#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f3i n ALA 2 N 0.00 -1.95 -3.06 3.04 0.00 -1.17 -4.89 120.51 112.48 2f3i n ALA 2 Ca 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 53.44 53.16 2f3i n ALA 2 Cb 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.00 2f3i n ALA 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2f3i n GLY 3 N -2.09 1.19 3.68 0.00 0.00 -1.26 -4.68 105.19 102.03 2f3i n GLY 3 Ca -0.28 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.52 2f3i n GLY 3 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2f3i s ILE 4 N -2.50 2.15 0.00 -0.61 -5.25 -1.26 -4.21 121.20 109.53 2f3i s ILE 4 Ca 0.02 0.05 0.00 0.00 -0.99 0.00 0.00 60.65 59.73 2f3i s ILE 4 Cb -0.00 -2.55 0.00 0.00 2.95 0.00 0.00 42.46 42.86 2f3i s ILE 4 CO 0.00 -0.07 0.00 -0.11 -1.79 0.00 0.00 174.94 172.98 2f3i n LEU 5 N -4.13 0.00 -3.86 0.37 7.94 -1.26 -4.75 117.00 111.31 2f3i n LEU 5 Ca 0.05 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.84 2f3i n LEU 5 Cb 0.57 0.14 -0.12 0.00 0.53 0.00 0.00 43.42 44.54 2f3i n LEU 5 CO 0.57 -0.20 -0.23 0.12 -1.11 0.00 0.00 177.39 176.54 2f3i s PHE 6 N -1.41 -0.02 -0.10 1.96 5.36 -1.26 -5.02 117.98 117.49 2f3i s PHE 6 Ca 0.00 0.06 -0.09 0.00 -0.96 0.00 0.00 56.93 55.93 2f3i s PHE 6 Cb 0.00 -0.02 0.03 0.00 -0.34 0.00 0.00 43.02 42.69 2f3i s PHE 6 CO 0.00 -0.15 0.27 -2.00 -1.46 0.00 0.00 175.22 171.88 2f3i s GLU 7 N -0.61 0.33 -0.06 10.12 2.12 -1.26 -3.16 118.70 126.18 2f3i s GLU 7 Ca -0.07 0.34 -0.11 0.00 0.36 0.00 0.00 54.97 55.49 2f3i s GLU 7 Cb -0.04 0.16 0.02 0.00 0.26 0.00 0.00 34.13 34.53 2f3i s GLU 7 CO 0.00 -0.04 0.27 0.34 -0.54 0.00 0.00 175.26 175.29 2f3i s ASP 8 N 0.06 -0.21 -0.05 -1.70 2.15 -0.29 -5.01 116.67 111.61 2f3i s ASP 8 Ca -0.01 0.31 0.01 0.00 0.43 0.00 0.00 52.55 53.29 2f3i s ASP 8 Cb -0.02 0.44 -0.03 0.00 -0.30 0.00 0.00 42.92 43.01 2f3i s ASP 8 CO 0.01 -0.23 -0.05 -0.63 -0.17 0.00 0.00 175.17 174.09 2f3i s ILE 9 N -0.49 3.82 0.07 4.11 1.09 -1.26 -0.47 121.20 128.07 2f3i s ILE 9 Ca -0.06 -0.51 0.00 0.00 -1.10 0.00 0.00 60.65 58.99 2f3i s ILE 9 Cb -0.04 -2.60 -0.04 0.00 -1.06 0.00 0.00 42.46 38.72 2f3i s ILE 9 CO 0.02 0.55 -0.05 0.72 -0.10 0.00 0.00 174.94 176.07 2f3i s PHE 10 N -0.88 0.66 0.04 3.97 -0.12 -0.52 -0.47 117.98 120.66 2f3i s PHE 10 Ca 0.14 -0.94 0.03 0.00 -0.05 0.00 0.00 56.93 56.10 2f3i s PHE 10 Cb -0.11 -0.43 -0.02 0.00 -0.63 0.00 0.00 43.02 41.83 2f3i s PHE 10 CO 0.03 -0.26 -0.08 0.34 -0.05 0.00 0.00 175.22 175.20 2f3i s ASP 11 N -2.81 0.95 0.42 1.98 2.15 -0.36 -0.73 116.67 118.27 2f3i s ASP 11 Ca 0.07 -0.48 -0.27 0.00 0.43 0.00 0.00 52.55 52.30 2f3i s ASP 11 Cb 0.05 0.00 -0.10 0.00 -0.30 0.00 0.00 42.92 42.57 2f3i s ASP 11 CO -0.07 -0.14 1.46 0.52 -0.17 0.00 0.00 175.17 176.78 2f3i n VAL 12 N 1.69 2.41 0.00 1.11 0.31 -1.26 -1.41 118.33 121.19 2f3i n VAL 12 Ca -0.21 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.62 2f3i n VAL 12 Cb 0.55 -1.92 0.00 0.00 -0.91 0.00 0.00 33.84 31.56 2f3i n VAL 12 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2f3i n LYS 13 N 0.11 3.27 -3.87 5.55 4.76 0.72 -4.82 118.16 123.88 2f3i n LYS 13 Ca 0.03 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.40 2f3i n LYS 13 Cb 0.40 -0.92 -0.02 0.00 -1.84 0.00 0.00 35.03 32.65 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 -2.64 -0.24 0.00 4.39 2.15 -0.55 -4.99 116.67 114.78 2f3i s ASP 14 Ca 0.00 -0.64 0.03 0.00 0.43 0.00 0.00 52.55 52.38 2f3i s ASP 14 Cb 0.00 0.71 -0.01 0.00 -0.30 0.00 0.00 42.92 43.32 2f3i s ASP 14 CO 0.00 -1.32 -0.11 -0.63 -0.17 0.00 0.00 175.17 172.94 2f3i s ILE 15 N -3.93 0.87 -0.40 4.11 1.09 -1.26 -1.16 121.20 120.52 2f3i s ILE 15 Ca 0.12 -0.56 0.06 0.00 -1.10 0.00 0.00 60.65 59.17 2f3i s ILE 15 Cb -0.05 -0.75 0.20 0.00 -1.06 0.00 0.00 42.46 40.80 2f3i s ILE 15 CO 0.07 0.18 0.42 -0.67 -0.10 0.00 0.00 174.94 174.84 2f3i n ASP 16 N 2.63 -0.28 -0.12 3.58 2.03 0.09 -4.97 116.55 119.51 2f3i n ASP 16 Ca -0.15 -2.50 0.01 0.00 0.52 0.00 0.00 54.79 52.67 2f3i n ASP 16 Cb 0.56 -0.55 0.03 0.00 -0.72 0.00 0.00 41.12 40.43 2f3i n ASP 16 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2f3i n PRO 17 N 2.28 1.14 -1.12 -0.67 -0.04 -1.26 -1.50 135.00 133.83 2f3i n PRO 17 Ca 0.26 -0.22 -0.25 0.00 -0.04 0.00 0.00 63.50 63.26 2f3i n PRO 17 Cb 0.50 -1.06 -0.10 0.00 -0.04 0.00 0.00 33.50 32.80 2f3i n PRO 17 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2f3i n GLU 18 N -0.32 2.78 -2.51 0.54 0.28 -1.26 -3.97 120.64 116.18 2f3i n GLU 18 Ca 0.02 -1.56 -0.01 0.00 -0.16 0.00 0.00 57.16 55.45 2f3i n GLU 18 Cb 0.06 -2.38 0.07 0.00 1.43 0.00 0.00 31.44 30.62 2f3i n GLU 18 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2f3i n GLY 19 N 3.05 1.73 2.93 -1.84 0.00 -1.26 -5.00 105.19 104.80 2f3i n GLY 19 Ca 0.59 -0.58 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 2f3i n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2f3i n LYS 20 N -0.88 1.45 -0.29 1.61 4.76 -1.25 -4.50 118.16 119.07 2f3i n LYS 20 Ca -0.07 -1.49 -0.01 0.00 -2.87 0.00 0.00 58.31 53.87 2f3i n LYS 20 Cb 0.85 -2.61 0.17 0.00 -1.84 0.00 0.00 35.03 31.61 2f3i n LYS 20 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2f3i h LYS 21 N 7.46 1.15 -4.07 1.97 1.79 -1.95 -3.44 116.57 119.48 2f3i h LYS 21 Ca 0.39 -0.09 -0.12 0.00 -2.18 0.00 0.00 60.65 58.66 2f3i h LYS 21 Cb 0.40 -0.25 -0.14 0.00 -1.58 0.00 0.00 32.23 30.66 2f3i h LYS 21 CO 1.67 0.78 -0.49 -0.06 -1.08 0.00 0.00 179.45 180.28 2f3i s PHE 22 N -5.92 0.47 0.42 -1.35 0.40 -1.26 -5.04 117.98 105.70 2f3i s PHE 22 Ca -0.12 -0.89 0.08 0.00 -0.60 0.00 0.00 56.93 55.40 2f3i s PHE 22 Cb 0.18 -0.23 0.88 0.00 0.51 0.00 0.00 43.02 44.36 2f3i s PHE 22 CO 0.80 -0.56 2.06 0.22 0.70 0.00 0.00 175.22 178.44 2f3i h ASP 23 N 2.80 0.43 0.54 1.36 3.58 -1.95 -1.63 116.42 121.55 2f3i h ASP 23 Ca -0.34 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.10 2f3i h ASP 23 Cb 1.20 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.14 2f3i h ASP 23 CO 0.57 0.32 0.00 -2.11 -2.88 0.00 0.00 179.24 175.14 2f3i n ARG 24 N -4.47 0.24 -3.71 0.28 1.85 -1.26 -4.76 116.66 104.84 2f3i n ARG 24 Ca 0.02 0.07 -0.37 0.00 -1.00 0.00 0.00 57.85 56.58 2f3i n ARG 24 Cb 0.07 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 29.88 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 -2.69 5.12 0.02 8.89 1.01 -0.61 -0.60 120.40 131.53 2f3i s VAL 25 Ca 0.19 0.10 -0.11 0.00 0.00 0.00 0.00 61.98 62.16 2f3i s VAL 25 Cb 0.16 -3.39 0.01 0.00 0.00 0.00 0.00 36.38 33.16 2f3i s VAL 25 CO 0.38 0.34 0.22 -0.44 0.00 0.00 0.00 175.10 175.60 2f3i s SER 26 N 1.20 -0.03 0.38 3.32 0.01 -0.58 -4.16 113.70 113.83 2f3i s SER 26 Ca 0.07 -0.21 -0.17 0.00 1.31 0.00 0.00 55.95 56.95 2f3i s SER 26 Cb -0.14 0.28 -0.09 0.00 0.21 0.00 0.00 66.02 66.27 2f3i s SER 26 CO 0.05 -0.49 0.83 -0.13 0.41 0.00 0.00 173.24 173.91 2f3i s ARG 27 N -2.00 4.07 0.12 12.44 0.52 -0.56 -1.56 118.95 131.98 2f3i s ARG 27 Ca -0.09 0.84 0.06 0.00 -0.52 0.00 0.00 55.73 56.01 2f3i s ARG 27 Cb -0.04 -2.32 -0.04 0.00 0.52 0.00 0.00 34.95 33.08 2f3i s ARG 27 CO -0.01 0.05 -0.14 -0.51 0.02 0.00 0.00 175.30 174.72 2f3i s LEU 28 N -3.18 2.42 -0.08 2.53 2.01 0.39 -0.73 118.68 122.03 2f3i s LEU 28 Ca 0.57 -0.83 0.02 0.00 0.01 0.00 0.00 54.13 53.90 2f3i s LEU 28 Cb -0.10 -0.52 0.01 0.00 0.01 0.00 0.00 46.19 45.59 2f3i s LEU 28 CO 0.18 -0.16 -0.13 -1.00 1.01 0.00 0.00 176.35 176.24 2f3i s HIS 29 N -2.25 1.61 0.20 0.29 3.76 -0.31 -1.74 115.29 116.84 2f3i s HIS 29 Ca 0.09 -0.64 -0.04 0.00 -0.15 0.00 0.00 55.06 54.33 2f3i s HIS 29 Cb -0.04 -1.18 -0.03 0.00 1.11 0.00 0.00 32.58 32.44 2f3i s HIS 29 CO 0.03 -0.33 0.19 0.00 -0.85 0.00 0.00 174.74 173.78 2f3i s GLU 31 N -4.11 0.57 0.32 0.00 2.12 -0.50 -1.49 118.70 115.61 2f3i s GLU 31 Ca 0.33 -0.13 -0.27 0.00 0.36 0.00 0.00 54.97 55.26 2f3i s GLU 31 Cb 0.05 -0.59 -0.09 0.00 0.26 0.00 0.00 34.13 33.76 2f3i s GLU 31 CO 0.09 0.01 1.07 -1.12 -0.54 0.00 0.00 175.26 174.78 2f3i s SER 32 N 0.40 7.09 -0.14 -1.70 0.01 -0.71 -1.22 113.70 117.43 2f3i s SER 32 Ca -0.05 2.16 0.06 0.00 1.31 0.00 0.00 55.95 59.43 2f3i s SER 32 Cb -0.08 -2.61 -0.23 0.00 0.21 0.00 0.00 66.02 63.30 2f3i s SER 32 CO -0.00 -0.26 0.29 1.21 0.41 0.00 0.00 173.24 174.88 2f3i n GLU 33 N 0.71 0.69 -0.10 12.44 2.13 0.38 -4.53 120.64 132.35 2f3i n GLU 33 Ca 0.01 0.20 -0.13 0.00 0.66 0.00 0.00 57.16 57.90 2f3i n GLU 33 Cb 0.47 -1.66 -0.04 0.00 0.27 0.00 0.00 31.44 30.48 2f3i n GLU 33 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 2f3i h SER 34 N 0.02 0.81 0.00 4.31 0.02 -1.94 -3.46 113.55 113.31 2f3i h SER 34 Ca -0.43 -0.48 0.00 0.00 -0.84 0.00 0.00 61.79 60.04 2f3i h SER 34 Cb 2.05 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 64.36 2f3i h SER 34 CO 0.04 1.12 0.00 0.49 -1.14 0.00 0.00 176.83 177.34 2f3i n PHE 35 N -4.21 0.00 -3.18 3.45 3.72 -1.26 -5.09 117.46 110.88 2f3i n PHE 35 Ca -0.04 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.41 2f3i n PHE 35 Cb 0.49 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.02 2f3i n PHE 35 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 176.76 175.12 2f3i s LYS 36 N 0.52 0.40 -0.21 -1.08 -2.85 -1.26 -5.02 119.74 110.25 2f3i s LYS 36 Ca 0.00 0.74 -0.24 0.00 -1.00 0.00 0.00 55.97 55.47 2f3i s LYS 36 Cb 0.00 0.42 0.06 0.00 -2.06 0.00 0.00 37.83 36.25 2f3i s LYS 36 CO 0.00 -0.41 0.66 -1.64 0.10 0.00 0.00 175.35 174.06 2f3i s MET 37 N 2.88 0.83 -0.14 1.78 -1.94 -1.26 -2.99 119.30 118.44 2f3i s MET 37 Ca 0.10 0.78 -0.01 0.00 -1.71 0.00 0.00 55.69 54.85 2f3i s MET 37 Cb -0.13 0.40 -0.02 0.00 2.01 0.00 0.00 34.83 37.10 2f3i s MET 37 CO -0.17 -0.14 -0.11 0.34 -0.01 0.00 0.00 175.02 174.94 2f3i s ASP 38 N 0.04 4.20 -0.00 3.03 2.15 -0.22 -1.73 116.67 124.12 2f3i s ASP 38 Ca -0.02 -0.29 0.01 0.00 0.43 0.00 0.00 52.55 52.68 2f3i s ASP 38 Cb -0.04 -1.66 -0.00 0.00 -0.30 0.00 0.00 42.92 40.92 2f3i s ASP 38 CO 0.03 0.15 -0.04 -0.22 -0.17 0.00 0.00 175.17 174.92 2f3i s LEU 39 N 0.42 1.97 -0.01 -1.34 2.96 -0.56 -1.58 118.68 120.55 2f3i s LEU 39 Ca -0.08 -0.08 0.08 0.00 -0.22 0.00 0.00 54.13 53.82 2f3i s LEU 39 Cb -0.15 -0.23 -0.02 0.00 0.50 0.00 0.00 46.19 46.29 2f3i s LEU 39 CO 0.04 0.05 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.25 2f3i s ILE 40 N -0.05 1.89 0.10 6.68 -1.09 0.23 -0.48 121.20 128.49 2f3i s ILE 40 Ca 0.01 -1.08 -0.18 0.00 -2.23 0.00 0.00 60.65 57.17 2f3i s ILE 40 Cb -0.02 -1.58 0.04 0.00 -1.58 0.00 0.00 42.46 39.32 2f3i s ILE 40 CO -0.00 0.48 0.44 -1.48 -1.23 0.00 0.00 174.94 173.15 2f3i s LEU 41 N -0.70 0.22 -0.21 2.97 2.34 -0.71 -0.70 118.68 121.90 2f3i s LEU 41 Ca 0.09 -0.15 0.00 0.00 0.06 0.00 0.00 54.13 54.13 2f3i s LEU 41 Cb -0.09 1.95 0.05 0.00 -0.56 0.00 0.00 46.19 47.54 2f3i s LEU 41 CO -0.00 -0.81 -0.05 -0.62 -1.06 0.00 0.00 176.35 173.81 2f3i s ASP 42 N -2.53 3.51 0.18 1.48 2.15 0.01 -0.46 116.67 121.01 2f3i s ASP 42 Ca -0.00 -1.01 -0.07 0.00 0.43 0.00 0.00 52.55 51.90 2f3i s ASP 42 Cb 0.01 -1.07 -0.02 0.00 -0.30 0.00 0.00 42.92 41.53 2f3i s ASP 42 CO -0.09 -0.22 0.25 0.68 -0.17 0.00 0.00 175.17 175.62 2f3i s VAL 43 N 1.49 0.05 0.01 1.11 -7.23 -0.60 -1.73 120.40 113.50 2f3i s VAL 43 Ca -0.04 -1.59 -0.30 0.00 -1.81 0.00 0.00 61.98 58.24 2f3i s VAL 43 Cb -0.18 -2.05 -0.05 0.00 0.56 0.00 0.00 36.38 34.66 2f3i s VAL 43 CO -0.07 -0.22 1.30 0.21 -0.31 0.00 0.00 175.10 176.00 2f3i s ASN 44 N -3.02 6.96 0.00 4.85 2.47 -1.26 -1.53 114.94 123.41 2f3i s ASN 44 Ca 0.23 2.03 0.17 0.00 0.42 0.00 0.00 52.86 55.71 2f3i s ASN 44 Cb 0.04 -2.57 0.10 0.00 -1.45 0.00 0.00 41.25 37.38 2f3i s ASN 44 CO 0.04 -0.61 1.00 2.30 -3.72 0.00 0.00 177.10 176.11 2f3i n ILE 45 N 4.40 0.00 0.32 -5.21 -6.64 0.23 -4.42 119.36 108.03 2f3i n ILE 45 Ca 0.11 -0.46 0.15 0.00 -1.77 0.00 0.00 62.75 60.78 2f3i n ILE 45 Cb 0.45 1.32 0.66 0.00 -1.44 0.00 0.00 39.64 40.63 2f3i n ILE 45 CO 0.00 0.00 0.00 1.56 -1.77 0.00 0.00 176.55 176.34 2f3i h GLN 46 N 3.03 0.00 -0.11 6.28 1.08 -1.93 0.62 115.11 124.08 2f3i h GLN 46 Ca 0.00 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.23 2f3i h GLN 46 Cb 0.68 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.11 2f3i h GLN 46 CO 0.00 0.00 0.10 0.82 -0.95 0.00 0.00 178.83 178.80 2f3i h ILE 47 N 0.00 0.69 -2.65 2.54 2.04 -1.96 -3.45 117.51 114.72 2f3i h ILE 47 Ca 0.00 0.00 -0.56 0.00 1.00 0.00 0.00 64.86 65.30 2f3i h ILE 47 Cb 0.31 0.93 -0.15 0.00 -0.74 0.00 0.00 36.82 37.16 2f3i h ILE 47 CO 0.00 0.00 -0.76 -0.31 0.00 0.00 0.00 178.15 177.08 2f3i s TYR 48 N -4.82 2.07 -1.17 1.37 2.02 0.21 -5.04 117.35 111.99 2f3i s TYR 48 Ca -0.05 -0.42 -0.19 0.00 -0.37 0.00 0.00 57.07 56.04 2f3i s TYR 48 Cb 0.16 -0.94 -0.04 0.00 -0.40 0.00 0.00 41.96 40.74 2f3i s TYR 48 CO 0.61 0.55 1.95 -0.35 -1.57 0.00 0.00 175.55 176.73 2f3i n PRO 49 N -0.33 2.29 0.20 -1.71 -0.04 -1.26 -4.81 135.00 129.33 2f3i n PRO 49 Ca -0.08 -2.55 0.18 0.00 -0.04 0.00 0.00 63.50 61.01 2f3i n PRO 49 Cb 0.59 -3.36 0.80 0.00 -0.04 0.00 0.00 33.50 31.49 2f3i n PRO 49 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 2f3i h VAL 50 N 5.07 0.27 -0.02 0.52 3.04 -1.91 0.11 116.25 123.33 2f3i h VAL 50 Ca 0.41 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 66.11 2f3i h VAL 50 Cb 0.78 0.70 -0.00 0.00 -2.01 0.00 0.00 31.29 30.76 2f3i h VAL 50 CO 1.63 0.00 0.04 -0.78 -1.01 0.00 0.00 177.57 177.45 2f3i h ASP 51 N 0.00 0.00 0.00 3.17 3.58 -1.97 -3.28 116.42 117.91 2f3i h ASP 51 Ca 0.11 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.56 2f3i h ASP 51 Cb 0.81 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.86 2f3i h ASP 51 CO -0.00 0.00 -0.51 -0.11 -2.88 0.00 0.00 179.24 175.74 2f3i n LEU 52 N -3.41 0.03 0.00 2.28 7.94 -0.21 -5.16 117.00 118.46 2f3i n LEU 52 Ca -0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 2f3i n LEU 52 Cb 0.12 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.07 2f3i n LEU 52 CO 0.23 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.12 2f3i n GLY 53 N 1.79 -1.71 3.67 -3.96 0.00 0.21 -5.11 105.19 100.09 2f3i n GLY 53 Ca 0.00 -1.54 -0.09 0.00 0.00 0.00 0.00 46.02 44.39 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 -3.86 -0.35 0.79 1.61 2.15 -1.26 -4.81 116.67 110.94 2f3i s ASP 54 Ca 0.00 -0.41 -0.11 0.00 0.43 0.00 0.00 52.55 52.45 2f3i s ASP 54 Cb 0.00 0.67 0.06 0.00 -0.30 0.00 0.00 42.92 43.35 2f3i s ASP 54 CO 0.00 -1.19 1.09 -0.54 -0.17 0.00 0.00 175.17 174.36 2f3i s LYS 55 N -3.86 2.17 0.25 4.34 1.02 -1.26 -4.39 119.74 118.01 2f3i s LYS 55 Ca 0.08 0.71 0.05 0.00 0.02 0.00 0.00 55.97 56.83 2f3i s LYS 55 Cb -0.04 -1.92 -0.05 0.00 -0.52 0.00 0.00 37.83 35.30 2f3i s LYS 55 CO -0.00 -1.57 -0.04 -0.06 -0.92 0.00 0.00 175.35 172.76 2f3i s PHE 56 N -3.12 1.76 -0.00 3.18 0.40 0.09 -4.22 117.98 116.06 2f3i s PHE 56 Ca 0.60 -0.80 0.05 0.00 -0.60 0.00 0.00 56.93 56.19 2f3i s PHE 56 Cb -0.15 -1.01 -0.02 0.00 0.51 0.00 0.00 43.02 42.36 2f3i s PHE 56 CO 0.54 0.14 -0.17 0.50 0.70 0.00 0.00 175.22 176.93 2f3i s ARG 57 N -3.79 1.32 0.00 0.44 3.52 0.49 -1.43 118.95 119.51 2f3i s ARG 57 Ca 0.28 -0.66 0.07 0.00 -0.13 0.00 0.00 55.73 55.30 2f3i s ARG 57 Cb 0.04 -1.30 -0.02 0.00 -1.56 0.00 0.00 34.95 32.11 2f3i s ARG 57 CO 0.10 0.35 -0.21 -1.17 -0.81 0.00 0.00 175.30 173.56 2f3i s LEU 58 N -0.56 2.08 0.01 -0.88 2.96 0.39 -1.55 118.68 121.12 2f3i s LEU 58 Ca 0.06 -0.43 0.02 0.00 -0.22 0.00 0.00 54.13 53.56 2f3i s LEU 58 Cb -0.07 -1.07 -0.01 0.00 0.50 0.00 0.00 46.19 45.54 2f3i s LEU 58 CO -0.00 0.24 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.50 2f3i s VAL 59 N -0.59 0.56 -0.07 1.68 1.01 0.04 -1.13 120.40 121.90 2f3i s VAL 59 Ca 0.08 -0.46 0.10 0.00 0.00 0.00 0.00 61.98 61.70 2f3i s VAL 59 Cb -0.08 -0.50 0.15 0.00 0.00 0.00 0.00 36.38 35.95 2f3i s VAL 59 CO -0.00 0.05 1.07 2.30 0.00 0.00 0.00 175.10 178.51 2f3i n ILE 60 N 2.61 1.02 -1.14 2.22 -5.35 -1.19 -1.28 119.36 116.25 2f3i n ILE 60 Ca -0.15 -1.22 -0.31 0.00 -0.27 0.00 0.00 62.75 60.80 2f3i n ILE 60 Cb 0.57 0.12 0.11 0.00 -1.74 0.00 0.00 39.64 38.70 2f3i n ILE 60 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2f3i s ALA 61 N -1.54 2.02 0.64 -1.28 0.00 -1.26 -4.62 121.76 115.73 2f3i s ALA 61 Ca 0.17 0.44 0.38 0.00 0.00 0.00 0.00 51.96 52.94 2f3i s ALA 61 Cb 0.15 -3.35 2.12 0.00 0.00 0.00 0.00 23.12 22.04 2f3i s ALA 61 CO 0.02 -2.04 2.26 0.66 0.00 0.00 0.00 175.76 176.66 2f3i h SER 62 N -1.19 0.00 -0.48 0.00 4.64 -1.92 -3.43 113.55 111.17 2f3i h SER 62 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2f3i h SER 62 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2f3i h SER 62 CO 0.48 0.00 0.00 1.07 -0.87 0.00 0.00 176.83 177.51 2f3i n THR 63 N -3.30 0.00 0.13 2.95 5.66 -1.26 -3.06 114.28 115.40 2f3i n THR 63 Ca -0.02 0.00 0.19 0.00 -3.05 0.00 0.00 64.05 61.17 2f3i n THR 63 Cb 0.15 0.00 0.77 0.00 -1.55 0.00 0.00 70.33 69.70 2f3i n THR 63 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 2f3i h LEU 64 N 0.00 0.00 -2.03 1.09 4.07 -1.89 -2.09 115.31 114.45 2f3i h LEU 64 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 2f3i h LEU 64 Cb 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.74 2f3i h LEU 64 CO 0.00 0.00 -0.06 1.88 -1.08 0.00 0.00 178.44 179.18 2f3i h TYR 65 N 0.00 0.00 0.00 1.13 0.05 -1.97 0.12 116.97 116.30 2f3i h TYR 65 Ca 0.15 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.93 2f3i h TYR 65 Cb 0.81 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.55 2f3i h TYR 65 CO 0.00 0.06 0.00 1.05 -1.05 0.00 0.00 178.16 178.22 2f3i h GLU 66 N 0.00 0.00 0.00 4.88 4.11 -1.30 -3.32 114.58 118.95 2f3i h GLU 66 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2f3i h GLU 66 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2f3i h GLU 66 CO 0.01 0.00 -0.63 -3.47 0.07 0.00 0.00 179.01 174.98 2f3i n ASP 67 N -2.49 3.17 -1.90 3.06 2.03 -0.75 -5.03 116.55 114.64 2f3i n ASP 67 Ca 0.03 -0.10 -0.13 0.00 0.52 0.00 0.00 54.79 55.11 2f3i n ASP 67 Cb 0.33 0.84 0.02 0.00 -0.72 0.00 0.00 41.12 41.59 2f3i n ASP 67 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2f3i n GLY 68 N 1.79 -0.04 0.33 0.27 0.00 0.34 -4.89 105.19 102.98 2f3i n GLY 68 Ca 0.00 -0.24 0.19 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.83 0.24 0.00 2.61 2.02 -1.84 -0.77 112.91 114.34 2f3i h THR 69 Ca -0.32 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.86 2f3i h THR 69 Cb 1.22 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 2f3i h THR 69 CO 0.34 0.00 -0.43 0.00 0.37 0.00 0.00 175.52 175.80 2f3i n LEU 70 N -3.40 0.00 0.27 2.58 -0.00 -1.26 -4.30 117.00 110.89 2f3i n LEU 70 Ca -0.01 0.00 0.15 0.00 -0.00 0.00 0.00 56.01 56.14 2f3i n LEU 70 Cb 0.21 0.00 0.76 0.00 -0.00 0.00 0.00 43.42 44.39 2f3i n LEU 70 CO 0.22 0.00 0.99 -0.78 -0.00 0.00 0.00 177.39 177.82 2f3i h ASP 71 N 0.00 0.00 -0.26 1.45 3.58 -1.90 -2.35 116.42 116.94 2f3i h ASP 71 Ca 0.00 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.22 2f3i h ASP 71 Cb 0.43 0.00 -0.37 0.00 1.72 0.00 0.00 39.33 41.11 2f3i h ASP 71 CO 0.00 0.09 -1.01 -0.67 -2.88 0.00 0.00 179.24 174.77 2f3i n ASP 72 N -3.41 1.66 -2.11 2.28 2.03 -0.31 -4.87 116.55 111.81 2f3i n ASP 72 Ca -0.01 -2.31 0.02 0.00 0.52 0.00 0.00 54.79 53.01 2f3i n ASP 72 Cb 0.25 -0.40 0.03 0.00 -0.72 0.00 0.00 41.12 40.28 2f3i n ASP 72 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2f3i n GLY 73 N -0.22 1.36 3.72 0.27 0.00 -0.90 -4.85 105.19 104.57 2f3i n GLY 73 Ca 0.11 -0.91 -0.26 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.05 -2.72 -1.68 1.61 2.13 -1.24 -4.59 120.64 114.10 2f3i n GLU 74 Ca 0.05 0.51 -0.40 0.00 0.66 0.00 0.00 57.16 57.99 2f3i n GLU 74 Cb 0.98 -4.60 0.03 0.00 0.27 0.00 0.00 31.44 28.12 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 -4.20 1.80 -3.80 4.31 9.36 -1.15 -5.02 117.16 118.46 2f3i n TYR 75 Ca -0.20 0.48 -0.20 0.00 3.32 0.00 0.00 57.90 61.30 2f3i n TYR 75 Cb 0.64 -2.31 -0.17 0.00 -0.63 0.00 0.00 39.34 36.87 2f3i n TYR 75 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 2f3i s ASN 76 N -0.80 1.05 0.54 2.98 3.84 -1.26 -5.12 114.94 116.17 2f3i s ASN 76 Ca 0.67 -0.02 -0.20 0.00 0.21 0.00 0.00 52.86 53.53 2f3i s ASN 76 Cb -0.47 -0.27 -0.08 0.00 -0.55 0.00 0.00 41.25 39.88 2f3i s ASN 76 CO 0.53 -0.18 0.80 -2.65 -2.79 0.00 0.00 177.10 172.82 2f3i n PRO 77 N 4.84 0.84 -0.83 0.43 -0.02 -1.26 -2.37 135.00 136.63 2f3i n PRO 77 Ca -0.13 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 2f3i n PRO 77 Cb 0.50 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 2f3i n PRO 77 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2f3i n THR 78 N -1.40 0.00 0.07 3.45 -1.04 -1.26 -4.84 114.28 109.26 2f3i n THR 78 Ca 0.12 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.12 2f3i n THR 78 Cb 0.45 -0.48 0.28 0.00 -1.82 0.00 0.00 70.33 68.76 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 0.33 -0.31 8.00 3.58 -1.92 -2.74 116.42 123.36 2f3i h ASP 79 Ca 0.00 -0.10 -0.04 0.00 0.42 0.00 0.00 57.03 57.31 2f3i h ASP 79 Cb 0.31 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.25 2f3i h ASP 79 CO 0.00 0.57 0.05 -0.67 -2.88 0.00 0.00 179.24 176.31 2f3i n ASP 80 N -4.16 3.29 -4.57 2.28 2.03 -1.26 -4.99 116.55 109.17 2f3i n ASP 80 Ca -0.01 -2.50 -0.54 0.00 0.52 0.00 0.00 54.79 52.26 2f3i n ASP 80 Cb 0.36 -0.60 -0.07 0.00 -0.72 0.00 0.00 41.12 40.09 2f3i n ASP 80 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2f3i n ARG 81 N 0.20 0.80 -2.66 -0.67 1.85 -1.04 -1.77 116.66 113.38 2f3i n ARG 81 Ca 0.16 0.29 -0.04 0.00 -1.00 0.00 0.00 57.85 57.26 2f3i n ARG 81 Cb 0.76 -1.89 -0.01 0.00 -1.05 0.00 0.00 32.46 30.27 2f3i n ARG 81 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 2f3i n PRO 82 N 2.34 -0.99 0.00 2.89 -0.02 -1.26 -4.77 135.00 133.18 2f3i n PRO 82 Ca 0.19 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 2f3i n PRO 82 Cb 0.15 -0.49 0.00 0.00 -0.02 0.00 0.00 33.50 33.15 2f3i n PRO 82 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2f3i n SER 83 N -0.07 0.53 -4.44 2.55 7.64 -0.73 -5.05 113.62 114.05 2f3i n SER 83 Ca -0.04 -0.80 -0.40 0.00 1.01 0.00 0.00 58.87 58.65 2f3i n SER 83 Cb 0.09 0.26 -0.07 0.00 -1.01 0.00 0.00 64.21 63.48 2f3i n SER 83 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2f3i n ARG 84 N -0.26 -1.31 -2.83 1.43 0.63 -1.26 -0.93 116.66 112.14 2f3i n ARG 84 Ca 0.00 0.19 -0.13 0.00 -0.92 0.00 0.00 57.85 56.98 2f3i n ARG 84 Cb 0.03 -4.65 -0.01 0.00 0.45 0.00 0.00 32.46 28.29 2f3i n ARG 84 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2f3i n ALA 85 N -4.20 -0.95 -0.35 5.13 0.00 -1.26 -4.79 120.51 114.09 2f3i n ALA 85 Ca 0.04 0.05 0.35 0.00 0.00 0.00 0.00 53.44 53.88 2f3i n ALA 85 Cb 0.50 -1.61 0.73 0.00 0.00 0.00 0.00 19.45 19.06 2f3i n ALA 85 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2f3i h ASP 86 N -0.31 0.06 -0.21 0.00 3.58 -1.42 0.15 116.42 118.26 2f3i h ASP 86 Ca -0.26 0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.23 2f3i h ASP 86 Cb 1.18 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.18 2f3i h ASP 86 CO 0.33 0.00 -0.48 1.56 -2.88 0.00 0.00 179.24 177.77 2f3i h GLN 87 N 0.05 -0.43 -1.88 0.28 7.50 -1.88 -3.39 115.11 115.36 2f3i h GLN 87 Ca 0.59 0.03 -0.37 0.00 0.50 0.00 0.00 58.65 59.41 2f3i h GLN 87 Cb 2.27 0.10 -0.30 0.00 0.05 0.00 0.00 27.48 29.60 2f3i h GLN 87 CO -0.05 -0.28 -0.70 -0.06 -1.50 0.00 0.00 178.83 176.24 2f3i s PHE 88 N -5.31 -0.30 0.47 2.96 0.08 -0.07 -5.06 117.98 110.75 2f3i s PHE 88 Ca -0.13 -0.95 0.13 0.00 0.12 0.00 0.00 56.93 56.10 2f3i s PHE 88 Cb 0.07 -0.38 1.07 0.00 -0.57 0.00 0.00 43.02 43.21 2f3i s PHE 88 CO 0.53 -0.99 2.07 0.93 -0.10 0.00 0.00 175.22 177.66 2f3i h GLU 89 N 6.71 0.16 -3.43 0.44 5.08 -1.32 -3.42 114.58 118.80 2f3i h GLU 89 Ca 0.08 -0.02 -0.18 0.00 -1.00 0.00 0.00 59.36 58.24 2f3i h GLU 89 Cb 1.05 -0.03 -0.25 0.00 0.50 0.00 0.00 28.75 30.01 2f3i h GLU 89 CO 0.20 0.16 -0.54 -0.47 -1.00 0.00 0.00 179.01 177.35 2f3i s TYR 90 N -5.07 -0.11 -0.04 4.33 5.04 -0.06 -4.92 117.35 116.53 2f3i s TYR 90 Ca -0.06 0.26 -0.04 0.00 -2.44 0.00 0.00 57.07 54.79 2f3i s TYR 90 Cb 0.17 0.03 0.01 0.00 0.35 0.00 0.00 41.96 42.52 2f3i s TYR 90 CO 0.70 -0.12 0.11 0.14 -1.34 0.00 0.00 175.55 175.04 2f3i s VAL 91 N -0.25 -0.00 0.21 3.14 -7.23 -1.26 -1.11 120.40 113.89 2f3i s VAL 91 Ca -0.03 0.02 -0.22 0.00 -1.81 0.00 0.00 61.98 59.93 2f3i s VAL 91 Cb -0.03 -0.17 0.05 0.00 0.56 0.00 0.00 36.38 36.79 2f3i s VAL 91 CO 0.00 0.01 0.71 -0.32 -0.31 0.00 0.00 175.10 175.19 2f3i s MET 92 N 0.15 1.51 0.05 4.82 0.00 -0.08 -5.00 119.30 120.74 2f3i s MET 92 Ca -0.01 -0.74 0.07 0.00 0.00 0.00 0.00 55.69 55.01 2f3i s MET 92 Cb -0.02 0.57 -0.03 0.00 0.00 0.00 0.00 34.83 35.36 2f3i s MET 92 CO -0.00 -0.68 -0.21 -0.47 0.00 0.00 0.00 175.02 173.66 2f3i s TYR 93 N -3.76 1.82 0.01 4.11 5.04 -1.26 -1.60 117.35 121.71 2f3i s TYR 93 Ca 0.07 -0.38 -0.00 0.00 -2.44 0.00 0.00 57.07 54.32 2f3i s TYR 93 Cb -0.04 -1.08 0.00 0.00 0.35 0.00 0.00 41.96 41.19 2f3i s TYR 93 CO -0.01 0.10 0.01 0.41 -1.34 0.00 0.00 175.55 174.72 2f3i n GLY 94 N 1.78 2.67 3.32 8.97 0.00 0.60 -4.01 105.19 118.52 2f3i n GLY 94 Ca -0.17 -1.24 -0.32 0.00 0.00 0.00 0.00 46.02 44.29 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 -2.01 2.73 -0.10 1.61 2.20 0.01 -4.47 119.74 119.72 2f3i s LYS 95 Ca 0.00 -0.83 0.00 0.00 -0.36 0.00 0.00 55.97 54.79 2f3i s LYS 95 Cb -0.00 -2.30 -0.02 0.00 -1.51 0.00 0.00 37.83 34.00 2f3i s LYS 95 CO 0.00 0.38 -0.10 0.08 -0.36 0.00 0.00 175.35 175.35 2f3i s VAL 96 N -0.14 3.38 -0.04 4.02 1.01 -1.26 -1.48 120.40 125.89 2f3i s VAL 96 Ca -0.03 -0.57 -0.17 0.00 0.00 0.00 0.00 61.98 61.21 2f3i s VAL 96 Cb -0.14 -2.40 0.03 0.00 0.00 0.00 0.00 36.38 33.87 2f3i s VAL 96 CO 0.04 0.55 0.37 -0.72 0.00 0.00 0.00 175.10 175.35 2f3i s TYR 97 N -0.19 -0.29 -0.04 5.22 1.13 -0.42 -4.38 117.35 118.38 2f3i s TYR 97 Ca 0.01 0.52 -0.30 0.00 -1.41 0.00 0.00 57.07 55.90 2f3i s TYR 97 Cb -0.13 0.15 0.11 0.00 -1.10 0.00 0.00 41.96 40.99 2f3i s TYR 97 CO 0.03 -0.39 1.32 1.03 -2.51 0.00 0.00 175.55 175.03 2f3i s ARG 98 N -1.04 0.29 0.68 -3.49 1.81 -1.26 -0.70 118.95 115.24 2f3i s ARG 98 Ca -0.11 -0.18 -0.11 0.00 -1.72 0.00 0.00 55.73 53.61 2f3i s ARG 98 Cb -0.04 0.09 0.17 0.00 -0.45 0.00 0.00 34.95 34.72 2f3i s ARG 98 CO 0.04 -0.14 0.61 0.44 -0.68 0.00 0.00 175.30 175.58 2f3i n ILE 99 N -0.73 0.00 0.26 1.52 -5.35 -1.26 -4.92 119.36 108.87 2f3i n ILE 99 Ca -0.02 -0.27 0.03 0.00 -0.27 0.00 0.00 62.75 62.22 2f3i n ILE 99 Cb 0.61 -1.14 0.14 0.00 -1.74 0.00 0.00 39.64 37.51 2f3i n ILE 99 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95 2f3i n GLU 100 N -3.34 0.07 0.00 6.28 0.28 -1.26 -4.81 120.64 117.86 2f3i n GLU 100 Ca 0.08 0.26 0.00 0.00 -0.16 0.00 0.00 57.16 57.34 2f3i n GLU 100 Cb 0.33 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.70 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 -0.82 2.35 3.19 -1.84 0.00 -1.26 -4.95 105.19 101.87 2f3i n GLY 101 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 4.45 -3.76 1.61 2.03 -1.26 -4.46 116.55 115.17 2f3i n ASP 102 Ca 0.00 -2.88 -0.31 0.00 0.52 0.00 0.00 54.79 52.12 2f3i n ASP 102 Cb 0.00 -1.71 -0.08 0.00 -0.72 0.00 0.00 41.12 38.61 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 7.35 2.53 0.00 -0.67 2.13 -1.26 -4.87 120.64 125.85 2f3i n GLU 103 Ca 0.50 -4.57 0.00 0.00 0.66 0.00 0.00 57.16 53.75 2f3i n GLU 103 Cb 0.43 -2.32 0.00 0.00 0.27 0.00 0.00 31.44 29.82 2f3i n GLU 103 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 2f3i n THR 104 N 1.51 0.00 -0.40 6.31 5.66 -1.26 -4.87 114.28 121.22 2f3i n THR 104 Ca 0.25 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.25 2f3i n THR 104 Cb 0.38 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.16 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 0.00 -0.53 1.09 7.64 -1.26 -4.72 113.62 115.84 2f3i n SER 105 Ca 0.00 -0.30 0.14 0.00 1.01 0.00 0.00 58.87 59.72 2f3i n SER 105 Cb 0.00 0.00 0.44 0.00 -1.01 0.00 0.00 64.21 63.64 2f3i n SER 105 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2f3i n THR 106 N 0.00 0.00 -2.57 0.44 -2.24 -1.26 -4.93 114.28 103.72 2f3i n THR 106 Ca 0.00 -0.28 -0.15 0.00 -2.27 0.00 0.00 64.05 61.35 2f3i n THR 106 Cb 0.07 0.65 -0.00 0.00 -2.10 0.00 0.00 70.33 68.95 2f3i n THR 106 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2f3i n GLU 107 N 0.27 -2.45 -2.88 -0.78 1.02 -1.26 -4.89 120.64 109.67 2f3i n GLU 107 Ca 0.17 0.65 -0.12 0.00 -0.02 0.00 0.00 57.16 57.85 2f3i n GLU 107 Cb 0.39 -5.29 0.04 0.00 -0.02 0.00 0.00 31.44 26.57 2f3i n GLU 107 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2f3i n ALA 108 N -2.42 1.09 -0.94 0.62 0.00 -1.26 -5.08 120.51 112.53 2f3i n ALA 108 Ca -0.14 -2.36 -0.30 0.00 0.00 0.00 0.00 53.44 50.64 2f3i n ALA 108 Cb 0.61 -1.02 0.17 0.00 0.00 0.00 0.00 19.45 19.21 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 -1.18 1.06 0.00 0.00 0.00 -1.26 -4.99 121.76 115.39 2f3i s ALA 109 Ca 0.29 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.33 2f3i s ALA 109 Cb 0.35 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 20.21 2f3i s ALA 109 CO -0.05 -2.78 0.35 0.25 0.00 0.00 0.00 175.76 173.52 2f3i n THR 110 N -4.20 0.06 -4.24 0.00 -2.24 -1.26 -4.94 114.28 97.47 2f3i n THR 110 Ca 0.07 -0.33 -0.22 0.00 -2.27 0.00 0.00 64.05 61.31 2f3i n THR 110 Cb 0.54 1.33 -0.16 0.00 -2.10 0.00 0.00 70.33 69.94 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 -0.06 1.08 0.26 -0.78 3.00 -1.26 -4.63 118.95 116.56 2f3i s ARG 111 Ca 0.00 -0.18 -0.30 0.00 0.00 0.00 0.00 55.73 55.25 2f3i s ARG 111 Cb 0.00 -1.03 -0.09 0.00 0.00 0.00 0.00 34.95 33.83 2f3i s ARG 111 CO 0.00 -0.07 1.12 -1.17 0.00 0.00 0.00 175.30 175.18 2f3i s LEU 112 N 0.95 4.53 0.32 2.53 2.96 0.32 -4.67 118.68 125.62 2f3i s LEU 112 Ca -0.10 2.27 -0.06 0.00 -0.22 0.00 0.00 54.13 56.01 2f3i s LEU 112 Cb -0.14 -3.62 -0.05 0.00 0.50 0.00 0.00 46.19 42.87 2f3i s LEU 112 CO 0.00 -0.19 0.61 -0.94 -1.32 0.00 0.00 176.35 174.51 2f3i s SER 113 N -0.67 6.46 -0.11 3.68 1.04 -1.26 -1.45 113.70 121.39 2f3i s SER 113 Ca 0.46 0.81 -0.09 0.00 0.48 0.00 0.00 55.95 57.61 2f3i s SER 113 Cb -0.32 -2.19 0.03 0.00 0.10 0.00 0.00 66.02 63.65 2f3i s SER 113 CO 0.40 -0.26 0.28 0.00 0.98 0.00 0.00 173.24 174.65 2f3i s ALA 114 N -2.17 -0.69 0.06 5.32 0.00 -0.33 -4.78 121.76 119.16 2f3i s ALA 114 Ca 0.46 0.86 0.07 0.00 0.00 0.00 0.00 51.96 53.35 2f3i s ALA 114 Cb -0.11 -0.51 -0.03 0.00 0.00 0.00 0.00 23.12 22.47 2f3i s ALA 114 CO 0.31 -0.15 -0.15 0.71 0.00 0.00 0.00 175.76 176.47 2f3i s TYR 115 N 0.40 2.63 0.01 0.00 1.51 0.12 -0.73 117.35 121.29 2f3i s TYR 115 Ca -0.02 -0.21 0.02 0.00 -1.01 0.00 0.00 57.07 55.85 2f3i s TYR 115 Cb -0.04 -1.46 -0.01 0.00 -0.11 0.00 0.00 41.96 40.34 2f3i s TYR 115 CO -0.02 0.32 -0.07 0.08 -1.11 0.00 0.00 175.55 174.75 2f3i s VAL 116 N -1.01 0.53 -0.06 0.71 1.01 -0.25 -1.30 120.40 120.02 2f3i s VAL 116 Ca 0.17 -0.56 -0.00 0.00 0.00 0.00 0.00 61.98 61.58 2f3i s VAL 116 Cb -0.11 -0.50 0.03 0.00 0.00 0.00 0.00 36.38 35.80 2f3i s VAL 116 CO 0.08 -0.04 -0.02 -0.55 0.00 0.00 0.00 175.10 174.56 2f3i s SER 117 N -0.66 1.34 -0.23 3.32 0.15 -0.55 -1.10 113.70 115.97 2f3i s SER 117 Ca -0.02 -0.11 -0.03 0.00 0.70 0.00 0.00 55.95 56.49 2f3i s SER 117 Cb -0.05 -0.46 0.11 0.00 -1.71 0.00 0.00 66.02 63.91 2f3i s SER 117 CO 0.00 -0.13 0.27 -0.72 1.20 0.00 0.00 173.24 173.86 2f3i s TYR 118 N 1.53 -0.44 -1.76 3.44 1.13 -0.29 -0.81 117.35 120.16 2f3i s TYR 118 Ca -0.02 0.28 0.00 0.00 -1.41 0.00 0.00 57.07 55.92 2f3i s TYR 118 Cb -0.13 -0.30 0.00 0.00 -1.10 0.00 0.00 41.96 40.43 2f3i s TYR 118 CO -0.03 -0.70 0.00 0.41 -2.51 0.00 0.00 175.55 172.72 2f3i n GLY 119 N 5.33 0.80 0.95 5.49 0.00 -1.26 -1.07 105.19 115.43 2f3i n GLY 119 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.59 1.23 3.88 -0.02 0.00 -1.26 -5.07 105.19 103.37 2f3i n GLY 120 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 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 3.31 0.05 0.99 1.02 -0.23 -5.03 118.68 118.79 2f3i s LEU 121 Ca 0.00 1.22 -0.01 0.00 0.02 0.00 0.00 54.13 55.36 2f3i s LEU 121 Cb 0.00 -4.21 -0.04 0.00 0.02 0.00 0.00 46.19 41.96 2f3i s LEU 121 CO 0.00 -0.84 -0.03 -0.22 0.02 0.00 0.00 176.35 175.27 2f3i s LEU 122 N -5.07 2.49 0.06 1.79 2.96 -0.70 -1.13 118.68 119.07 2f3i s LEU 122 Ca 0.53 -0.99 -0.12 0.00 -0.22 0.00 0.00 54.13 53.33 2f3i s LEU 122 Cb -0.11 0.16 0.01 0.00 0.50 0.00 0.00 46.19 46.76 2f3i s LEU 122 CO 0.51 -0.58 0.27 -0.04 -1.32 0.00 0.00 176.35 175.20 2f3i s MET 123 N -3.84 0.82 -0.07 1.98 -1.94 -0.26 -0.81 119.30 115.19 2f3i s MET 123 Ca 0.07 -0.63 -0.03 0.00 -1.71 0.00 0.00 55.69 53.39 2f3i s MET 123 Cb 0.07 0.35 0.04 0.00 2.01 0.00 0.00 34.83 37.30 2f3i s MET 123 CO -0.09 -0.27 0.15 1.03 -0.01 0.00 0.00 175.02 175.83 2f3i s ARG 124 N -2.93 0.07 0.22 2.03 0.52 0.13 -1.09 118.95 117.89 2f3i s ARG 124 Ca -0.02 0.44 -0.17 0.00 -0.52 0.00 0.00 55.73 55.46 2f3i s ARG 124 Cb 0.01 -0.21 0.02 0.00 0.52 0.00 0.00 34.95 35.28 2f3i s ARG 124 CO -0.06 -0.22 0.55 -0.48 0.02 0.00 0.00 175.30 175.11 2f3i s LEU 125 N 1.59 0.05 0.00 2.53 2.34 0.09 -0.60 118.68 124.68 2f3i s LEU 125 Ca -0.05 -0.57 0.02 0.00 0.06 0.00 0.00 54.13 53.60 2f3i s LEU 125 Cb -0.12 2.19 -0.01 0.00 -0.56 0.00 0.00 46.19 47.69 2f3i s LEU 125 CO -0.06 -1.12 -0.07 -1.10 -1.06 0.00 0.00 176.35 172.94 2f3i s GLN 126 N -3.90 0.55 0.25 1.48 -0.21 -0.61 -1.19 119.66 116.03 2f3i s GLN 126 Ca 0.12 -0.32 -0.18 0.00 0.02 0.00 0.00 55.36 55.00 2f3i s GLN 126 Cb -0.02 -0.51 0.01 0.00 1.00 0.00 0.00 33.01 33.49 2f3i s GLN 126 CO 0.01 0.14 0.60 0.20 -2.12 0.00 0.00 175.29 174.12 2f3i s GLY 127 N -0.35 0.11 0.17 3.09 0.00 -0.53 -1.06 107.32 108.74 2f3i s GLY 127 Ca 0.01 -0.47 -0.34 0.00 0.00 0.00 0.00 44.72 43.93 2f3i s GLY 127 CO -0.00 -0.29 1.40 1.34 0.00 0.00 0.00 173.10 175.55 2f3i n ASP 128 N -0.41 2.35 -0.31 1.64 2.03 -1.16 -0.52 116.55 120.17 2f3i n ASP 128 Ca -0.05 1.12 0.15 0.00 0.52 0.00 0.00 54.79 56.53 2f3i n ASP 128 Cb 0.61 -1.34 0.33 0.00 -0.72 0.00 0.00 41.12 40.00 2f3i n ASP 128 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2f3i h ALA 129 N 4.66 1.43 0.00 -1.67 0.00 -1.87 0.23 119.26 122.03 2f3i h ALA 129 Ca -0.45 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2f3i h ALA 129 Cb 1.29 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.34 2f3i h ALA 129 CO 0.79 -0.46 -0.11 -0.97 0.00 0.00 0.00 179.25 178.50 2f3i h ASN 130 N 0.27 0.00 1.53 0.00 -1.24 -1.99 -0.72 115.58 113.44 2f3i h ASN 130 Ca 0.59 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.60 2f3i h ASN 130 Cb 1.21 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.26 2f3i h ASN 130 CO -0.62 0.11 0.00 0.78 -1.29 0.00 0.00 177.43 176.41 2f3i h ASN 131 N 0.00 0.00 -0.08 1.15 2.35 -0.92 -1.75 115.58 116.33 2f3i h ASN 131 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2f3i h ASN 131 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 2f3i h ASN 131 CO 0.01 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.97 2f3i n LEU 132 N -3.03 0.98 -2.34 1.61 7.99 -0.28 -4.95 117.00 116.97 2f3i n LEU 132 Ca 0.03 -0.40 -0.00 0.00 -0.01 0.00 0.00 56.01 55.63 2f3i n LEU 132 Cb 0.42 -0.05 -0.00 0.00 -0.11 0.00 0.00 43.42 43.68 2f3i n LEU 132 CO 0.31 0.20 -0.00 1.57 -1.51 0.00 0.00 177.39 177.95 2f3i n HIS 133 N -0.15 -1.83 0.00 -1.77 -0.00 -0.66 -3.20 115.22 107.61 2f3i n HIS 133 Ca 0.16 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.34 2f3i n HIS 133 Cb 0.23 -0.92 0.00 0.00 -0.12 0.00 0.00 29.99 29.18 2f3i n HIS 133 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2f3i n GLY 134 N -0.46 0.00 4.27 1.57 0.00 -1.26 -4.92 105.19 104.39 2f3i n GLY 134 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2f3i n GLY 134 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2f3i n PHE 135 N 0.00 -1.66 -0.89 1.61 3.01 -1.25 -4.76 117.46 113.51 2f3i n PHE 135 Ca 0.00 0.79 0.00 0.00 1.01 0.00 0.00 57.45 59.25 2f3i n PHE 135 Cb 0.00 -2.79 0.00 0.00 -0.01 0.00 0.00 39.48 36.68 2f3i n PHE 135 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 2f3i n GLU 136 N -4.34 0.00 0.00 -1.08 -0.00 -1.19 -4.85 120.64 109.18 2f3i n GLU 136 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.25 2f3i n GLU 136 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.92 2f3i n GLU 136 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 2f3i n VAL 137 N 0.00 0.00 -1.95 3.84 0.31 -1.26 -3.86 118.33 115.42 2f3i n VAL 137 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2f3i n VAL 137 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2f3i n VAL 137 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2f3i n ASP 138 N 0.57 0.00 0.00 4.52 2.03 -1.26 -4.39 116.55 118.02 2f3i n ASP 138 Ca 0.00 -1.23 0.00 0.00 0.52 0.00 0.00 54.79 54.08 2f3i n ASP 138 Cb 0.00 -0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.35 2f3i n ASP 138 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2f3i n SER 139 N 0.00 0.00 -0.23 1.67 7.64 -1.25 -4.57 113.62 116.88 2f3i n SER 139 Ca 0.00 0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.98 2f3i n SER 139 Cb 0.55 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 2f3i n SER 139 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2f3i n ARG 140 N -1.25 0.97 -0.21 1.43 1.85 -1.26 -2.45 116.66 115.74 2f3i n ARG 140 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 57.85 56.80 2f3i n ARG 140 Cb 0.00 -1.22 0.12 0.00 -1.05 0.00 0.00 32.46 30.31 2f3i n ARG 140 CO 0.00 0.00 0.00 -0.39 -0.01 0.00 0.00 177.63 177.23 2f3i h VAL 141 N 0.00 1.25 -3.38 8.89 -1.51 -1.81 -3.38 116.25 116.31 2f3i h VAL 141 Ca 0.00 -0.85 -0.55 0.00 -1.23 0.00 0.00 66.70 64.07 2f3i h VAL 141 Cb 0.22 0.51 -0.04 0.00 -2.13 0.00 0.00 31.29 29.85 2f3i h VAL 141 CO 0.00 0.33 0.28 -0.31 -1.23 0.00 0.00 177.57 176.65 2f3i s TYR 142 N -5.35 3.60 -0.05 5.19 2.02 -1.02 -0.29 117.35 121.44 2f3i s TYR 142 Ca -0.11 1.50 -0.02 0.00 -0.37 0.00 0.00 57.07 58.07 2f3i s TYR 142 Cb 0.15 -3.00 0.04 0.00 -0.40 0.00 0.00 41.96 38.75 2f3i s TYR 142 CO 0.82 -0.01 0.11 -1.17 -1.57 0.00 0.00 175.55 173.73 2f3i s LEU 143 N 1.08 0.62 -0.03 -1.29 0.20 -0.63 -4.46 118.68 114.17 2f3i s LEU 143 Ca 0.46 0.21 0.02 0.00 0.69 0.00 0.00 54.13 55.50 2f3i s LEU 143 Cb -0.19 0.17 0.01 0.00 -0.43 0.00 0.00 46.19 45.75 2f3i s LEU 143 CO 0.23 -0.17 -0.08 -0.22 -0.29 0.00 0.00 176.35 175.82 2f3i s LEU 144 N 1.44 1.67 -0.00 -0.68 0.20 -0.40 -0.90 118.68 120.01 2f3i s LEU 144 Ca -0.06 -0.17 0.01 0.00 0.69 0.00 0.00 54.13 54.60 2f3i s LEU 144 Cb -0.12 -0.51 -0.00 0.00 -0.43 0.00 0.00 46.19 45.12 2f3i s LEU 144 CO -0.05 0.03 -0.03 -0.32 -0.29 0.00 0.00 176.35 175.69 2f3i s MET 145 N 0.40 0.24 0.25 1.98 1.75 -0.27 -0.78 119.30 122.86 2f3i s MET 145 Ca -0.06 -0.11 -0.09 0.00 -1.25 0.00 0.00 55.69 54.19 2f3i s MET 145 Cb -0.10 -0.23 0.03 0.00 2.84 0.00 0.00 34.83 37.38 2f3i s MET 145 CO 0.01 0.06 0.49 0.36 -0.65 0.00 0.00 175.02 175.28 2f3i n LYS 146 N 3.00 0.70 -0.89 4.11 2.85 -0.60 -0.88 118.16 126.45 2f3i n LYS 146 Ca -0.13 -1.45 -0.33 0.00 -1.05 0.00 0.00 58.31 55.35 2f3i n LYS 146 Cb 0.59 1.76 0.11 0.00 -0.65 0.00 0.00 35.03 36.85 2f3i n LYS 146 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 2f3i n LYS 147 N -0.34 -0.16 -0.77 -1.58 2.85 -1.26 -0.38 118.16 116.51 2f3i n LYS 147 Ca -0.05 -0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.86 2f3i n LYS 147 Cb 0.38 -1.91 0.13 0.00 -0.65 0.00 0.00 35.03 32.98 2f3i n LYS 147 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 177.40 178.82 2f3i n LEU 148 N -1.36 -2.55 0.00 -5.58 -0.00 -1.26 -4.01 117.00 102.24 2f3i n LEU 148 Ca 0.08 -0.08 0.00 0.00 -0.00 0.00 0.00 56.01 56.00 2f3i n LEU 148 Cb 0.53 -0.82 0.00 0.00 -0.00 0.00 0.00 43.42 43.13 2f3i n LEU 148 CO 0.50 -2.93 0.19 0.00 -0.00 0.00 0.00 177.39 175.15 2f3i n ALA 149 N -4.13 1.77 -0.89 1.47 0.00 -1.26 -4.92 120.51 112.55 2f3i n ALA 149 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2f3i n ALA 149 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 2f3i n ALA 149 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47