#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f3i h ALA 2 N 0.00 0.69 -5.39 3.17 0.00 -1.94 0.24 119.26 116.03 2f3i h ALA 2 Ca 0.00 -0.56 -0.26 0.00 0.00 0.00 0.00 54.91 54.09 2f3i h ALA 2 Cb 0.00 -0.07 0.18 0.00 0.00 0.00 0.00 17.79 17.90 2f3i h ALA 2 CO 0.00 0.72 -0.79 0.41 0.00 0.00 0.00 179.25 179.59 2f3i n GLY 3 N 0.38 -0.83 3.62 0.00 0.00 -1.26 -1.36 105.19 105.74 2f3i n GLY 3 Ca -0.03 0.39 -0.44 0.00 0.00 0.00 0.00 46.02 45.94 2f3i n GLY 3 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2f3i n ILE 4 N -3.43 1.97 0.00 -0.61 3.06 -1.26 -1.62 119.36 117.46 2f3i n ILE 4 Ca -0.14 -0.49 0.00 0.00 -2.50 0.00 0.00 62.75 59.62 2f3i n ILE 4 Cb 0.63 -1.15 0.00 0.00 0.54 0.00 0.00 39.64 39.66 2f3i n ILE 4 CO 0.00 0.00 0.00 -0.11 -2.50 0.00 0.00 176.55 173.94 2f3i n LEU 5 N 1.13 0.56 -3.63 9.51 -0.00 -0.30 -4.88 117.00 119.38 2f3i n LEU 5 Ca 0.08 0.00 -0.15 0.00 -0.00 0.00 0.00 56.01 55.95 2f3i n LEU 5 Cb 0.33 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.68 2f3i n LEU 5 CO 0.61 0.09 0.22 0.12 -0.00 0.00 0.00 177.39 178.43 2f3i s PHE 6 N -2.00 -0.39 -0.13 1.96 2.19 -0.99 -5.02 117.98 113.60 2f3i s PHE 6 Ca 0.00 0.57 -0.15 0.00 0.33 0.00 0.00 56.93 57.67 2f3i s PHE 6 Cb 0.00 0.26 0.04 0.00 -1.31 0.00 0.00 43.02 42.01 2f3i s PHE 6 CO 0.00 -0.54 0.42 -2.00 1.83 0.00 0.00 175.22 174.93 2f3i s GLU 7 N -1.69 0.54 -0.01 10.12 2.12 -1.26 -1.22 118.70 127.30 2f3i s GLU 7 Ca -0.10 0.46 -0.18 0.00 0.36 0.00 0.00 54.97 55.52 2f3i s GLU 7 Cb -0.02 0.26 0.03 0.00 0.26 0.00 0.00 34.13 34.66 2f3i s GLU 7 CO 0.04 -0.09 0.38 0.34 -0.54 0.00 0.00 175.26 175.39 2f3i s ASP 8 N -0.06 -0.27 0.48 -1.70 2.15 -0.68 -5.02 116.67 111.58 2f3i s ASP 8 Ca -0.02 0.16 -0.21 0.00 0.43 0.00 0.00 52.55 52.90 2f3i s ASP 8 Cb -0.03 0.36 -0.08 0.00 -0.30 0.00 0.00 42.92 42.87 2f3i s ASP 8 CO 0.02 -0.50 1.09 -0.63 -0.17 0.00 0.00 175.17 174.98 2f3i s ILE 9 N -1.48 3.45 0.08 4.11 1.09 -1.26 -1.39 121.20 125.80 2f3i s ILE 9 Ca -0.12 0.98 0.02 0.00 -1.10 0.00 0.00 60.65 60.43 2f3i s ILE 9 Cb -0.04 -3.44 -0.04 0.00 -1.06 0.00 0.00 42.46 37.89 2f3i s ILE 9 CO 0.04 -0.12 -0.07 -0.36 -0.10 0.00 0.00 174.94 174.33 2f3i s PHE 10 N -1.77 0.81 0.03 3.97 0.40 0.35 -0.79 117.98 120.99 2f3i s PHE 10 Ca 0.66 -0.79 0.05 0.00 -0.60 0.00 0.00 56.93 56.26 2f3i s PHE 10 Cb -0.22 -0.48 -0.02 0.00 0.51 0.00 0.00 43.02 42.81 2f3i s PHE 10 CO 0.26 -0.13 -0.15 0.34 0.70 0.00 0.00 175.22 176.24 2f3i s ASP 11 N -2.58 1.77 0.42 1.36 2.15 -0.18 -1.50 116.67 118.12 2f3i s ASP 11 Ca 0.05 -0.44 -0.24 0.00 0.43 0.00 0.00 52.55 52.35 2f3i s ASP 11 Cb 0.00 -0.13 -0.09 0.00 -0.30 0.00 0.00 42.92 42.41 2f3i s ASP 11 CO -0.03 0.07 1.08 0.54 -0.17 0.00 0.00 175.17 176.65 2f3i s VAL 12 N -0.78 3.57 0.00 1.11 0.11 -1.26 -1.34 120.40 121.81 2f3i s VAL 12 Ca 0.03 1.19 0.00 0.00 -2.93 0.00 0.00 61.98 60.27 2f3i s VAL 12 Cb -0.08 -3.61 0.00 0.00 -1.53 0.00 0.00 36.38 31.17 2f3i s VAL 12 CO 0.01 -0.01 0.00 0.29 -3.33 0.00 0.00 175.10 172.06 2f3i n LYS 13 N -0.20 2.75 -3.76 1.54 4.76 0.10 -4.89 118.16 118.47 2f3i n LYS 13 Ca 0.06 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.41 2f3i n LYS 13 Cb 0.49 -0.86 -0.03 0.00 -1.84 0.00 0.00 35.03 32.79 2f3i n LYS 13 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2f3i s ASP 14 N -2.34 -0.29 -0.05 4.39 2.15 -0.62 -4.96 116.67 114.95 2f3i s ASP 14 Ca 0.00 -0.50 -0.04 0.00 0.43 0.00 0.00 52.55 52.44 2f3i s ASP 14 Cb 0.00 0.64 0.02 0.00 -0.30 0.00 0.00 42.92 43.28 2f3i s ASP 14 CO 0.00 -1.17 0.13 -0.63 -0.17 0.00 0.00 175.17 173.33 2f3i s ILE 15 N -3.89 -0.01 -0.28 4.11 1.09 -1.26 -1.06 121.20 119.90 2f3i s ILE 15 Ca 0.10 0.03 0.01 0.00 -1.10 0.00 0.00 60.65 59.70 2f3i s ILE 15 Cb -0.03 -0.20 0.16 0.00 -1.06 0.00 0.00 42.46 41.33 2f3i s ILE 15 CO 0.01 0.01 0.40 -0.62 -0.10 0.00 0.00 174.94 174.64 2f3i s ASP 16 N 0.27 0.48 0.53 3.58 2.15 -0.31 -4.98 116.67 118.39 2f3i s ASP 16 Ca -0.02 -0.34 -0.22 0.00 0.43 0.00 0.00 52.55 52.40 2f3i s ASP 16 Cb -0.03 1.06 -0.06 0.00 -0.30 0.00 0.00 42.92 43.59 2f3i s ASP 16 CO -0.01 -0.35 1.24 -2.65 -0.17 0.00 0.00 175.17 173.23 2f3i n PRO 17 N 5.35 1.54 -0.09 4.34 -0.02 -1.26 -1.24 135.00 143.62 2f3i n PRO 17 Ca -0.00 0.56 0.02 0.00 -2.02 0.00 0.00 63.50 62.07 2f3i n PRO 17 Cb 0.49 -2.42 0.03 0.00 -0.02 0.00 0.00 33.50 31.58 2f3i n PRO 17 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2f3i n GLU 18 N -0.77 1.46 0.00 -0.52 1.02 -1.26 -4.85 120.64 115.73 2f3i n GLU 18 Ca 0.10 -1.43 0.00 0.00 -0.02 0.00 0.00 57.16 55.81 2f3i n GLU 18 Cb 0.44 -0.92 0.00 0.00 -0.02 0.00 0.00 31.44 30.94 2f3i n GLU 18 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2f3i n GLY 19 N -0.52 -2.06 0.28 0.62 0.00 -1.26 -5.03 105.19 97.23 2f3i n GLY 19 Ca 0.04 0.99 0.17 0.00 0.00 0.00 0.00 46.02 47.21 2f3i n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2f3i h LYS 20 N 0.00 0.00 0.00 1.61 1.79 -1.92 0.10 116.57 118.15 2f3i h LYS 20 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2f3i h LYS 20 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2f3i h LYS 20 CO 0.00 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 180.00 2f3i n LYS 21 N -2.75 0.20 -2.75 3.15 4.01 -1.26 -3.12 118.16 115.63 2f3i n LYS 21 Ca -0.02 0.36 -0.14 0.00 -0.51 0.00 0.00 58.31 58.00 2f3i n LYS 21 Cb 0.17 -1.83 0.01 0.00 -0.51 0.00 0.00 35.03 32.87 2f3i n LYS 21 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 2f3i n PHE 22 N -2.20 1.41 -0.12 2.13 3.72 0.01 -5.00 117.46 117.42 2f3i n PHE 22 Ca 0.03 -3.08 0.27 0.00 -0.05 0.00 0.00 57.45 54.62 2f3i n PHE 22 Cb 0.28 -0.35 0.71 0.00 -0.94 0.00 0.00 39.48 39.18 2f3i n PHE 22 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 2f3i h ASP 23 N 2.94 0.00 0.00 4.37 3.58 -1.48 0.70 116.42 126.53 2f3i h ASP 23 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2f3i h ASP 23 Cb 1.07 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.12 2f3i h ASP 23 CO 0.56 0.00 0.00 -2.11 -2.88 0.00 0.00 179.24 174.81 2f3i n ARG 24 N -3.96 0.43 -4.15 0.28 1.85 -1.26 -4.61 116.66 105.24 2f3i n ARG 24 Ca 0.17 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.73 2f3i n ARG 24 Cb 0.96 -1.39 -0.17 0.00 -1.05 0.00 0.00 32.46 30.81 2f3i n ARG 24 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2f3i s VAL 25 N -2.00 1.46 0.07 8.89 1.01 0.24 -0.14 120.40 129.93 2f3i s VAL 25 Ca 0.16 -0.58 -0.09 0.00 0.00 0.00 0.00 61.98 61.47 2f3i s VAL 25 Cb 0.07 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 35.08 2f3i s VAL 25 CO 0.13 0.44 0.20 -0.44 0.00 0.00 0.00 175.10 175.42 2f3i s SER 26 N 1.35 0.08 0.34 3.32 0.01 -0.57 -4.26 113.70 113.96 2f3i s SER 26 Ca 0.01 -0.54 -0.19 0.00 1.31 0.00 0.00 55.95 56.54 2f3i s SER 26 Cb -0.13 0.33 -0.10 0.00 0.21 0.00 0.00 66.02 66.33 2f3i s SER 26 CO -0.07 -0.68 0.83 -0.60 0.41 0.00 0.00 173.24 173.14 2f3i s ARG 27 N -3.42 4.20 0.04 12.44 3.52 -0.37 -1.52 118.95 133.83 2f3i s ARG 27 Ca 0.02 0.95 -0.00 0.00 -0.13 0.00 0.00 55.73 56.56 2f3i s ARG 27 Cb 0.03 -2.47 -0.03 0.00 -1.56 0.00 0.00 34.95 30.91 2f3i s ARG 27 CO -0.09 0.15 -0.04 -0.51 -0.81 0.00 0.00 175.30 174.01 2f3i s LEU 28 N -2.75 2.35 -0.06 -0.88 1.43 0.58 -1.17 118.68 118.18 2f3i s LEU 28 Ca 0.54 -0.71 0.03 0.00 -1.03 0.00 0.00 54.13 52.97 2f3i s LEU 28 Cb -0.12 0.10 0.00 0.00 0.03 0.00 0.00 46.19 46.21 2f3i s LEU 28 CO 0.17 -0.41 -0.16 -1.00 0.23 0.00 0.00 176.35 175.19 2f3i s HIS 29 N -2.45 1.67 0.18 0.29 3.76 -0.22 -1.34 115.29 117.19 2f3i s HIS 29 Ca -0.06 -0.56 -0.06 0.00 -0.15 0.00 0.00 55.06 54.23 2f3i s HIS 29 Cb -0.03 -1.16 -0.02 0.00 1.11 0.00 0.00 32.58 32.48 2f3i s HIS 29 CO -0.04 -0.24 0.24 0.00 -0.85 0.00 0.00 174.74 173.85 2f3i s GLU 31 N -4.04 0.11 0.55 0.00 2.12 -0.45 -1.54 118.70 115.45 2f3i s GLU 31 Ca 0.24 -0.12 -0.18 0.00 0.36 0.00 0.00 54.97 55.27 2f3i s GLU 31 Cb 0.04 0.04 -0.06 0.00 0.26 0.00 0.00 34.13 34.42 2f3i s GLU 31 CO 0.05 -0.02 1.08 -1.54 -0.54 0.00 0.00 175.26 174.29 2f3i s SER 32 N -0.35 5.88 0.00 -1.70 1.04 -1.12 -1.01 113.70 116.45 2f3i s SER 32 Ca -0.04 1.98 -0.07 0.00 0.48 0.00 0.00 55.95 58.30 2f3i s SER 32 Cb -0.03 -2.56 -0.30 0.00 0.10 0.00 0.00 66.02 63.24 2f3i s SER 32 CO -0.00 -1.10 0.86 -0.08 0.98 0.00 0.00 173.24 173.90 2f3i h GLU 33 N 1.00 0.33 0.00 4.02 4.81 -1.31 -3.41 114.58 120.02 2f3i h GLU 33 Ca -0.49 -0.57 0.00 0.00 -0.13 0.00 0.00 59.36 58.18 2f3i h GLU 33 Cb 1.23 0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.83 2f3i h GLU 33 CO 0.57 1.22 -1.67 0.43 -0.73 0.00 0.00 179.01 178.83 2f3i n SER 34 N -3.53 0.55 0.00 1.04 7.64 -1.26 -4.97 113.62 113.09 2f3i n SER 34 Ca -0.18 -0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.47 2f3i n SER 34 Cb 1.06 1.69 0.00 0.00 -1.01 0.00 0.00 64.21 65.95 2f3i n SER 34 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2f3i n PHE 35 N -2.02 0.00 -1.21 1.43 3.72 -1.26 -5.09 117.46 113.03 2f3i n PHE 35 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2f3i n PHE 35 Cb 0.47 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.01 2f3i n PHE 35 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 2f3i n LYS 36 N 0.00 0.00 -2.30 -1.08 2.85 -1.26 -5.03 118.16 111.34 2f3i n LYS 36 Ca 0.00 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.89 2f3i n LYS 36 Cb 0.00 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.37 2f3i n LYS 36 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 2f3i s MET 37 N 0.00 3.78 -0.12 -1.58 -1.94 -1.26 -4.80 119.30 113.38 2f3i s MET 37 Ca 0.00 1.72 0.03 0.00 -1.71 0.00 0.00 55.69 55.73 2f3i s MET 37 Cb 0.00 -2.39 -0.00 0.00 2.01 0.00 0.00 34.83 34.45 2f3i s MET 37 CO 0.00 -0.52 -0.21 0.34 -0.01 0.00 0.00 175.02 174.62 2f3i s ASP 38 N -1.43 3.31 -0.01 3.03 2.15 -0.62 -2.78 116.67 120.33 2f3i s ASP 38 Ca 0.64 -0.52 0.03 0.00 0.43 0.00 0.00 52.55 53.13 2f3i s ASP 38 Cb -0.27 -1.47 -0.00 0.00 -0.30 0.00 0.00 42.92 40.88 2f3i s ASP 38 CO 0.33 0.14 -0.08 -0.22 -0.17 0.00 0.00 175.17 175.16 2f3i s LEU 39 N 0.46 1.97 0.08 -1.34 2.96 -0.59 -1.51 118.68 120.71 2f3i s LEU 39 Ca -0.14 -0.16 0.08 0.00 -0.22 0.00 0.00 54.13 53.69 2f3i s LEU 39 Cb -0.17 -0.45 -0.03 0.00 0.50 0.00 0.00 46.19 46.04 2f3i s LEU 39 CO 0.06 0.10 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.35 2f3i s ILE 40 N -0.12 1.63 -0.08 6.68 -1.09 0.61 -0.52 121.20 128.31 2f3i s ILE 40 Ca 0.02 -1.40 -0.14 0.00 -2.23 0.00 0.00 60.65 56.90 2f3i s ILE 40 Cb -0.04 -1.46 0.03 0.00 -1.58 0.00 0.00 42.46 39.41 2f3i s ILE 40 CO -0.00 0.01 0.35 -0.76 -1.23 0.00 0.00 174.94 173.31 2f3i s LEU 41 N -1.64 0.67 -0.37 2.97 1.43 -0.45 -1.10 118.68 120.20 2f3i s LEU 41 Ca 0.06 0.45 0.01 0.00 -1.03 0.00 0.00 54.13 53.62 2f3i s LEU 41 Cb -0.10 1.30 0.12 0.00 0.03 0.00 0.00 46.19 47.55 2f3i s LEU 41 CO 0.03 -0.28 0.17 -0.62 0.23 0.00 0.00 176.35 175.88 2f3i s ASP 42 N -0.51 3.77 0.12 2.29 2.15 0.58 -0.31 116.67 124.75 2f3i s ASP 42 Ca -0.06 -2.13 0.01 0.00 0.43 0.00 0.00 52.55 50.80 2f3i s ASP 42 Cb -0.04 -0.90 -0.04 0.00 -0.30 0.00 0.00 42.92 41.64 2f3i s ASP 42 CO 0.02 -0.34 -0.03 0.54 -0.17 0.00 0.00 175.17 175.19 2f3i s VAL 43 N 1.01 0.60 -0.87 1.11 0.11 -0.58 -1.54 120.40 120.24 2f3i s VAL 43 Ca 0.14 -1.94 -0.25 0.00 -2.93 0.00 0.00 61.98 57.01 2f3i s VAL 43 Cb -0.21 -1.82 -0.06 0.00 -1.53 0.00 0.00 36.38 32.76 2f3i s VAL 43 CO -0.11 -0.74 2.00 0.21 -3.33 0.00 0.00 175.10 173.13 2f3i s ASN 44 N -3.07 4.99 0.00 3.54 2.47 -1.26 -1.52 114.94 120.09 2f3i s ASN 44 Ca 0.16 -0.51 0.09 0.00 0.42 0.00 0.00 52.86 53.02 2f3i s ASN 44 Cb 0.06 -2.56 0.56 0.00 -1.45 0.00 0.00 41.25 37.87 2f3i s ASN 44 CO -0.02 -2.87 1.00 2.30 -3.72 0.00 0.00 177.10 173.80 2f3i n ILE 45 N 7.95 0.00 0.30 -5.21 -6.64 0.80 -3.42 119.36 113.15 2f3i n ILE 45 Ca 0.40 0.00 0.07 0.00 -1.77 0.00 0.00 62.75 61.45 2f3i n ILE 45 Cb 0.47 -0.56 0.31 0.00 -1.44 0.00 0.00 39.64 38.41 2f3i n ILE 45 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2f3i n GLN 46 N -0.81 0.06 -0.02 6.28 10.64 -1.26 -0.76 117.38 131.52 2f3i n GLN 46 Ca 0.07 0.41 0.05 0.00 -1.83 0.00 0.00 57.00 55.70 2f3i n GLN 46 Cb 0.03 -1.64 0.43 0.00 -0.86 0.00 0.00 30.24 28.20 2f3i n GLN 46 CO 0.00 0.00 0.00 0.82 -1.83 0.00 0.00 177.06 176.05 2f3i h ILE 47 N 0.00 1.08 -3.19 -0.39 2.04 -1.94 -3.43 117.51 111.68 2f3i h ILE 47 Ca 0.00 -0.19 -0.51 0.00 1.00 0.00 0.00 64.86 65.16 2f3i h ILE 47 Cb 0.17 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 2f3i h ILE 47 CO 0.00 0.10 -0.14 -0.31 0.00 0.00 0.00 178.15 177.80 2f3i s TYR 48 N -5.49 3.48 0.23 1.37 1.51 0.06 -4.76 117.35 113.75 2f3i s TYR 48 Ca -0.08 0.63 0.26 0.00 -1.01 0.00 0.00 57.07 56.87 2f3i s TYR 48 Cb 0.18 -2.09 1.15 0.00 -0.11 0.00 0.00 41.96 41.09 2f3i s TYR 48 CO 0.73 0.16 1.93 -1.00 -1.11 0.00 0.00 175.55 176.26 2f3i h PRO 49 N 1.61 0.00 -3.59 -1.71 0.13 -1.83 -3.44 132.00 123.16 2f3i h PRO 49 Ca -0.48 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.53 2f3i h PRO 49 Cb 1.19 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.14 2f3i h PRO 49 CO 0.66 0.17 -0.43 0.08 -0.23 0.00 0.00 178.00 178.25 2f3i s VAL 50 N -3.83 0.11 0.55 1.56 1.01 -1.26 -5.04 120.40 113.50 2f3i s VAL 50 Ca -0.01 -0.90 0.27 0.00 0.00 0.00 0.00 61.98 61.35 2f3i s VAL 50 Cb 0.11 -0.83 0.40 0.00 0.00 0.00 0.00 36.38 36.07 2f3i s VAL 50 CO 0.61 -0.50 1.97 -0.78 0.00 0.00 0.00 175.10 176.40 2f3i h ASP 51 N 3.63 0.00 0.00 3.32 3.58 -1.86 -0.54 116.42 124.56 2f3i h ASP 51 Ca -0.32 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.13 2f3i h ASP 51 Cb 1.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.24 2f3i h ASP 51 CO 0.47 0.00 0.14 0.25 -2.88 0.00 0.00 179.24 177.23 2f3i h LEU 52 N 0.00 0.00 0.00 2.28 5.85 -1.96 -3.48 115.31 117.99 2f3i h LEU 52 Ca 0.26 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.98 2f3i h LEU 52 Cb 1.10 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.13 2f3i h LEU 52 CO -0.00 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.71 2f3i n GLY 53 N -1.23 -1.31 3.82 3.75 0.00 -0.21 -4.95 105.19 105.06 2f3i n GLY 53 Ca -0.02 -1.59 -0.05 0.00 0.00 0.00 0.00 46.02 44.36 2f3i n GLY 53 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2f3i s ASP 54 N -3.34 -0.09 0.50 1.61 2.15 -1.26 -4.73 116.67 111.51 2f3i s ASP 54 Ca 0.00 -0.73 -0.22 0.00 0.43 0.00 0.00 52.55 52.03 2f3i s ASP 54 Cb 0.00 0.64 -0.06 0.00 -0.30 0.00 0.00 42.92 43.19 2f3i s ASP 54 CO 0.00 -1.23 1.20 -0.54 -0.17 0.00 0.00 175.17 174.43 2f3i s LYS 55 N -2.79 3.50 0.13 4.34 1.02 -1.26 -4.21 119.74 120.47 2f3i s LYS 55 Ca 0.16 1.85 -0.01 0.00 0.02 0.00 0.00 55.97 57.99 2f3i s LYS 55 Cb -0.04 -2.27 0.01 0.00 -0.52 0.00 0.00 37.83 35.01 2f3i s LYS 55 CO 0.07 -0.79 0.19 1.97 -0.92 0.00 0.00 175.35 175.86 2f3i n PHE 56 N -0.82 -0.88 -4.17 3.18 -1.74 -0.56 -4.37 117.46 108.09 2f3i n PHE 56 Ca 0.09 -0.82 -0.17 0.00 -0.56 0.00 0.00 57.45 56.00 2f3i n PHE 56 Cb 0.48 0.21 -0.12 0.00 1.52 0.00 0.00 39.48 41.57 2f3i n PHE 56 CO 0.00 0.00 0.00 -0.98 -0.56 0.00 0.00 176.76 175.22 2f3i s ARG 57 N -2.25 0.70 0.02 3.97 1.70 0.32 -0.50 118.95 122.91 2f3i s ARG 57 Ca 0.10 -0.77 0.08 0.00 -0.47 0.00 0.00 55.73 54.67 2f3i s ARG 57 Cb -0.01 -0.62 -0.03 0.00 -0.57 0.00 0.00 34.95 33.73 2f3i s ARG 57 CO 0.07 0.14 -0.24 -1.17 -1.08 0.00 0.00 175.30 173.02 2f3i s LEU 58 N -1.39 2.26 0.04 -1.89 0.20 -0.49 -1.61 118.68 115.81 2f3i s LEU 58 Ca -0.04 -0.51 -0.00 0.00 0.69 0.00 0.00 54.13 54.28 2f3i s LEU 58 Cb -0.09 -1.36 -0.03 0.00 -0.43 0.00 0.00 46.19 44.28 2f3i s LEU 58 CO 0.01 0.28 -0.04 -0.69 -0.29 0.00 0.00 176.35 175.62 2f3i s VAL 59 N -0.78 0.24 0.06 1.68 1.01 0.33 -1.68 120.40 121.26 2f3i s VAL 59 Ca 0.12 -1.42 0.05 0.00 0.00 0.00 0.00 61.98 60.73 2f3i s VAL 59 Cb -0.10 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 2f3i s VAL 59 CO 0.02 -0.75 -0.15 -0.51 0.00 0.00 0.00 175.10 173.70 2f3i s ILE 60 N -2.77 1.19 0.00 2.22 2.07 -0.36 -1.80 121.20 121.75 2f3i s ILE 60 Ca -0.03 -1.22 0.00 0.00 -1.41 0.00 0.00 60.65 58.00 2f3i s ILE 60 Cb -0.00 -1.11 0.00 0.00 0.13 0.00 0.00 42.46 41.48 2f3i s ILE 60 CO -0.05 -0.11 0.00 0.00 -1.91 0.00 0.00 174.94 172.86 2f3i n ALA 61 N 1.49 0.00 -2.74 1.50 0.00 -1.26 -1.15 120.51 118.35 2f3i n ALA 61 Ca -0.20 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.14 2f3i n ALA 61 Cb 0.54 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.04 2f3i n ALA 61 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2f3i n SER 62 N -1.71 0.49 -4.41 0.00 7.64 -0.64 -4.72 113.62 110.28 2f3i n SER 62 Ca 0.00 -2.75 -0.49 0.00 1.01 0.00 0.00 58.87 56.64 2f3i n SER 62 Cb 0.00 -0.11 -0.11 0.00 -1.01 0.00 0.00 64.21 62.98 2f3i n SER 62 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2f3i n THR 63 N -0.10 0.03 0.65 0.44 -1.04 -0.46 -4.58 114.28 109.21 2f3i n THR 63 Ca 0.09 -0.12 0.13 0.00 -2.04 0.00 0.00 64.05 62.10 2f3i n THR 63 Cb 0.80 -0.92 0.46 0.00 -1.82 0.00 0.00 70.33 68.84 2f3i n THR 63 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2f3i n LEU 64 N 9.85 0.58 0.25 -4.42 7.94 0.05 -3.33 117.00 127.93 2f3i n LEU 64 Ca 0.55 0.57 0.17 0.00 -1.11 0.00 0.00 56.01 56.19 2f3i n LEU 64 Cb 0.09 -0.41 0.90 0.00 0.53 0.00 0.00 43.42 44.53 2f3i n LEU 64 CO 0.86 -0.22 1.14 1.88 -1.11 0.00 0.00 177.39 179.95 2f3i h TYR 65 N 0.00 0.00 -0.21 1.96 0.05 -1.83 -0.09 116.97 116.85 2f3i h TYR 65 Ca 0.00 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.66 2f3i h TYR 65 Cb 0.60 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.32 2f3i h TYR 65 CO 0.00 0.00 -0.38 0.93 -1.05 0.00 0.00 178.16 177.66 2f3i h GLU 66 N 0.00 0.46 -0.06 4.88 5.08 -1.89 -2.86 114.58 120.19 2f3i h GLU 66 Ca 0.05 -0.22 -0.15 0.00 -1.00 0.00 0.00 59.36 58.04 2f3i h GLU 66 Cb 0.30 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2f3i h GLU 66 CO -0.00 0.77 -0.65 0.22 -1.00 0.00 0.00 179.01 178.35 2f3i h ASP 67 N 0.38 0.27 0.00 1.42 3.58 -1.27 -3.48 116.42 117.33 2f3i h ASP 67 Ca 0.04 -0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.32 2f3i h ASP 67 Cb 0.84 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.81 2f3i h ASP 67 CO 0.07 0.85 0.00 0.61 -2.88 0.00 0.00 179.24 177.88 2f3i n GLY 68 N 0.37 0.77 0.35 -0.78 0.00 -0.73 -5.03 105.19 100.13 2f3i n GLY 68 Ca -0.03 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.08 2f3i n GLY 68 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2f3i h THR 69 N 0.00 0.97 0.00 2.61 2.02 -1.71 -0.21 112.91 116.59 2f3i h THR 69 Ca 0.00 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.96 2f3i h THR 69 Cb 0.00 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 66.67 2f3i h THR 69 CO 0.00 0.12 0.00 0.00 0.37 0.00 0.00 175.52 176.01 2f3i n LEU 70 N -4.49 0.52 -0.03 2.58 -0.00 -1.26 -0.94 117.00 113.39 2f3i n LEU 70 Ca 0.11 0.58 -0.09 0.00 -0.00 0.00 0.00 56.01 56.61 2f3i n LEU 70 Cb 0.29 -0.45 -0.14 0.00 -0.00 0.00 0.00 43.42 43.13 2f3i n LEU 70 CO 0.33 -0.26 -0.58 -0.67 -0.00 0.00 0.00 177.39 176.21 2f3i n ASP 71 N -2.02 0.81 0.25 1.45 2.03 -0.22 -3.46 116.55 115.39 2f3i n ASP 71 Ca 0.05 0.38 0.13 0.00 0.52 0.00 0.00 54.79 55.86 2f3i n ASP 71 Cb 0.33 0.02 0.58 0.00 -0.72 0.00 0.00 41.12 41.33 2f3i n ASP 71 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2f3i h ASP 72 N 0.00 0.00 0.00 1.67 3.58 -0.70 -3.46 116.42 117.51 2f3i h ASP 72 Ca -0.31 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.14 2f3i h ASP 72 Cb 2.04 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.09 2f3i h ASP 72 CO 0.07 0.13 0.00 0.61 -2.88 0.00 0.00 179.24 177.17 2f3i n GLY 73 N 0.00 0.22 1.57 -0.78 0.00 -0.64 -5.05 105.19 100.52 2f3i n GLY 73 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2f3i n GLY 73 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2f3i n GLU 74 N 0.00 1.14 -1.89 1.61 2.13 -0.12 -4.78 120.64 118.74 2f3i n GLU 74 Ca 0.00 -0.19 -0.39 0.00 0.66 0.00 0.00 57.16 57.24 2f3i n GLU 74 Cb 0.00 -1.13 -0.03 0.00 0.27 0.00 0.00 31.44 30.55 2f3i n GLU 74 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 2f3i n TYR 75 N 1.52 3.17 -1.70 4.31 9.36 -1.22 -4.27 117.16 128.33 2f3i n TYR 75 Ca 0.06 -2.23 -0.43 0.00 3.32 0.00 0.00 57.90 58.63 2f3i n TYR 75 Cb 0.54 -2.37 -0.03 0.00 -0.63 0.00 0.00 39.34 36.85 2f3i n TYR 75 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2f3i n ASN 76 N 9.31 3.94 -0.14 2.98 2.85 -1.26 -4.88 115.26 128.05 2f3i n ASN 76 Ca 0.49 1.02 0.23 0.00 -0.11 0.00 0.00 54.58 56.21 2f3i n ASN 76 Cb 0.43 -1.54 0.65 0.00 1.24 0.00 0.00 39.78 40.56 2f3i n ASN 76 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2f3i h PRO 77 N 7.65 0.11 0.00 1.20 0.11 -1.98 -1.07 132.00 138.02 2f3i h PRO 77 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2f3i h PRO 77 Cb 1.22 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2f3i h PRO 77 CO 0.95 0.08 0.00 2.41 -0.21 0.00 0.00 178.00 181.22 2f3i n THR 78 N -4.37 1.05 0.31 -1.15 -1.04 -1.26 -2.37 114.28 105.45 2f3i n THR 78 Ca 0.16 0.31 0.20 0.00 -2.04 0.00 0.00 64.05 62.68 2f3i n THR 78 Cb 0.77 -1.18 0.98 0.00 -1.82 0.00 0.00 70.33 69.08 2f3i n THR 78 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 2f3i h ASP 79 N 0.00 0.00 0.00 8.00 3.58 -1.56 -3.25 116.42 123.18 2f3i h ASP 79 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2f3i h ASP 79 Cb 0.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.29 2f3i h ASP 79 CO 0.00 0.00 0.00 -0.67 -2.88 0.00 0.00 179.24 175.69 2f3i n ASP 80 N -3.06 0.30 -4.04 2.28 2.03 -1.00 -4.84 116.55 108.22 2f3i n ASP 80 Ca -0.01 -1.09 -0.26 0.00 0.52 0.00 0.00 54.79 53.94 2f3i n ASP 80 Cb 0.17 0.00 -0.17 0.00 -0.72 0.00 0.00 41.12 40.41 2f3i n ASP 80 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2f3i s ARG 81 N -0.09 1.94 -0.22 -0.67 0.52 -1.03 -4.79 118.95 114.62 2f3i s ARG 81 Ca 0.00 -0.48 -0.05 0.00 -0.52 0.00 0.00 55.73 54.68 2f3i s ARG 81 Cb 0.00 -1.62 0.01 0.00 0.52 0.00 0.00 34.95 33.86 2f3i s ARG 81 CO 0.00 0.00 0.09 -2.30 0.02 0.00 0.00 175.30 173.11 2f3i n PRO 82 N 3.95 -0.93 0.00 3.54 -0.02 -1.26 -4.43 135.00 135.85 2f3i n PRO 82 Ca -0.21 -0.35 0.00 0.00 -2.02 0.00 0.00 63.50 60.93 2f3i n PRO 82 Cb 0.52 0.19 0.00 0.00 -0.02 0.00 0.00 33.50 34.19 2f3i n PRO 82 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2f3i n SER 83 N 0.29 0.43 -4.75 2.55 3.41 -1.25 -4.84 113.62 109.47 2f3i n SER 83 Ca -0.03 -0.58 -0.38 0.00 -0.26 0.00 0.00 58.87 57.63 2f3i n SER 83 Cb 0.10 -0.14 0.04 0.00 -0.26 0.00 0.00 64.21 63.94 2f3i n SER 83 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2f3i s ARG 84 N -0.57 3.09 0.95 4.33 3.00 -1.26 -4.98 118.95 123.50 2f3i s ARG 84 Ca 0.00 2.15 -0.11 0.00 -1.00 0.00 0.00 55.73 56.77 2f3i s ARG 84 Cb 0.00 -2.19 0.16 0.00 0.00 0.00 0.00 34.95 32.92 2f3i s ARG 84 CO 0.00 -1.20 1.08 0.00 0.00 0.00 0.00 175.30 175.18 2f3i n ALA 85 N -1.15 -1.17 0.00 6.12 0.00 -1.26 -4.93 120.51 118.12 2f3i n ALA 85 Ca 0.11 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2f3i n ALA 85 Cb 0.46 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.76 2f3i n ALA 85 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2f3i n ASP 86 N -4.12 0.00 -0.12 0.00 2.03 -1.26 -4.90 116.55 108.19 2f3i n ASP 86 Ca 0.11 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.37 2f3i n ASP 86 Cb 0.52 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.94 2f3i n ASP 86 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2f3i h GLN 87 N 0.00 0.05 -4.00 -0.67 7.50 -2.01 -3.45 115.11 112.53 2f3i h GLN 87 Ca 0.00 -0.00 -0.12 0.00 0.50 0.00 0.00 58.65 59.02 2f3i h GLN 87 Cb 0.00 -0.01 -0.12 0.00 0.05 0.00 0.00 27.48 27.40 2f3i h GLN 87 CO 0.00 0.03 -0.34 -0.06 -1.50 0.00 0.00 178.83 176.96 2f3i s PHE 88 N -6.20 0.58 0.06 2.96 0.08 -1.26 -5.04 117.98 109.17 2f3i s PHE 88 Ca -0.14 -0.91 0.06 0.00 0.12 0.00 0.00 56.93 56.06 2f3i s PHE 88 Cb 0.14 -0.12 -0.23 0.00 -0.57 0.00 0.00 43.02 42.24 2f3i s PHE 88 CO 0.71 -0.78 1.07 0.93 -0.10 0.00 0.00 175.22 177.05 2f3i h GLU 89 N 2.49 0.06 -3.25 0.44 4.39 -1.22 -3.44 114.58 114.05 2f3i h GLU 89 Ca -0.31 -0.10 -0.13 0.00 0.34 0.00 0.00 59.36 59.16 2f3i h GLU 89 Cb 1.24 0.04 -0.20 0.00 -0.10 0.00 0.00 28.75 29.73 2f3i h GLU 89 CO 0.46 0.93 -0.36 -0.47 -1.16 0.00 0.00 179.01 178.40 2f3i s TYR 90 N -2.67 -0.08 -0.05 4.33 5.04 -0.55 -4.97 117.35 118.40 2f3i s TYR 90 Ca -0.02 0.08 -0.04 0.00 -2.44 0.00 0.00 57.07 54.64 2f3i s TYR 90 Cb 0.09 0.03 0.02 0.00 0.35 0.00 0.00 41.96 42.45 2f3i s TYR 90 CO 0.83 -0.35 0.13 0.08 -1.34 0.00 0.00 175.55 174.90 2f3i s VAL 91 N -1.43 -0.01 0.25 3.14 1.01 -1.26 -1.03 120.40 121.07 2f3i s VAL 91 Ca -0.14 0.02 -0.15 0.00 0.00 0.00 0.00 61.98 61.71 2f3i s VAL 91 Cb -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 36.38 36.13 2f3i s VAL 91 CO 0.03 0.01 0.54 -0.32 0.00 0.00 0.00 175.10 175.36 2f3i s MET 92 N 0.19 1.59 -0.37 2.72 1.75 0.34 -5.00 119.30 120.54 2f3i s MET 92 Ca -0.01 -1.16 0.00 0.00 -1.25 0.00 0.00 55.69 53.27 2f3i s MET 92 Cb -0.02 0.51 0.12 0.00 2.84 0.00 0.00 34.83 38.28 2f3i s MET 92 CO -0.01 -0.68 0.18 0.71 -0.65 0.00 0.00 175.02 174.58 2f3i s TYR 93 N -3.98 1.38 0.00 4.11 2.02 -1.25 -1.65 117.35 117.98 2f3i s TYR 93 Ca 0.19 -1.86 0.00 0.00 -0.37 0.00 0.00 57.07 55.03 2f3i s TYR 93 Cb -0.02 -1.47 0.00 0.00 -0.40 0.00 0.00 41.96 40.07 2f3i s TYR 93 CO 0.08 -0.83 0.00 0.41 -1.57 0.00 0.00 175.55 173.64 2f3i n GLY 94 N 4.20 0.87 2.76 0.71 0.00 0.32 -4.69 105.19 109.36 2f3i n GLY 94 Ca 0.05 -1.92 -0.27 0.00 0.00 0.00 0.00 46.02 43.88 2f3i n GLY 94 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2f3i s LYS 95 N 0.05 0.73 0.52 1.61 2.20 0.37 -4.67 119.74 120.55 2f3i s LYS 95 Ca 0.00 -0.37 -0.20 0.00 -0.36 0.00 0.00 55.97 55.04 2f3i s LYS 95 Cb 0.00 -1.95 -0.06 0.00 -1.51 0.00 0.00 37.83 34.31 2f3i s LYS 95 CO 0.00 -0.57 1.14 0.08 -0.36 0.00 0.00 175.35 175.63 2f3i s VAL 96 N 1.84 3.16 -0.38 4.02 1.01 -1.25 -1.75 120.40 127.06 2f3i s VAL 96 Ca -0.00 0.76 0.12 0.00 0.00 0.00 0.00 61.98 62.86 2f3i s VAL 96 Cb -0.16 -3.33 0.36 0.00 0.00 0.00 0.00 36.38 33.25 2f3i s VAL 96 CO -0.07 -0.12 0.83 0.00 0.00 0.00 0.00 175.10 175.73 2f3i n TYR 97 N -1.07 -0.21 -3.98 5.22 4.11 0.11 -4.95 117.16 116.39 2f3i n TYR 97 Ca 0.10 -3.41 -0.08 0.00 -0.00 0.00 0.00 57.90 54.51 2f3i n TYR 97 Cb 0.50 -0.07 -0.09 0.00 -0.00 0.00 0.00 39.34 39.68 2f3i n TYR 97 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 2f3i s ARG 98 N -2.06 0.78 0.67 -3.48 1.81 -1.26 -4.66 118.95 110.75 2f3i s ARG 98 Ca 0.35 -1.12 -0.09 0.00 -1.72 0.00 0.00 55.73 53.15 2f3i s ARG 98 Cb 0.36 0.28 0.15 0.00 -0.45 0.00 0.00 34.95 35.29 2f3i s ARG 98 CO -0.06 -0.21 0.91 0.44 -0.68 0.00 0.00 175.30 175.70 2f3i n ILE 99 N -0.01 0.00 0.27 1.52 -0.00 -1.26 -4.85 119.36 115.03 2f3i n ILE 99 Ca -0.13 -0.85 0.03 0.00 -0.00 0.00 0.00 62.75 61.80 2f3i n ILE 99 Cb 0.62 -1.47 0.15 0.00 -0.00 0.00 0.00 39.64 38.94 2f3i n ILE 99 CO 0.00 0.00 0.00 -1.84 -0.00 0.00 0.00 176.55 174.71 2f3i n GLU 100 N -2.88 0.06 0.00 6.28 0.28 -1.26 -4.29 120.64 118.83 2f3i n GLU 100 Ca 0.12 0.28 0.00 0.00 -0.16 0.00 0.00 57.16 57.40 2f3i n GLU 100 Cb 0.43 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.80 2f3i n GLU 100 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2f3i n GLY 101 N -0.80 2.86 0.00 -1.84 0.00 -1.26 -4.07 105.19 100.09 2f3i n GLY 101 Ca 0.02 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.56 2f3i n GLY 101 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2f3i n ASP 102 N 0.00 0.00 -2.71 1.61 2.03 -1.26 -4.87 116.55 111.34 2f3i n ASP 102 Ca 0.00 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.26 2f3i n ASP 102 Cb 0.00 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.44 2f3i n ASP 102 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2f3i n GLU 103 N 0.00 0.41 0.00 -0.67 4.07 -1.26 -4.97 120.64 118.21 2f3i n GLU 103 Ca 0.00 -1.33 0.00 0.00 -0.06 0.00 0.00 57.16 55.77 2f3i n GLU 103 Cb 0.00 -0.80 0.00 0.00 -0.06 0.00 0.00 31.44 30.58 2f3i n GLU 103 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 2f3i n THR 104 N 2.13 0.00 -0.26 6.31 5.66 -1.26 -4.87 114.28 121.98 2f3i n THR 104 Ca 0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.10 2f3i n THR 104 Cb 0.64 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.42 2f3i n THR 104 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2f3i n SER 105 N 0.00 1.43 0.00 1.09 7.64 -1.26 -4.96 113.62 117.56 2f3i n SER 105 Ca 0.00 -1.70 0.00 0.00 1.01 0.00 0.00 58.87 58.18 2f3i n SER 105 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2f3i n SER 105 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2f3i n THR 106 N -0.35 0.00 -0.78 0.44 -1.04 -1.26 -5.03 114.28 106.27 2f3i n THR 106 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2f3i n THR 106 Cb 0.30 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.81 2f3i n THR 106 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 2f3i n GLU 107 N -0.08 0.00 -0.07 -2.82 0.28 -1.26 -4.72 120.64 111.97 2f3i n GLU 107 Ca 0.00 -0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.87 2f3i n GLU 107 Cb 0.00 -0.39 -0.06 0.00 1.43 0.00 0.00 31.44 32.42 2f3i n GLU 107 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2f3i n ALA 108 N -0.00 1.93 -2.61 -1.84 0.00 -1.26 -4.98 120.51 111.75 2f3i n ALA 108 Ca 0.00 -0.58 -0.30 0.00 0.00 0.00 0.00 53.44 52.56 2f3i n ALA 108 Cb 0.20 0.27 -0.09 0.00 0.00 0.00 0.00 19.45 19.82 2f3i n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2f3i s ALA 109 N -2.27 3.05 0.00 0.00 0.00 -1.26 -5.02 121.76 116.26 2f3i s ALA 109 Ca -0.20 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.58 2f3i s ALA 109 Cb 0.07 -1.00 0.00 0.00 0.00 0.00 0.00 23.12 22.19 2f3i s ALA 109 CO 0.28 0.65 0.18 0.25 0.00 0.00 0.00 175.76 177.12 2f3i n THR 110 N 0.78 0.00 -4.50 0.00 -2.24 -1.26 -4.11 114.28 102.94 2f3i n THR 110 Ca -0.13 -0.28 -0.22 0.00 -2.27 0.00 0.00 64.05 61.15 2f3i n THR 110 Cb 0.52 1.27 -0.14 0.00 -2.10 0.00 0.00 70.33 69.88 2f3i n THR 110 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2f3i s ARG 111 N -0.22 1.10 0.18 -0.78 3.00 -1.26 -4.36 118.95 116.62 2f3i s ARG 111 Ca 0.00 -0.74 -0.08 0.00 0.00 0.00 0.00 55.73 54.91 2f3i s ARG 111 Cb 0.00 -1.13 -0.06 0.00 0.00 0.00 0.00 34.95 33.76 2f3i s ARG 111 CO 0.00 0.29 0.47 -1.17 0.00 0.00 0.00 175.30 174.89 2f3i s LEU 112 N -0.94 4.23 0.05 2.53 0.20 0.48 -4.28 118.68 120.96 2f3i s LEU 112 Ca 0.04 0.80 0.07 0.00 0.69 0.00 0.00 54.13 55.73 2f3i s LEU 112 Cb -0.07 -3.44 -0.03 0.00 -0.43 0.00 0.00 46.19 42.21 2f3i s LEU 112 CO 0.01 0.01 -0.18 -0.94 -0.29 0.00 0.00 176.35 174.96 2f3i s SER 113 N -2.27 3.84 -0.29 3.68 1.04 -1.26 -1.78 113.70 116.66 2f3i s SER 113 Ca 0.43 -0.44 -0.04 0.00 0.48 0.00 0.00 55.95 56.38 2f3i s SER 113 Cb -0.12 -0.62 0.10 0.00 0.10 0.00 0.00 66.02 65.48 2f3i s SER 113 CO 0.22 0.24 0.13 0.00 0.98 0.00 0.00 173.24 174.81 2f3i s ALA 114 N -0.97 0.68 -0.18 5.32 0.00 0.44 -4.66 121.76 122.40 2f3i s ALA 114 Ca 0.15 -1.12 -0.14 0.00 0.00 0.00 0.00 51.96 50.85 2f3i s ALA 114 Cb -0.11 -1.40 -0.04 0.00 0.00 0.00 0.00 23.12 21.57 2f3i s ALA 114 CO 0.06 -1.64 0.33 0.71 0.00 0.00 0.00 175.76 175.22 2f3i s TYR 115 N 2.07 3.42 -0.00 0.00 1.51 -1.26 -0.83 117.35 122.25 2f3i s TYR 115 Ca 0.09 0.59 -0.00 0.00 -1.01 0.00 0.00 57.07 56.74 2f3i s TYR 115 Cb -0.16 -2.41 0.01 0.00 -0.11 0.00 0.00 41.96 39.29 2f3i s TYR 115 CO -0.36 0.14 0.01 0.08 -1.11 0.00 0.00 175.55 174.31 2f3i s VAL 116 N 0.79 -0.01 -0.05 0.71 1.01 -0.60 -0.72 120.40 121.53 2f3i s VAL 116 Ca 0.17 0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.25 2f3i s VAL 116 Cb -0.14 -0.03 -0.02 0.00 0.00 0.00 0.00 36.38 36.20 2f3i s VAL 116 CO 0.05 0.02 -0.21 -0.55 0.00 0.00 0.00 175.10 174.42 2f3i s SER 117 N 0.25 3.48 -0.26 3.32 0.15 -0.71 -1.31 113.70 118.61 2f3i s SER 117 Ca -0.02 -0.37 -0.01 0.00 0.70 0.00 0.00 55.95 56.24 2f3i s SER 117 Cb -0.03 -0.76 0.14 0.00 -1.71 0.00 0.00 66.02 63.65 2f3i s SER 117 CO -0.01 0.29 0.36 -0.72 1.20 0.00 0.00 173.24 174.36 2f3i s TYR 118 N -0.44 -0.75 -1.99 3.44 1.13 -0.03 -0.48 117.35 118.22 2f3i s TYR 118 Ca 0.05 0.46 0.00 0.00 -1.41 0.00 0.00 57.07 56.17 2f3i s TYR 118 Cb -0.12 -0.15 0.00 0.00 -1.10 0.00 0.00 41.96 40.59 2f3i s TYR 118 CO 0.01 -0.81 0.00 0.41 -2.51 0.00 0.00 175.55 172.65 2f3i n GLY 119 N 5.35 1.33 0.59 5.49 0.00 -1.26 -1.14 105.19 115.54 2f3i n GLY 119 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2f3i n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f3i n GLY 120 N -0.67 1.56 3.91 -0.02 0.00 -1.26 -5.07 105.19 103.64 2f3i n GLY 120 Ca -0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 2f3i n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2f3i s LEU 121 N 0.00 3.24 0.05 0.99 2.01 -0.29 -5.06 118.68 119.62 2f3i s LEU 121 Ca 0.00 0.80 -0.09 0.00 0.01 0.00 0.00 54.13 54.85 2f3i s LEU 121 Cb 0.00 -3.64 -0.00 0.00 0.01 0.00 0.00 46.19 42.56 2f3i s LEU 121 CO 0.00 -1.04 0.18 -0.22 1.01 0.00 0.00 176.35 176.28 2f3i s LEU 122 N -5.01 1.46 0.12 1.79 0.20 -0.59 -0.85 118.68 115.80 2f3i s LEU 122 Ca 0.54 -0.46 -0.12 0.00 0.69 0.00 0.00 54.13 54.77 2f3i s LEU 122 Cb -0.11 0.91 0.01 0.00 -0.43 0.00 0.00 46.19 46.58 2f3i s LEU 122 CO 0.46 -0.58 0.31 0.00 -0.29 0.00 0.00 176.35 176.25 2f3i s MET 123 N -2.85 1.01 -0.04 1.98 0.23 -0.43 -0.31 119.30 118.89 2f3i s MET 123 Ca -0.03 -0.88 0.00 0.00 -1.03 0.00 0.00 55.69 53.76 2f3i s MET 123 Cb 0.00 0.41 0.02 0.00 -1.53 0.00 0.00 34.83 33.74 2f3i s MET 123 CO -0.05 -0.37 -0.02 0.50 -2.03 0.00 0.00 175.02 173.05 2f3i s ARG 124 N -3.85 0.57 -0.02 3.16 3.52 -0.26 -1.55 118.95 120.52 2f3i s ARG 124 Ca 0.06 0.02 -0.03 0.00 -0.13 0.00 0.00 55.73 55.65 2f3i s ARG 124 Cb 0.03 -0.73 0.01 0.00 -1.56 0.00 0.00 34.95 32.69 2f3i s ARG 124 CO -0.09 -0.15 0.07 -1.17 -0.81 0.00 0.00 175.30 173.14 2f3i s LEU 125 N 1.20 1.75 0.03 -0.88 2.96 -0.01 -0.28 118.68 123.45 2f3i s LEU 125 Ca -0.07 0.11 0.04 0.00 -0.22 0.00 0.00 54.13 53.98 2f3i s LEU 125 Cb -0.14 0.25 -0.02 0.00 0.50 0.00 0.00 46.19 46.79 2f3i s LEU 125 CO -0.02 -0.05 -0.11 -1.10 -1.32 0.00 0.00 176.35 173.76 2f3i s GLN 126 N -0.06 0.75 0.10 1.98 -0.21 -0.57 -0.42 119.66 121.22 2f3i s GLN 126 Ca -0.01 -0.66 -0.25 0.00 0.02 0.00 0.00 55.36 54.46 2f3i s GLN 126 Cb -0.01 -0.69 0.09 0.00 1.00 0.00 0.00 33.01 33.39 2f3i s GLN 126 CO 0.00 0.17 1.14 0.20 -2.12 0.00 0.00 175.29 174.68 2f3i s GLY 127 N -1.07 -0.02 0.37 3.09 0.00 -0.73 -1.58 107.32 107.37 2f3i s GLY 127 Ca -0.01 -0.12 -0.27 0.00 0.00 0.00 0.00 44.72 44.32 2f3i s GLY 127 CO 0.01 3.34 1.34 1.34 0.00 0.00 0.00 173.10 179.12 2f3i n ASP 128 N -1.09 2.99 0.13 1.64 -0.08 -1.26 -0.39 116.55 118.50 2f3i n ASP 128 Ca -0.01 1.19 -0.13 0.00 -1.51 0.00 0.00 54.79 54.32 2f3i n ASP 128 Cb 0.59 -1.53 -0.08 0.00 2.34 0.00 0.00 41.12 42.45 2f3i n ASP 128 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2f3i h ALA 129 N 2.53 -0.96 0.00 -1.67 0.00 -1.88 -0.52 119.26 116.77 2f3i h ALA 129 Ca -0.48 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.30 2f3i h ALA 129 Cb 1.27 0.76 -0.00 0.00 0.00 0.00 0.00 17.79 19.82 2f3i h ALA 129 CO 0.62 -1.04 -0.13 -2.95 0.00 0.00 0.00 179.25 175.76 2f3i h ASN 130 N -0.66 0.00 -0.08 0.00 -0.00 -1.96 0.20 115.58 113.09 2f3i h ASN 130 Ca -0.02 0.00 -0.11 0.00 -0.00 0.00 0.00 56.30 56.17 2f3i h ASN 130 Cb 0.63 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.93 2f3i h ASN 130 CO -0.17 0.13 -0.32 -1.13 -0.00 0.00 0.00 177.43 175.94 2f3i h ASN 131 N 0.00 0.57 0.50 6.14 -1.24 -1.86 -3.21 115.58 116.48 2f3i h ASN 131 Ca -0.00 -0.22 0.00 0.00 0.71 0.00 0.00 56.30 56.79 2f3i h ASN 131 Cb 0.41 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.31 2f3i h ASN 131 CO 0.02 0.85 -1.42 -0.11 -1.29 0.00 0.00 177.43 175.48 2f3i n LEU 132 N -4.08 0.47 -4.38 0.34 7.94 -0.04 -4.98 117.00 112.27 2f3i n LEU 132 Ca -0.01 0.14 -0.38 0.00 -1.11 0.00 0.00 56.01 54.65 2f3i n LEU 132 Cb 0.46 -0.04 -0.06 0.00 0.53 0.00 0.00 43.42 44.31 2f3i n LEU 132 CO 0.44 -0.08 -0.17 1.57 -1.11 0.00 0.00 177.39 178.04 2f3i n HIS 133 N -2.40 -1.38 -0.96 1.96 -0.00 0.52 -4.86 115.22 108.09 2f3i n HIS 133 Ca -0.01 0.71 0.07 0.00 -0.00 0.00 0.00 57.72 58.50 2f3i n HIS 133 Cb 0.54 -2.45 0.33 0.00 -0.00 0.00 0.00 29.99 28.41 2f3i n HIS 133 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2f3i n GLY 134 N -1.45 3.56 0.00 1.57 0.00 -1.26 -4.38 105.19 103.23 2f3i n GLY 134 Ca 0.01 -0.99 0.01 0.00 0.00 0.00 0.00 46.02 45.05 2f3i n GLY 134 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2f3i n PHE 135 N 0.02 0.00 -4.38 1.61 1.16 -1.26 -4.43 117.46 110.18 2f3i n PHE 135 Ca 0.25 0.00 -0.22 0.00 -1.87 0.00 0.00 57.45 55.61 2f3i n PHE 135 Cb 1.05 0.00 -0.16 0.00 -1.61 0.00 0.00 39.48 38.76 2f3i n PHE 135 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 2f3i s GLU 136 N -2.00 1.19 0.01 3.97 2.02 -1.26 -4.98 118.70 117.65 2f3i s GLU 136 Ca 0.04 -0.26 0.01 0.00 0.02 0.00 0.00 54.97 54.77 2f3i s GLU 136 Cb 0.02 -1.06 0.03 0.00 0.10 0.00 0.00 34.13 33.22 2f3i s GLU 136 CO 0.03 0.00 0.96 1.55 0.02 0.00 0.00 175.26 177.82 2f3i n VAL 137 N 3.79 1.74 -0.46 2.63 3.14 -1.26 -1.18 118.33 126.73 2f3i n VAL 137 Ca -0.23 0.51 0.02 0.00 -2.96 0.00 0.00 64.34 61.68 2f3i n VAL 137 Cb 0.52 -1.51 0.03 0.00 -1.06 0.00 0.00 33.84 31.82 2f3i n VAL 137 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2f3i n ASP 138 N -1.46 1.72 -0.07 6.55 2.03 -1.26 -3.89 116.55 120.17 2f3i n ASP 138 Ca -0.00 -2.11 -0.06 0.00 0.52 0.00 0.00 54.79 53.14 2f3i n ASP 138 Cb 0.06 -0.11 -0.02 0.00 -0.72 0.00 0.00 41.12 40.33 2f3i n ASP 138 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2f3i h SER 139 N 0.00 0.00 0.00 1.67 0.02 -1.46 -3.41 113.55 110.37 2f3i h SER 139 Ca 0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 2f3i h SER 139 Cb 0.72 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.26 2f3i h SER 139 CO 0.00 0.80 0.00 -1.14 -1.14 0.00 0.00 176.83 175.35 2f3i n ARG 140 N -4.61 0.78 -0.25 3.45 3.00 -1.22 -2.42 116.66 115.39 2f3i n ARG 140 Ca -0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 57.85 57.76 2f3i n ARG 140 Cb 0.28 -1.40 0.21 0.00 0.00 0.00 0.00 32.46 31.56 2f3i n ARG 140 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.63 177.24 2f3i h VAL 141 N 0.00 1.21 -2.83 5.15 -1.51 -1.79 -3.40 116.25 113.08 2f3i h VAL 141 Ca 0.00 -0.41 -0.56 0.00 -1.23 0.00 0.00 66.70 64.50 2f3i h VAL 141 Cb 0.00 0.06 -0.03 0.00 -2.13 0.00 0.00 31.29 29.19 2f3i h VAL 141 CO 0.00 0.21 1.00 -0.31 -1.23 0.00 0.00 177.57 177.24 2f3i s TYR 142 N -5.87 2.44 -0.05 5.19 2.02 -1.02 -0.52 117.35 119.56 2f3i s TYR 142 Ca -0.11 0.68 -0.02 0.00 -0.37 0.00 0.00 57.07 57.25 2f3i s TYR 142 Cb 0.18 -3.76 0.03 0.00 -0.40 0.00 0.00 41.96 38.01 2f3i s TYR 142 CO 0.79 -2.54 0.04 -1.17 -1.57 0.00 0.00 175.55 171.11 2f3i s LEU 143 N 4.07 0.31 0.03 -1.29 2.96 -0.66 -4.26 118.68 119.84 2f3i s LEU 143 Ca 0.63 0.04 0.01 0.00 -0.22 0.00 0.00 54.13 54.59 2f3i s LEU 143 Cb -0.25 -0.21 -0.02 0.00 0.50 0.00 0.00 46.19 46.21 2f3i s LEU 143 CO 0.22 -0.23 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.22 2f3i s LEU 144 N 2.05 2.23 -0.02 -0.68 1.02 -0.74 -0.50 118.68 122.04 2f3i s LEU 144 Ca 0.04 -0.49 -0.04 0.00 0.02 0.00 0.00 54.13 53.66 2f3i s LEU 144 Cb -0.12 0.00 0.00 0.00 0.02 0.00 0.00 46.19 46.09 2f3i s LEU 144 CO -0.03 -0.25 0.10 -0.04 0.02 0.00 0.00 176.35 176.15 2f3i s MET 145 N -1.41 0.27 0.13 1.70 -1.94 -0.20 -0.52 119.30 117.33 2f3i s MET 145 Ca -0.13 -0.13 -0.14 0.00 -1.71 0.00 0.00 55.69 53.57 2f3i s MET 145 Cb -0.09 0.11 0.03 0.00 2.01 0.00 0.00 34.83 36.88 2f3i s MET 145 CO -0.00 -0.05 0.37 0.21 -0.01 0.00 0.00 175.02 175.53 2f3i s LYS 146 N -0.62 1.06 0.79 2.03 2.20 -0.63 -0.67 119.74 123.90 2f3i s LYS 146 Ca -0.07 -0.80 -0.13 0.00 -0.36 0.00 0.00 55.97 54.62 2f3i s LYS 146 Cb -0.04 0.45 0.07 0.00 -1.51 0.00 0.00 37.83 36.80 2f3i s LYS 146 CO 0.00 -0.41 1.16 -1.59 -0.36 0.00 0.00 175.35 174.15 2f3i s LYS 147 N -3.83 1.88 0.95 4.03 -2.85 -1.26 -0.52 119.74 118.13 2f3i s LYS 147 Ca 0.05 1.54 -0.12 0.00 -1.00 0.00 0.00 55.97 56.44 2f3i s LYS 147 Cb 0.02 -1.82 0.16 0.00 -2.06 0.00 0.00 37.83 34.13 2f3i s LYS 147 CO -0.10 -1.99 1.09 -0.48 0.10 0.00 0.00 175.35 173.97 2f3i s LEU 148 N -5.73 2.06 -0.03 2.77 0.05 -1.26 -4.53 118.68 112.01 2f3i s LEU 148 Ca 0.69 1.56 -0.03 0.00 0.05 0.00 0.00 54.13 56.40 2f3i s LEU 148 Cb -0.24 -3.88 0.01 0.00 -2.05 0.00 0.00 46.19 40.03 2f3i s LEU 148 CO 0.51 -2.98 0.08 0.00 -0.55 0.00 0.00 176.35 173.40 2f3i s ALA 149 N -2.82 -0.19 0.00 1.48 0.00 -1.26 -5.04 121.76 113.93 2f3i s ALA 149 Ca 0.65 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.82 2f3i s ALA 149 Cb -0.20 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.80 2f3i s ALA 149 CO 0.58 -0.04 0.00 1.19 0.00 0.00 0.00 175.76 177.50