 0.00 175.10 173.72 1acd s GLN 93 N 1.51 3.44 -0.17 2.72 0.74 -0.19 -0.86 119.66 126.85 1acd s GLN 93 Ca 0.02 -0.50 0.01 0.00 0.05 0.00 0.00 55.36 54.94 1acd s GLN 93 Cb -0.18 -2.86 0.02 0.00 1.10 0.00 0.00 33.01 31.09 1acd s GLN 93 CO 0.04 0.38 -0.20 0.08 -0.55 0.00 0.00 175.29 175.04 1acd s VAL 94 N -0.01 1.99 -0.14 1.34 1.01 -0.41 -0.73 120.40 123.45 1acd s VAL 94 Ca 0.01 -0.91 -0.05 0.00 0.00 0.00 0.00 61.98 61.04 1acd s VAL 94 Cb -0.13 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1acd s VAL 94 CO 0.03 0.53 0.04 -1.10 0.00 0.00 0.00 175.10 174.59 1acd s GLN 95 N 1.19 3.53 -0.03 2.72 -0.21 -0.34 -2.50 119.66 124.03 1acd s GLN 95 Ca 0.02 -0.36 0.01 0.00 0.02 0.00 0.00 55.36 55.05 1acd s GLN 95 Cb -0.14 -3.03 0.02 0.00 1.00 0.00 0.00 33.01 30.86 1acd s GLN 95 CO -0.10 0.48 -0.04 -1.59 -2.12 0.00 0.00 175.29 171.92 1acd s LYS 96 N -0.24 0.60 -0.28 2.91 -2.85 -0.78 -0.99 119.74 118.12 1acd s LYS 96 Ca 0.07 -0.09 -0.20 0.00 -1.00 0.00 0.00 55.97 54.76 1acd s LYS 96 Cb -0.12 -0.64 0.08 0.00 -2.06 0.00 0.00 37.83 35.09 1acd s LYS 96 CO 0.02 -0.04 0.74 1.67 0.10 0.00 0.00 175.35 177.84 1acd s TRP 97 N 0.65 -0.91 -1.42 1.78 -2.14 -0.87 -1.86 118.94 114.17 1acd s TRP 97 Ca -0.08 1.95 -0.06 0.00 2.66 0.00 0.00 56.10 60.57 1acd s TRP 97 Cb -0.11 0.47 0.04 0.00 -3.10 0.00 0.00 33.47 30.77 1acd s TRP 97 CO -0.00 -0.44 0.78 -0.25 -2.66 0.00 0.00 176.95 174.37 1acd n ASP 98 N 3.59 -2.50 0.00 -2.66 8.00 -1.26 -1.90 116.55 119.82 1acd n ASP 98 Ca -0.17 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.49 1acd n ASP 98 Cb 0.57 -3.82 0.00 0.00 -0.02 0.00 0.00 41.12 37.85 1acd n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1acd n GLY 99 N -1.66 2.87 4.00 0.44 0.00 -1.26 -5.00 105.19 104.58 1acd n GLY 99 Ca -0.16 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.68 1acd n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1acd s LYS 100 N 0.00 2.65 -0.19 1.61 1.02 -0.80 -5.14 119.74 118.89 1acd s LYS 100 Ca 0.00 -1.40 -0.28 0.00 0.02 0.00 0.00 55.97 54.32 1acd s LYS 100 Cb 0.00 -2.68 0.10 0.00 -0.52 0.00 0.00 37.83 34.73 1acd s LYS 100 CO 0.00 -0.44 0.85 -1.54 -0.92 0.00 0.00 175.35 173.31 1acd s SER 101 N -4.42 -0.56 0.11 2.83 1.04 -1.26 -2.05 113.70 109.38 1acd s SER 101 Ca 0.56 0.88 0.04 0.00 0.48 0.00 0.00 55.95 57.91 1acd s SER 101 Cb -0.08 0.82 -0.04 0.00 0.10 0.00 0.00 66.02 66.82 1acd s SER 101 CO 0.34 -0.34 -0.10 0.28 0.98 0.00 0.00 173.24 174.40 1acd s THR 102 N -0.39 1.01 -0.08 2.02 -1.32 -0.17 -4.66 115.64 112.06 1acd s THR 102 Ca -0.02 -1.72 0.02 0.00 -1.21 0.00 0.00 61.69 58.75 1acd s THR 102 Cb -0.03 -1.47 0.01 0.00 -1.51 0.00 0.00 72.50 69.51 1acd s THR 102 CO 0.02 -0.58 -0.14 -0.89 -2.21 0.00 0.00 174.62 170.82 1acd s THR 103 N -2.58 1.29 -0.20 5.08 2.01 -0.96 -1.20 115.64 119.08 1acd s THR 103 Ca 0.08 -0.55 -0.02 0.00 0.31 0.00 0.00 61.69 61.50 1acd s THR 103 Cb -0.02 -1.17 -0.00 0.00 0.01 0.00 0.00 72.50 71.32 1acd s THR 103 CO 0.00 0.39 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.60 1acd s ILE 104 N 0.74 2.97 -0.17 1.82 1.09 0.09 -1.32 121.20 126.42 1acd s ILE 104 Ca -0.13 -0.64 -0.02 0.00 -1.10 0.00 0.00 60.65 58.77 1acd s ILE 104 Cb -0.16 -2.32 -0.01 0.00 -1.06 0.00 0.00 42.46 38.91 1acd s ILE 104 CO 0.03 0.47 -0.09 -0.75 -0.10 0.00 0.00 174.94 174.50 1acd s LYS 105 N 1.31 3.40 -0.18 2.79 2.20 -0.37 -1.02 119.74 127.86 1acd s LYS 105 Ca 0.04 -0.65 -0.02 0.00 -0.36 0.00 0.00 55.97 54.98 1acd s LYS 105 Cb -0.14 -2.82 -0.01 0.00 -1.51 0.00 0.00 37.83 33.35 1acd s LYS 105 CO -0.05 0.02 -0.09 1.03 -0.36 0.00 0.00 175.35 175.90 1acd s ARG 106 N 0.88 3.37 -0.03 4.03 0.52 -0.21 -1.09 118.95 126.42 1acd s ARG 106 Ca -0.02 -0.66 -0.14 0.00 -0.52 0.00 0.00 55.73 54.40 1acd s ARG 106 Cb -0.15 -2.83 0.02 0.00 0.52 0.00 0.00 34.95 32.52 1acd s ARG 106 CO 0.01 -0.01 0.29 -1.59 0.02 0.00 0.00 175.30 174.01 1acd s LYS 107 N 0.96 0.61 0.38 3.54 -2.85 -0.41 -0.57 119.74 121.41 1acd s LYS 107 Ca -0.01 -0.13 -0.23 0.00 -1.00 0.00 0.00 55.97 54.59 1acd s LYS 107 Cb -0.15 0.27 -0.10 0.00 -2.06 0.00 0.00 37.83 35.79 1acd s LYS 107 CO -0.00 -0.16 0.95 1.03 0.10 0.00 0.00 175.35 177.27 1acd s ARG 108 N -1.14 4.38 -0.41 1.78 1.81 -1.26 -0.17 118.95 123.94 1acd s ARG 108 Ca -0.12 1.23 0.05 0.00 -1.72 0.00 0.00 55.73 55.17 1acd s ARG 108 Cb -0.05 -2.48 0.17 0.00 -0.45 0.00 0.00 34.95 32.14 1acd s ARG 108 CO 0.03 0.10 0.47 0.34 -0.68 0.00 0.00 175.30 175.57 1acd s ASP 109 N -1.90 0.35 1.35 0.23 -1.08 0.03 -4.88 116.67 110.78 1acd s ASP 109 Ca 0.56 -1.73 0.00 0.00 -0.52 0.00 0.00 52.55 50.86 1acd s ASP 109 Cb -0.14 0.84 0.00 0.00 -1.46 0.00 0.00 42.92 42.16 1acd s ASP 109 CO 0.19 -0.19 0.00 0.61 0.52 0.00 0.00 175.17 176.29 1acd n GLY 110 N 3.81 2.72 1.48 2.66 0.00 -1.26 -1.84 105.19 112.76 1acd n GLY 110 Ca 0.15 -0.21 0.08 0.00 0.00 0.00 0.00 46.02 46.05 1acd n GLY 110 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1acd n ASP 111 N 9.33 4.73 -4.48 1.61 8.00 -1.26 -4.97 116.55 129.51 1acd n ASP 111 Ca 0.00 -2.62 -0.27 0.00 0.71 0.00 0.00 54.79 52.61 1acd n ASP 111 Cb 0.00 -0.57 -0.11 0.00 -0.02 0.00 0.00 41.12 40.42 1acd n ASP 111 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1acd s LYS 112 N -2.17 1.72 -0.27 -1.24 3.01 -0.77 -4.29 119.74 115.74 1acd s LYS 112 Ca 0.48 -1.42 -0.04 0.00 -1.01 0.00 0.00 55.97 53.99 1acd s LYS 112 Cb 0.34 -1.97 0.02 0.00 -1.01 0.00 0.00 37.83 35.20 1acd s LYS 112 CO 0.19 0.42 0.01 -1.17 0.51 0.00 0.00 175.35 175.31 1acd s LEU 113 N -2.69 3.53 -0.20 3.17 2.96 -0.93 -0.79 118.68 123.73 1acd s LEU 113 Ca 0.22 -0.79 -0.13 0.00 -0.22 0.00 0.00 54.13 53.21 1acd s LEU 113 Cb -0.08 -1.78 -0.05 0.00 0.50 0.00 0.00 46.19 44.78 1acd s LEU 113 CO 0.12 -0.16 0.25 -0.69 -1.32 0.00 0.00 176.35 174.55 1acd s VAL 114 N 1.41 5.31 -0.11 1.68 1.01 0.76 -0.66 120.40 129.80 1acd s VAL 114 Ca 0.01 0.41 0.02 0.00 0.00 0.00 0.00 61.98 62.42 1acd s VAL 114 Cb -0.17 -3.59 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 1acd s VAL 114 CO -0.01 0.34 -0.18 -0.69 0.00 0.00 0.00 175.10 174.57 1acd s VAL 115 N 0.88 2.61 0.40 2.92 1.01 -0.42 -1.29 120.40 126.51 1acd s VAL 115 Ca 0.13 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.32 1acd s VAL 115 Cb -0.13 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 1acd s VAL 115 CO 0.04 0.54 0.11 -1.61 0.00 0.00 0.00 175.10 174.19 1acd s GLU 116 N 0.27 1.89 0.00 2.72 2.02 -0.25 -1.59 118.70 123.75 1acd s GLU 116 Ca -0.13 -2.14 0.00 0.00 0.02 0.00 0.00 54.97 52.73 1acd s GLU 116 Cb -0.16 -0.69 0.00 0.00 0.10 0.00 0.00 34.13 33.37 1acd s GLU 116 CO 0.07 -0.42 0.00 0.28 0.02 0.00 0.00 175.26 175.21 1acd n VAL 118 N -0.88 0.00 -3.58 2.63 0.31 -0.44 -1.24 118.33 115.13 1acd n VAL 118 Ca -0.06 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 63.98 1acd n VAL 118 Cb 0.65 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 33.44 1acd n VAL 118 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 1acd s MET 119 N -0.47 0.45 -0.16 5.55 1.75 -0.51 -2.26 119.30 123.64 1acd s MET 119 Ca 0.00 -0.90 -0.14 0.00 -1.25 0.00 0.00 55.69 53.40 1acd s MET 119 Cb 0.00 -1.45 0.02 0.00 2.84 0.00 0.00 34.83 36.24 1acd s MET 119 CO 0.00 -1.06 0.23 0.36 -0.65 0.00 0.00 175.02 173.91 1acd n LYS 120 N 4.82 -0.69 0.00 4.11 2.85 -1.26 -2.35 118.16 125.64 1acd n LYS 120 Ca -0.01 0.55 0.00 0.00 -1.05 0.00 0.00 58.31 57.80 1acd n LYS 120 Cb 0.41 -0.76 0.00 0.00 -0.65 0.00 0.00 35.03 34.02 1acd n LYS 120 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1acd n GLY 121 N 0.08 3.10 3.78 2.58 0.00 -1.26 -5.04 105.19 108.44 1acd n GLY 121 Ca -0.03 -0.87 -0.38 0.00 0.00 0.00 0.00 46.02 44.74 1acd n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1acd s VAL 122 N -0.93 5.14 -0.03 1.61 1.01 -0.99 -5.08 120.40 121.13 1acd s VAL 122 Ca 0.00 0.79 0.03 0.00 0.00 0.00 0.00 61.98 62.80 1acd s VAL 122 Cb 0.00 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1acd s VAL 122 CO 0.00 0.47 -0.10 -0.89 0.00 0.00 0.00 175.10 174.58 1acd s THR 123 N -0.30 0.88 -0.00 3.92 2.01 -1.26 -1.42 115.64 119.46 1acd s THR 123 Ca 0.23 -0.42 0.08 0.00 0.31 0.00 0.00 61.69 61.89 1acd s THR 123 Cb -0.15 -0.78 -0.02 0.00 0.01 0.00 0.00 72.50 71.56 1acd s THR 123 CO 0.10 0.27 -0.26 -0.55 -0.69 0.00 0.00 174.62 173.50 1acd s SER 124 N 0.16 3.05 -0.11 3.53 0.15 -1.26 -4.77 113.70 114.45 1acd s SER 124 Ca -0.03 -0.50 0.03 0.00 0.70 0.00 0.00 55.95 56.15 1acd s SER 124 Cb -0.09 -0.32 0.01 0.00 -1.71 0.00 0.00 66.02 63.91 1acd s SER 124 CO 0.01 0.30 -0.18 -0.89 1.20 0.00 0.00 173.24 173.67 1acd s THR 125 N -0.65 1.71 -0.10 6.45 2.01 -0.67 -4.28 115.64 120.11 1acd s THR 125 Ca 0.10 -0.79 0.02 0.00 0.31 0.00 0.00 61.69 61.33 1acd s THR 125 Cb -0.10 -1.53 0.02 0.00 0.01 0.00 0.00 72.50 70.90 1acd s THR 125 CO -0.00 0.48 -0.13 -0.13 -0.69 0.00 0.00 174.62 174.15 1acd s ARG 126 N 0.75 1.99 -0.18 4.92 1.81 -0.62 -0.68 118.95 126.94 1acd s ARG 126 Ca -0.11 -0.48 -0.05 0.00 -1.72 0.00 0.00 55.73 53.37 1acd s ARG 126 Cb -0.16 -1.73 -0.03 0.00 -0.45 0.00 0.00 34.95 32.58 1acd s ARG 126 CO 0.02 -0.07 0.01 0.08 -0.68 0.00 0.00 175.30 174.65 1acd s VAL 127 N 1.01 4.23 0.40 3.52 1.01 -1.08 -1.31 120.40 128.18 1acd s VAL 127 Ca -0.07 -0.23 0.08 0.00 0.00 0.00 0.00 61.98 61.76 1acd s VAL 127 Cb -0.15 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 1acd s VAL 127 CO -0.01 0.46 0.26 -0.31 0.00 0.00 0.00 175.10 175.50 1acd s TYR 128 N 0.54 2.68 0.01 5.22 1.51 0.16 -1.00 117.35 126.48 1acd s TYR 128 Ca -0.00 -0.50 -0.20 0.00 -1.01 0.00 0.00 57.07 55.36 1acd s TYR 128 Cb -0.14 -1.97 0.04 0.00 -0.11 0.00 0.00 41.96 39.78 1acd s TYR 128 CO 0.02 0.10 0.44 -1.83 -1.11 0.00 0.00 175.55 173.16 1acd s GLU 129 N -3.98 0.88 1.04 -0.62 -1.05 -0.07 -2.20 118.70 112.69 1acd s GLU 129 Ca 0.43 -0.19 -0.12 0.00 -0.15 0.00 0.00 54.97 54.94 1acd s GLU 129 Cb -0.01 0.40 0.18 0.00 -0.44 0.00 0.00 34.13 34.26 1acd s GLU 129 CO 0.25 -0.28 0.89 0.54 0.95 0.00 0.00 175.26 177.61 1acd n ARG 130 N 0.81 -1.28 0.00 -4.83 1.74 -1.26 0.08 116.66 111.91 1acd n ARG 130 Ca -0.20 -0.33 0.00 0.00 -0.77 0.00 0.00 57.85 56.56 1acd n ARG 130 Cb 0.58 -2.17 0.00 0.00 -1.02 0.00 0.00 32.46 29.85 1acd n ARG 130 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11