#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d5i s LYS 2 N 0.00 2.60 -0.17 1.43 1.02 -1.26 -2.96 119.74 120.40 2d5i s LYS 2 Ca 0.00 -0.87 -0.01 0.00 0.02 0.00 0.00 55.97 55.11 2d5i s LYS 2 Cb 0.00 -2.14 -0.01 0.00 -0.52 0.00 0.00 37.83 35.16 2d5i s LYS 2 CO 0.00 0.32 -0.11 0.08 -0.92 0.00 0.00 175.35 174.72 2d5i s VAL 3 N -0.02 3.02 -0.21 3.17 1.01 -0.41 -0.82 120.40 126.14 2d5i s VAL 3 Ca -0.07 -0.64 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 2d5i s VAL 3 Cb -0.15 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 2d5i s VAL 3 CO 0.05 0.49 0.10 -0.22 0.00 0.00 0.00 175.10 175.52 2d5i s LEU 4 N 0.90 3.88 -0.30 3.92 2.96 0.15 -1.44 118.68 128.74 2d5i s LEU 4 Ca -0.03 0.05 -0.03 0.00 -0.22 0.00 0.00 54.13 53.90 2d5i s LEU 4 Cb -0.15 -2.01 0.04 0.00 0.50 0.00 0.00 46.19 44.57 2d5i s LEU 4 CO -0.00 0.10 0.02 -0.69 -1.32 0.00 0.00 176.35 174.46 2d5i s VAL 5 N 0.82 3.27 -0.27 1.68 1.01 0.08 0.16 120.40 127.15 2d5i s VAL 5 Ca 0.05 -1.17 -0.09 0.00 0.00 0.00 0.00 61.98 60.77 2d5i s VAL 5 Cb -0.13 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 2d5i s VAL 5 CO 0.02 -0.04 0.13 -0.76 0.00 0.00 0.00 175.10 174.45 2d5i s LEU 6 N 1.33 3.77 -0.04 3.92 1.43 0.13 -0.81 118.68 128.41 2d5i s LEU 6 Ca -0.02 -0.15 -0.03 0.00 -1.03 0.00 0.00 54.13 52.89 2d5i s LEU 6 Cb -0.19 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 2d5i s LEU 6 CO -0.00 -0.06 0.15 -0.54 0.23 0.00 0.00 176.35 176.12 2d5i s LYS 7 N 1.68 3.35 0.00 1.70 1.02 -0.24 -0.88 119.74 126.37 2d5i s LYS 7 Ca 0.07 -0.31 0.00 0.00 0.02 0.00 0.00 55.97 55.74 2d5i s LYS 7 Cb -0.16 -3.06 0.00 0.00 -0.52 0.00 0.00 37.83 34.09 2d5i s LYS 7 CO 0.07 0.70 0.10 -1.13 -0.92 0.00 0.00 175.35 174.16 2d5i n SER 8 N 1.28 0.00 -4.72 2.83 3.41 -1.24 -1.33 113.62 113.85 2d5i n SER 8 Ca -0.14 -1.00 -0.39 0.00 -0.26 0.00 0.00 58.87 57.09 2d5i n SER 8 Cb 0.53 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.52 2d5i n SER 8 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2d5i n SER 9 N 0.00 2.43 -1.55 4.04 2.88 -1.26 -4.57 113.62 115.59 2d5i n SER 9 Ca 0.00 0.96 0.10 0.00 -1.33 0.00 0.00 58.87 58.61 2d5i n SER 9 Cb 0.31 -1.55 0.35 0.00 -0.75 0.00 0.00 64.21 62.57 2d5i n SER 9 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 2d5i n ILE 10 N -1.08 1.61 -0.09 2.46 -5.35 -1.26 -4.39 119.36 111.25 2d5i n ILE 10 Ca 0.11 -1.13 0.05 0.00 -0.27 0.00 0.00 62.75 61.51 2d5i n ILE 10 Cb 0.45 0.22 0.14 0.00 -1.74 0.00 0.00 39.64 38.71 2d5i n ILE 10 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2d5i n LEU 11 N 1.31 2.78 0.00 7.28 4.77 -1.26 -5.05 117.00 126.82 2d5i n LEU 11 Ca 0.26 -1.87 0.00 0.00 -0.03 0.00 0.00 56.01 54.36 2d5i n LEU 11 Cb 0.83 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 2d5i n LEU 11 CO 0.22 0.68 0.00 0.00 -1.33 0.00 0.00 177.39 176.96 2d5i n ALA 12 N 0.50 0.00 0.24 -1.18 0.00 -1.26 -1.46 120.51 117.35 2d5i n ALA 12 Ca 0.11 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.64 2d5i n ALA 12 Cb 0.40 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.43 2d5i n ALA 12 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2d5i h GLY 13 N 0.00 0.00 1.84 0.00 0.00 -1.99 -1.91 103.07 101.01 2d5i h GLY 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2d5i h GLY 13 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.82 2d5i n TYR 14 N -3.69 0.00 -1.87 5.60 4.01 -0.53 -4.90 117.16 115.78 2d5i n TYR 14 Ca -0.01 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.31 2d5i n TYR 14 Cb 0.32 -0.42 -0.03 0.00 -0.31 0.00 0.00 39.34 38.90 2d5i n TYR 14 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2d5i s SER 15 N -2.84 6.55 0.13 7.72 0.15 -0.72 -4.95 113.70 119.74 2d5i s SER 15 Ca 0.16 2.56 -0.15 0.00 0.70 0.00 0.00 55.95 59.22 2d5i s SER 15 Cb 0.16 -2.56 -0.01 0.00 -1.71 0.00 0.00 66.02 61.89 2d5i s SER 15 CO 0.41 -0.92 1.62 1.56 1.20 0.00 0.00 173.24 177.10 2d5i h GLN 16 N 8.42 0.66 -0.14 5.44 1.08 -1.90 -1.70 115.11 126.97 2d5i h GLN 16 Ca -0.44 -0.17 -0.13 0.00 -1.45 0.00 0.00 58.65 56.47 2d5i h GLN 16 Cb 1.21 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.54 2d5i h GLN 16 CO 0.93 0.70 -0.46 0.66 -0.95 0.00 0.00 178.83 179.71 2d5i h SER 17 N 0.52 0.36 -0.38 1.46 4.64 -1.92 -1.76 113.55 116.47 2d5i h SER 17 Ca 0.12 -0.17 -0.12 0.00 -0.47 0.00 0.00 61.79 61.15 2d5i h SER 17 Cb 0.35 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 2d5i h SER 17 CO 0.01 0.78 -0.25 0.78 -0.87 0.00 0.00 176.83 177.28 2d5i h ASN 18 N 0.28 0.87 -0.95 4.97 2.35 -1.88 -0.57 115.58 120.65 2d5i h ASN 18 Ca 0.02 -0.43 -0.00 0.00 -0.55 0.00 0.00 56.30 55.34 2d5i h ASN 18 Cb 0.92 -0.24 -0.05 0.00 0.05 0.00 0.00 38.32 39.00 2d5i h ASN 18 CO 0.08 1.11 0.57 1.56 -1.65 0.00 0.00 177.43 179.10 2d5i h GLN 19 N 0.64 1.29 -0.19 0.81 4.20 -1.15 0.16 115.11 120.87 2d5i h GLN 19 Ca 0.08 -0.12 -0.08 0.00 0.06 0.00 0.00 58.65 58.60 2d5i h GLN 19 Cb 0.81 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 2d5i h GLN 19 CO 0.07 0.90 -0.22 -0.07 -0.67 0.00 0.00 178.83 178.84 2d5i h LEU 20 N 1.31 0.33 -0.36 1.46 3.38 -1.17 -1.65 115.31 118.61 2d5i h LEU 20 Ca 0.34 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 58.10 2d5i h LEU 20 Cb -0.06 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2d5i h LEU 20 CO -0.06 0.56 -0.22 0.28 0.09 0.00 0.00 178.44 179.09 2d5i h SER 21 N 0.31 0.81 -0.30 -0.43 0.02 -0.67 0.08 113.55 113.36 2d5i h SER 21 Ca 0.05 -0.42 -0.01 0.00 -0.84 0.00 0.00 61.79 60.57 2d5i h SER 21 Cb 0.56 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 2d5i h SER 21 CO 0.04 1.06 0.17 0.44 -1.14 0.00 0.00 176.83 177.39 2d5i h ASP 22 N 0.56 0.38 -0.54 3.07 3.32 -0.38 -0.69 116.42 122.13 2d5i h ASP 22 Ca 0.07 -0.09 0.06 0.00 0.02 0.00 0.00 57.03 57.10 2d5i h ASP 22 Cb 0.78 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.18 2d5i h ASP 22 CO 0.06 0.35 0.25 0.22 -1.72 0.00 0.00 179.24 178.40 2d5i h TYR 23 N 0.37 0.45 -0.02 4.55 3.20 -1.16 -1.15 116.97 123.20 2d5i h TYR 23 Ca 0.11 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.04 2d5i h TYR 23 Cb 0.06 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.16 2d5i h TYR 23 CO -0.03 0.19 -0.30 0.35 -1.64 0.00 0.00 178.16 176.73 2d5i h PHE 24 N 0.47 -0.81 -0.49 -3.82 3.04 -0.52 -0.71 116.94 114.11 2d5i h PHE 24 Ca 0.25 0.03 0.09 0.00 3.98 0.00 0.00 57.97 62.32 2d5i h PHE 24 Cb 0.21 0.36 -0.10 0.00 2.56 0.00 0.00 35.95 38.98 2d5i h PHE 24 CO -0.12 -0.39 -0.31 0.28 -2.02 0.00 0.00 178.31 175.75 2d5i h VAL 25 N -0.43 0.23 -0.38 1.41 2.07 -0.74 -0.36 116.25 118.05 2d5i h VAL 25 Ca 0.07 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.65 2d5i h VAL 25 Cb 0.53 0.23 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 2d5i h VAL 25 CO -0.27 0.00 0.03 -0.33 0.02 0.00 0.00 177.57 177.03 2d5i h GLU 26 N -0.19 0.14 -0.45 1.57 5.08 -0.87 -1.19 114.58 118.66 2d5i h GLU 26 Ca 0.21 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 2d5i h GLU 26 Cb 0.53 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2d5i h GLU 26 CO -0.60 0.09 0.14 1.96 -1.00 0.00 0.00 179.01 179.61 2d5i h GLN 27 N 0.14 0.66 -0.12 2.33 1.08 -0.77 -1.38 115.11 117.06 2d5i h GLN 27 Ca 0.18 -0.10 -0.07 0.00 -1.45 0.00 0.00 58.65 57.21 2d5i h GLN 27 Cb 0.24 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.56 2d5i h GLN 27 CO -0.28 0.57 -0.20 2.35 -0.95 0.00 0.00 178.83 180.33 2d5i h TRP 28 N 0.65 0.42 -0.74 2.96 2.91 -0.58 -1.68 115.95 119.89 2d5i h TRP 28 Ca 0.15 -0.15 0.14 0.00 1.13 0.00 0.00 58.89 60.17 2d5i h TRP 28 Cb 0.19 -0.08 -0.05 0.00 -0.51 0.00 0.00 29.16 28.71 2d5i h TRP 28 CO 0.01 0.81 0.49 0.00 -1.03 0.00 0.00 178.44 178.72 2d5i h ARG 29 N -0.08 0.41 0.10 2.65 3.08 -1.01 0.15 114.38 119.68 2d5i h ARG 29 Ca 0.01 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2d5i h ARG 29 Cb 0.78 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.73 2d5i h ARG 29 CO 0.05 0.27 -0.05 1.49 -1.07 0.00 0.00 179.97 180.65 2d5i h GLU 30 N 0.42 -0.13 0.00 0.04 4.22 -1.09 -3.17 114.58 114.86 2d5i h GLU 30 Ca 0.36 0.01 -0.11 0.00 0.08 0.00 0.00 59.36 59.70 2d5i h GLU 30 Cb 0.81 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 2d5i h GLU 30 CO -0.11 0.37 -0.66 0.87 -2.18 0.00 0.00 179.01 177.29 2d5i h LYS 31 N -0.77 0.00 -2.01 1.92 6.56 -1.11 -3.38 116.57 117.78 2d5i h LYS 31 Ca -0.01 0.00 -0.53 0.00 -1.06 0.00 0.00 60.65 59.05 2d5i h LYS 31 Cb 0.56 0.00 -0.40 0.00 -0.57 0.00 0.00 32.23 31.83 2d5i h LYS 31 CO 0.02 0.41 -1.13 0.72 -2.06 0.00 0.00 179.45 177.41 2d5i n HIS 32 N -3.13 0.05 0.55 -1.35 8.25 0.02 -4.99 115.22 114.63 2d5i n HIS 32 Ca -0.00 -3.69 0.11 0.00 -0.26 0.00 0.00 57.72 53.87 2d5i n HIS 32 Cb 0.73 -0.39 0.43 0.00 1.12 0.00 0.00 29.99 31.89 2d5i n HIS 32 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2d5i n SER 33 N 0.88 0.34 -0.06 0.41 3.41 -1.20 -2.03 113.62 115.37 2d5i n SER 33 Ca 0.23 0.57 -0.00 0.00 -0.26 0.00 0.00 58.87 59.41 2d5i n SER 33 Cb 0.58 -0.65 0.27 0.00 -0.26 0.00 0.00 64.21 64.16 2d5i n SER 33 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2d5i h ALA 34 N 2.49 1.37 -2.91 7.33 0.00 -1.94 -3.47 119.26 122.15 2d5i h ALA 34 Ca 0.00 -0.16 -0.53 0.00 0.00 0.00 0.00 54.91 54.22 2d5i h ALA 34 Cb 0.39 -0.19 0.09 0.00 0.00 0.00 0.00 17.79 18.08 2d5i h ALA 34 CO 0.00 0.45 0.67 -0.51 0.00 0.00 0.00 179.25 179.87 2d5i s ASP 35 N -6.64 6.37 0.18 0.00 1.01 -0.86 -4.97 116.67 111.76 2d5i s ASP 35 Ca -0.09 2.80 -0.02 0.00 0.71 0.00 0.00 52.55 55.96 2d5i s ASP 35 Cb 0.16 -2.65 -0.05 0.00 1.01 0.00 0.00 42.92 41.39 2d5i s ASP 35 CO 0.77 -0.82 0.38 -1.83 0.21 0.00 0.00 175.17 173.88 2d5i s GLU 36 N -2.12 3.54 -0.05 8.23 -1.05 -1.15 -5.00 118.70 121.11 2d5i s GLU 36 Ca 0.54 -0.28 0.02 0.00 -0.15 0.00 0.00 54.97 55.10 2d5i s GLU 36 Cb -0.41 -2.85 0.02 0.00 -0.44 0.00 0.00 34.13 30.45 2d5i s GLU 36 CO 0.55 0.42 -0.08 0.42 0.95 0.00 0.00 175.26 177.52 2d5i s ILE 37 N -1.81 0.75 -0.09 1.83 1.01 -1.26 -1.28 121.20 120.34 2d5i s ILE 37 Ca 0.39 -0.27 0.04 0.00 0.00 0.00 0.00 60.65 60.81 2d5i s ILE 37 Cb -0.11 -0.72 0.00 0.00 0.01 0.00 0.00 42.46 41.64 2d5i s ILE 37 CO 0.28 0.26 -0.23 -0.89 0.00 0.00 0.00 174.94 174.36 2d5i s THR 38 N 0.68 1.98 -0.21 2.92 2.01 -0.52 -4.99 115.64 117.51 2d5i s THR 38 Ca -0.11 -0.98 -0.02 0.00 0.31 0.00 0.00 61.69 60.90 2d5i s THR 38 Cb -0.14 -1.71 0.01 0.00 0.01 0.00 0.00 72.50 70.67 2d5i s THR 38 CO 0.01 0.54 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.69 2d5i s VAL 39 N 0.34 2.82 -0.21 3.82 1.01 -1.26 -0.74 120.40 126.17 2d5i s VAL 39 Ca -0.18 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 2d5i s VAL 39 Cb -0.18 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 33.95 2d5i s VAL 39 CO 0.08 0.45 -0.11 -0.60 0.00 0.00 0.00 175.10 174.92 2d5i s ARG 40 N 1.39 3.09 -0.55 2.72 3.52 0.01 -5.01 118.95 124.12 2d5i s ARG 40 Ca 0.05 -0.79 -0.18 0.00 -0.13 0.00 0.00 55.73 54.68 2d5i s ARG 40 Cb -0.14 -2.82 0.10 0.00 -1.56 0.00 0.00 34.95 30.53 2d5i s ARG 40 CO -0.07 -0.25 0.61 0.34 -0.81 0.00 0.00 175.30 175.12 2d5i s ASP 41 N 1.36 6.19 0.00 -2.12 -1.08 -1.26 -1.08 116.67 118.68 2d5i s ASP 41 Ca 0.04 -1.40 0.22 0.00 -0.52 0.00 0.00 52.55 50.89 2d5i s ASP 41 Cb -0.14 -2.27 1.00 0.00 -1.46 0.00 0.00 42.92 40.05 2d5i s ASP 41 CO -0.08 -0.96 1.71 0.18 0.52 0.00 0.00 175.17 176.54 2d5i n LEU 42 N 5.94 0.00 -0.04 -1.34 4.77 -0.44 -0.48 117.00 125.41 2d5i n LEU 42 Ca -0.10 0.43 -0.20 0.00 -0.03 0.00 0.00 56.01 56.11 2d5i n LEU 42 Cb 0.43 -0.43 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 2d5i n LEU 42 CO 0.55 -0.11 -0.25 0.00 -1.33 0.00 0.00 177.39 176.26 2d5i h ALA 43 N 2.86 0.15 0.00 -1.18 0.00 -1.81 -3.31 119.26 115.97 2d5i h ALA 43 Ca 0.00 -0.98 -0.08 0.00 0.00 0.00 0.00 54.91 53.85 2d5i h ALA 43 Cb 0.32 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2d5i h ALA 43 CO 0.00 0.58 -0.39 0.00 0.00 0.00 0.00 179.25 179.44 2d5i h ALA 44 N -0.17 1.07 -2.49 0.00 0.00 -1.87 -3.33 119.26 112.47 2d5i h ALA 44 Ca -0.24 -0.36 -0.60 0.00 0.00 0.00 0.00 54.91 53.71 2d5i h ALA 44 Cb 1.44 -0.06 -0.41 0.00 0.00 0.00 0.00 17.79 18.76 2d5i h ALA 44 CO -0.03 0.49 -0.71 0.09 0.00 0.00 0.00 179.25 179.08 2d5i n ASN 45 N -3.66 2.41 -4.77 0.00 3.02 0.37 -5.07 115.26 107.56 2d5i n ASN 45 Ca -0.01 -3.11 -0.41 0.00 -0.03 0.00 0.00 54.58 51.02 2d5i n ASN 45 Cb 0.49 -0.68 -0.02 0.00 -0.61 0.00 0.00 39.78 38.96 2d5i n ASN 45 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 2d5i s PRO 46 N -1.60 4.28 0.07 3.52 0.02 -1.25 -4.41 135.00 135.62 2d5i s PRO 46 Ca 0.33 2.31 -0.20 0.00 0.02 0.00 0.00 61.00 63.46 2d5i s PRO 46 Cb 0.07 -3.06 -0.06 0.00 0.02 0.00 0.00 34.50 31.47 2d5i s PRO 46 CO -0.11 -0.31 0.60 0.42 -0.33 0.00 0.00 177.00 177.28 2d5i s ILE 47 N -0.92 4.74 0.66 2.83 -1.09 -1.26 -5.06 121.20 121.10 2d5i s ILE 47 Ca 0.52 1.28 -0.15 0.00 -2.23 0.00 0.00 60.65 60.07 2d5i s ILE 47 Cb -0.42 -3.93 0.00 0.00 -1.58 0.00 0.00 42.46 36.53 2d5i s ILE 47 CO 0.53 0.52 1.12 -2.16 -1.23 0.00 0.00 174.94 173.72 2d5i s PRO 48 N -0.89 2.77 0.26 2.79 0.04 -1.26 -4.90 135.00 133.82 2d5i s PRO 48 Ca 0.30 1.42 -0.31 0.00 0.04 0.00 0.00 61.00 62.46 2d5i s PRO 48 Cb -0.20 -1.94 -0.12 0.00 0.04 0.00 0.00 34.50 32.28 2d5i s PRO 48 CO 0.19 -1.28 1.59 0.28 0.04 0.00 0.00 177.00 177.83 2d5i n VAL 49 N -2.40 0.76 -2.02 -0.36 0.31 -1.26 -4.81 118.33 108.56 2d5i n VAL 49 Ca 0.11 -0.19 -0.42 0.00 -0.01 0.00 0.00 64.34 63.83 2d5i n VAL 49 Cb 0.52 -1.87 -0.03 0.00 -0.91 0.00 0.00 33.84 31.55 2d5i n VAL 49 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 2d5i s LEU 50 N 0.00 3.46 0.00 7.52 2.96 -1.26 -4.91 118.68 126.45 2d5i s LEU 50 Ca 0.68 1.05 0.00 0.00 -0.22 0.00 0.00 54.13 55.64 2d5i s LEU 50 Cb -0.53 -3.25 0.00 0.00 0.50 0.00 0.00 46.19 42.91 2d5i s LEU 50 CO 0.45 -1.88 0.04 -0.90 -1.32 0.00 0.00 176.35 172.74 2d5i n ASP 51 N 10.94 2.45 0.21 3.68 5.75 -1.26 -4.94 116.55 133.38 2d5i n ASP 51 Ca 0.22 -1.98 0.18 0.00 -0.01 0.00 0.00 54.79 53.20 2d5i n ASP 51 Cb 0.48 0.12 0.83 0.00 -1.03 0.00 0.00 41.12 41.53 2d5i n ASP 51 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2d5i h GLY 52 N 0.50 0.00 0.00 6.12 0.00 -2.01 -1.59 103.07 106.09 2d5i h GLY 52 Ca -0.19 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 46.86 2d5i h GLY 52 CO 0.30 0.00 -1.58 -2.21 0.00 0.00 0.00 176.54 173.06 2d5i n GLU 53 N -3.58 0.57 0.23 4.80 2.13 -1.26 -4.33 120.64 119.21 2d5i n GLU 53 Ca 0.02 0.50 0.08 0.00 0.66 0.00 0.00 57.16 58.41 2d5i n GLU 53 Cb 0.39 -1.68 0.57 0.00 0.27 0.00 0.00 31.44 30.99 2d5i n GLU 53 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 2d5i h LEU 54 N -1.00 0.00 -1.62 4.31 3.38 -1.87 -2.53 115.31 115.98 2d5i h LEU 54 Ca -0.43 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.50 2d5i h LEU 54 Cb 1.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 2d5i h LEU 54 CO -0.26 0.18 -0.10 1.62 0.09 0.00 0.00 178.44 179.96 2d5i h VAL 55 N 0.00 1.12 -0.08 1.22 3.04 -1.48 -1.55 116.25 118.52 2d5i h VAL 55 Ca -0.00 -0.53 -0.03 0.00 -1.01 0.00 0.00 66.70 65.13 2d5i h VAL 55 Cb 0.35 1.17 -0.01 0.00 -2.01 0.00 0.00 31.29 30.80 2d5i h VAL 55 CO 0.02 0.16 -0.08 1.23 -1.01 0.00 0.00 177.57 177.90 2d5i h GLY 56 N 0.51 0.12 2.00 3.17 0.00 -1.65 -2.20 103.07 105.02 2d5i h GLY 56 Ca 0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 2d5i h GLY 56 CO 0.01 0.06 -0.01 0.00 0.00 0.00 0.00 176.54 176.60 2d5i h ALA 57 N 1.81 1.23 -0.01 3.60 0.00 -1.37 -2.97 119.26 121.54 2d5i h ALA 57 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2d5i h ALA 57 Cb 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2d5i h ALA 57 CO 0.01 0.02 -0.41 1.28 0.00 0.00 0.00 179.25 180.15 2d5i n LEU 58 N -3.43 1.67 -4.80 0.00 4.77 -0.83 -4.68 117.00 109.70 2d5i n LEU 58 Ca -0.03 -0.58 -0.37 0.00 -0.03 0.00 0.00 56.01 55.01 2d5i n LEU 58 Cb 0.11 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.09 2d5i n LEU 58 CO 0.24 0.31 -0.08 -0.13 -1.33 0.00 0.00 177.39 176.41 2d5i s ARG 59 N -2.50 3.92 0.06 3.23 0.52 -1.12 -4.75 118.95 118.31 2d5i s ARG 59 Ca 0.20 0.01 -0.30 0.00 -0.52 0.00 0.00 55.73 55.12 2d5i s ARG 59 Cb 0.18 -3.31 -0.09 0.00 0.52 0.00 0.00 34.95 32.25 2d5i s ARG 59 CO 0.56 0.50 1.77 -1.25 0.02 0.00 0.00 175.30 176.91 2d5i s PRO 60 N -0.30 4.17 0.16 3.54 0.04 -1.26 -4.92 135.00 136.42 2d5i s PRO 60 Ca 0.16 2.45 -0.12 0.00 0.04 0.00 0.00 61.00 63.52 2d5i s PRO 60 Cb -0.13 -3.79 0.01 0.00 0.04 0.00 0.00 34.50 30.63 2d5i s PRO 60 CO 0.04 -0.83 0.36 0.45 0.04 0.00 0.00 177.00 177.06 2d5i s SER 61 N 3.10 -0.07 -0.14 6.66 0.15 -1.26 -4.99 113.70 117.15 2d5i s SER 61 Ca 0.79 -0.66 0.18 0.00 0.70 0.00 0.00 55.95 56.96 2d5i s SER 61 Cb -0.41 0.47 0.35 0.00 -1.71 0.00 0.00 66.02 64.72 2d5i s SER 61 CO 0.35 -0.91 1.23 -0.90 1.20 0.00 0.00 173.24 174.21 2d5i n ASP 62 N -0.23 2.80 -4.79 5.45 3.85 -1.26 -5.02 116.55 117.35 2d5i n ASP 62 Ca -0.10 -3.03 -0.39 0.00 -0.71 0.00 0.00 54.79 50.56 2d5i n ASP 62 Cb 0.63 -0.45 -0.06 0.00 -1.35 0.00 0.00 41.12 39.89 2d5i n ASP 62 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2d5i s ALA 63 N -2.80 3.47 0.43 2.12 0.00 -1.26 -5.03 121.76 118.70 2d5i s ALA 63 Ca 0.34 0.28 -0.25 0.00 0.00 0.00 0.00 51.96 52.33 2d5i s ALA 63 Cb 0.29 -2.88 -0.09 0.00 0.00 0.00 0.00 23.12 20.43 2d5i s ALA 63 CO 0.05 0.32 1.28 -2.30 0.00 0.00 0.00 175.76 175.10 2d5i n PRO 64 N 1.53 1.91 -4.35 0.00 -0.02 -1.26 -5.01 135.00 127.81 2d5i n PRO 64 Ca -0.06 0.68 -0.35 0.00 -2.02 0.00 0.00 63.50 61.75 2d5i n PRO 64 Cb 0.49 -2.40 -0.09 0.00 -0.02 0.00 0.00 33.50 31.48 2d5i n PRO 64 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2d5i s LEU 65 N -1.84 3.59 0.86 2.45 1.43 -1.26 -5.12 118.68 118.79 2d5i s LEU 65 Ca 0.62 0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 53.74 2d5i s LEU 65 Cb -0.50 -1.86 0.11 0.00 0.03 0.00 0.00 46.19 43.98 2d5i s LEU 65 CO 0.57 0.37 1.10 0.42 0.23 0.00 0.00 176.35 179.04 2d5i s THR 66 N -0.92 2.79 0.25 5.49 -4.23 -1.26 -4.73 115.64 113.03 2d5i s THR 66 Ca 0.14 0.26 -0.05 0.00 -1.18 0.00 0.00 61.69 60.86 2d5i s THR 66 Cb -0.11 -2.61 0.23 0.00 1.34 0.00 0.00 72.50 71.35 2d5i s THR 66 CO 0.04 -0.34 1.69 -0.65 -0.54 0.00 0.00 174.62 174.82 2d5i h PRO 67 N -1.49 0.28 -0.54 3.99 0.11 -1.99 -0.93 132.00 131.43 2d5i h PRO 67 Ca -0.46 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 2d5i h PRO 67 Cb 1.26 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 2d5i h PRO 67 CO 0.50 0.19 -0.00 0.00 -0.21 0.00 0.00 178.00 178.47 2d5i h ARG 68 N 0.29 0.92 -0.62 1.05 3.08 -1.99 -1.78 114.38 115.34 2d5i h ARG 68 Ca 0.42 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 2d5i h ARG 68 Cb 0.71 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.64 2d5i h ARG 68 CO -0.50 0.92 0.34 1.96 -1.07 0.00 0.00 179.97 181.62 2d5i h GLN 69 N 0.85 0.86 -0.57 0.04 4.20 -1.75 -0.76 115.11 117.98 2d5i h GLN 69 Ca 0.16 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2d5i h GLN 69 Cb 0.51 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 2d5i h GLN 69 CO 0.03 0.65 0.37 1.96 -0.67 0.00 0.00 178.83 181.17 2d5i h GLN 70 N 0.84 0.76 -0.27 1.46 4.20 -0.88 0.41 115.11 121.62 2d5i h GLN 70 Ca 0.22 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.76 2d5i h GLN 70 Cb 0.04 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 2d5i h GLN 70 CO -0.03 0.52 -0.31 0.93 -0.67 0.00 0.00 178.83 179.26 2d5i h GLU 71 N 0.77 0.57 0.05 1.46 5.08 -0.90 -2.04 114.58 119.57 2d5i h GLU 71 Ca 0.21 -0.25 -0.26 0.00 -1.00 0.00 0.00 59.36 58.06 2d5i h GLU 71 Cb -0.07 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.18 2d5i h GLU 71 CO -0.04 0.81 -1.07 0.00 -1.00 0.00 0.00 179.01 177.70 2d5i h ALA 72 N 1.18 0.20 -0.28 3.43 0.00 -0.76 -1.14 119.26 121.88 2d5i h ALA 72 Ca 0.06 -0.75 0.02 0.00 0.00 0.00 0.00 54.91 54.25 2d5i h ALA 72 Cb 0.78 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 2d5i h ALA 72 CO 0.06 0.79 0.12 1.25 0.00 0.00 0.00 179.25 181.47 2d5i h LEU 73 N 0.25 0.16 -1.25 0.00 5.85 -0.80 0.12 115.31 119.63 2d5i h LEU 73 Ca -0.12 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 2d5i h LEU 73 Cb 1.73 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.74 2d5i h LEU 73 CO 0.19 0.13 -0.03 0.00 -0.34 0.00 0.00 178.44 178.39 2d5i h ALA 74 N 1.16 1.39 -0.03 1.25 0.00 -1.22 -0.47 119.26 121.34 2d5i h ALA 74 Ca 0.12 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 2d5i h ALA 74 Cb 0.06 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.73 2d5i h ALA 74 CO -0.10 0.42 -0.53 1.25 0.00 0.00 0.00 179.25 180.30 2d5i h LEU 75 N 0.45 0.52 -0.46 0.00 5.85 -1.08 -1.44 115.31 119.14 2d5i h LEU 75 Ca 0.10 -0.72 0.09 0.00 0.84 0.00 0.00 57.88 58.19 2d5i h LEU 75 Cb 0.34 -0.16 -0.10 0.00 0.37 0.00 0.00 40.66 41.12 2d5i h LEU 75 CO 0.01 1.16 -0.21 -1.28 -0.34 0.00 0.00 178.44 177.79 2d5i h SER 76 N -0.08 -0.71 -0.81 1.25 0.87 -0.59 0.11 113.55 113.59 2d5i h SER 76 Ca -0.06 0.17 -0.03 0.00 -1.23 0.00 0.00 61.79 60.64 2d5i h SER 76 Cb 1.22 0.39 -0.04 0.00 -0.44 0.00 0.00 62.40 63.53 2d5i h SER 76 CO 0.11 -0.23 0.38 0.44 -0.53 0.00 0.00 176.83 176.99 2d5i h ASP 77 N -0.11 1.07 -0.47 6.23 3.32 -1.00 -2.14 116.42 123.32 2d5i h ASP 77 Ca 0.22 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 2d5i h ASP 77 Cb 0.45 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 2d5i h ASP 77 CO -0.53 0.90 0.07 -0.08 -1.72 0.00 0.00 179.24 177.88 2d5i h GLU 78 N 1.16 0.78 -0.39 3.56 4.81 -0.54 -2.25 114.58 121.72 2d5i h GLU 78 Ca 0.28 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 2d5i h GLU 78 Cb 0.13 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 2d5i h GLU 78 CO -0.03 0.80 0.14 -0.07 -0.73 0.00 0.00 179.01 179.11 2d5i h LEU 79 N 0.65 0.50 0.16 1.64 3.38 -0.74 -1.55 115.31 119.34 2d5i h LEU 79 Ca 0.14 -0.05 -0.28 0.00 0.09 0.00 0.00 57.88 57.78 2d5i h LEU 79 Cb 0.40 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.03 2d5i h LEU 79 CO 0.01 0.47 -1.34 0.40 0.09 0.00 0.00 178.44 178.07 2d5i h ILE 80 N 0.55 1.17 0.18 1.22 2.04 -1.35 -1.21 117.51 120.10 2d5i h ILE 80 Ca 0.13 -2.50 0.01 0.00 1.00 0.00 0.00 64.86 63.51 2d5i h ILE 80 Cb 0.14 2.89 -0.04 0.00 -0.74 0.00 0.00 36.82 39.07 2d5i h ILE 80 CO -0.01 0.75 -0.34 0.00 0.00 0.00 0.00 178.15 178.55 2d5i h ALA 81 N 0.04 -0.62 -0.80 1.87 0.00 -1.33 -1.12 119.26 117.31 2d5i h ALA 81 Ca -0.27 -0.07 0.18 0.00 0.00 0.00 0.00 54.91 54.76 2d5i h ALA 81 Cb 1.85 0.54 -0.12 0.00 0.00 0.00 0.00 17.79 20.07 2d5i h ALA 81 CO 0.14 -0.90 0.24 1.49 0.00 0.00 0.00 179.25 180.22 2d5i h GLU 82 N -0.60 0.30 0.11 0.00 4.81 -1.25 0.41 114.58 118.35 2d5i h GLU 82 Ca 0.02 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2d5i h GLU 82 Cb 0.61 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.92 2d5i h GLU 82 CO -0.16 0.20 -0.05 1.25 -0.73 0.00 0.00 179.01 179.51 2d5i h LEU 83 N 0.31 -0.13 -1.70 1.64 5.85 -0.93 -2.62 115.31 117.73 2d5i h LEU 83 Ca 0.47 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.93 2d5i h LEU 83 Cb 0.84 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 2d5i h LEU 83 CO -0.53 0.20 0.18 0.11 -0.34 0.00 0.00 178.44 178.06 2d5i h LYS 84 N -0.46 0.38 0.00 1.25 1.57 -0.88 -2.59 116.57 115.84 2d5i h LYS 84 Ca -0.02 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2d5i h LYS 84 Cb 0.38 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2d5i h LYS 84 CO 0.02 0.26 0.00 0.00 -0.57 0.00 0.00 179.45 179.16 2d5i n ALA 85 N -2.49 1.93 -2.47 3.86 0.00 0.14 -4.82 120.51 116.64 2d5i n ALA 85 Ca 0.01 -0.08 -0.27 0.00 0.00 0.00 0.00 53.44 53.11 2d5i n ALA 85 Cb 0.07 -1.29 -0.11 0.00 0.00 0.00 0.00 19.45 18.12 2d5i n ALA 85 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2d5i s HIS 86 N -2.71 2.41 -0.17 0.00 3.76 -0.98 -4.90 115.29 112.71 2d5i s HIS 86 Ca 0.15 -0.31 -0.04 0.00 -0.15 0.00 0.00 55.06 54.70 2d5i s HIS 86 Cb 0.12 -1.18 -0.23 0.00 1.11 0.00 0.00 32.58 32.40 2d5i s HIS 86 CO 0.29 0.51 0.15 -0.25 -0.85 0.00 0.00 174.74 174.60 2d5i n ASP 87 N 0.15 2.07 -4.23 1.40 8.00 -0.00 -4.89 116.55 119.04 2d5i n ASP 87 Ca -0.12 0.10 -0.34 0.00 0.71 0.00 0.00 54.79 55.15 2d5i n ASP 87 Cb 0.56 -0.71 -0.15 0.00 -0.02 0.00 0.00 41.12 40.80 2d5i n ASP 87 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2d5i s VAL 88 N -2.54 2.75 -0.27 2.53 1.01 -0.90 -1.33 120.40 121.64 2d5i s VAL 88 Ca -0.27 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 60.97 2d5i s VAL 88 Cb 0.08 -2.20 0.03 0.00 0.00 0.00 0.00 36.38 34.29 2d5i s VAL 88 CO 0.70 0.49 -0.02 -0.63 0.00 0.00 0.00 175.10 175.64 2d5i s ILE 89 N 1.25 3.07 -0.24 2.22 -1.09 0.23 0.30 121.20 126.95 2d5i s ILE 89 Ca 0.03 -1.11 -0.09 0.00 -2.23 0.00 0.00 60.65 57.25 2d5i s ILE 89 Cb -0.14 -2.64 -0.04 0.00 -1.58 0.00 0.00 42.46 38.06 2d5i s ILE 89 CO -0.06 0.07 0.11 -0.69 -1.23 0.00 0.00 174.94 173.13 2d5i s VAL 90 N 1.32 4.79 -0.28 2.92 1.01 0.41 -0.62 120.40 129.96 2d5i s VAL 90 Ca -0.01 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 61.97 2d5i s VAL 90 Cb -0.18 -3.23 0.06 0.00 0.00 0.00 0.00 36.38 33.03 2d5i s VAL 90 CO -0.02 0.35 -0.07 -0.63 0.00 0.00 0.00 175.10 174.73 2d5i s ILE 91 N 1.25 2.34 -0.34 2.22 1.01 -0.27 0.17 121.20 127.59 2d5i s ILE 91 Ca 0.06 -1.66 -0.28 0.00 0.00 0.00 0.00 60.65 58.77 2d5i s ILE 91 Cb -0.14 -2.41 0.02 0.00 0.01 0.00 0.00 42.46 39.93 2d5i s ILE 91 CO 0.05 -0.10 1.03 0.00 0.00 0.00 0.00 174.94 175.92 2d5i s ALA 92 N 1.11 3.45 -0.62 9.38 0.00 -0.06 -0.98 121.76 134.04 2d5i s ALA 92 Ca -0.06 -0.20 0.06 0.00 0.00 0.00 0.00 51.96 51.76 2d5i s ALA 92 Cb -0.20 -3.64 0.23 0.00 0.00 0.00 0.00 23.12 19.50 2d5i s ALA 92 CO -0.05 -1.56 0.64 0.00 0.00 0.00 0.00 175.76 174.80 2d5i n ALA 93 N 6.90 3.69 -1.75 0.00 0.00 -0.23 -3.72 120.51 125.40 2d5i n ALA 93 Ca 0.10 -4.50 -0.39 0.00 0.00 0.00 0.00 53.44 48.65 2d5i n ALA 93 Cb 0.48 -0.92 0.03 0.00 0.00 0.00 0.00 19.45 19.04 2d5i n ALA 93 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2d5i n PRO 94 N 1.28 1.93 -3.42 0.00 -0.04 -1.26 -3.83 135.00 129.66 2d5i n PRO 94 Ca 0.26 0.70 -0.38 0.00 -0.04 0.00 0.00 63.50 64.04 2d5i n PRO 94 Cb 0.41 -2.59 -0.07 0.00 -0.04 0.00 0.00 33.50 31.20 2d5i n PRO 94 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 2d5i s MET 95 N -2.68 4.18 -0.11 0.54 1.75 -0.75 -3.41 119.30 118.83 2d5i s MET 95 Ca 0.67 0.17 0.00 0.00 -1.25 0.00 0.00 55.69 55.28 2d5i s MET 95 Cb -0.43 -3.52 0.02 0.00 2.84 0.00 0.00 34.83 33.74 2d5i s MET 95 CO 0.53 0.00 -0.10 0.71 -0.65 0.00 0.00 175.02 175.51 2d5i s TYR 96 N 1.19 1.63 -1.36 4.11 2.02 -0.10 -4.77 117.35 120.07 2d5i s TYR 96 Ca 0.18 -0.80 -0.03 0.00 -0.37 0.00 0.00 57.07 56.05 2d5i s TYR 96 Cb -0.14 -1.28 0.02 0.00 -0.40 0.00 0.00 41.96 40.15 2d5i s TYR 96 CO 0.07 -0.50 0.76 0.09 -1.57 0.00 0.00 175.55 174.41 2d5i n ASN 97 N 4.66 -2.02 0.00 2.29 3.02 -1.26 -1.58 115.26 120.37 2d5i n ASN 97 Ca -0.16 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.58 2d5i n ASN 97 Cb 0.50 -4.01 0.00 0.00 -0.61 0.00 0.00 39.78 35.67 2d5i n ASN 97 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2d5i n PHE 98 N -4.38 0.00 -4.58 3.10 3.72 -1.26 -4.97 117.46 109.09 2d5i n PHE 98 Ca -0.22 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 56.91 2d5i n PHE 98 Cb 0.64 -1.73 -0.09 0.00 -0.94 0.00 0.00 39.48 37.36 2d5i n PHE 98 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2d5i s ASN 99 N -2.00 3.23 0.99 4.37 3.04 -0.61 -4.31 114.94 119.64 2d5i s ASN 99 Ca 0.00 -1.51 -0.13 0.00 0.04 0.00 0.00 52.86 51.26 2d5i s ASN 99 Cb 0.00 0.12 0.18 0.00 -1.54 0.00 0.00 41.25 40.02 2d5i s ASN 99 CO 0.00 -0.70 1.11 0.27 -3.04 0.00 0.00 177.10 174.74 2d5i s ILE 100 N -3.04 1.98 0.54 -5.21 -4.36 -1.26 -0.92 121.20 108.92 2d5i s ILE 100 Ca 0.26 0.00 -0.20 0.00 -0.26 0.00 0.00 60.65 60.45 2d5i s ILE 100 Cb 0.06 -2.58 -0.06 0.00 1.25 0.00 0.00 42.46 41.13 2d5i s ILE 100 CO 0.13 0.00 1.14 -0.94 0.24 0.00 0.00 174.94 175.51 2d5i s SER 101 N -3.67 5.74 0.43 4.36 1.04 -1.22 -4.57 113.70 115.81 2d5i s SER 101 Ca 0.65 2.21 0.13 0.00 0.48 0.00 0.00 55.95 59.43 2d5i s SER 101 Cb -0.17 -2.59 0.93 0.00 0.10 0.00 0.00 66.02 64.30 2d5i s SER 101 CO 0.56 -1.21 1.97 0.74 0.98 0.00 0.00 173.24 176.28 2d5i h THR 102 N 1.27 1.15 -0.94 2.02 2.02 -1.96 -2.06 112.91 114.41 2d5i h THR 102 Ca -0.50 -0.68 -0.01 0.00 0.77 0.00 0.00 66.41 65.99 2d5i h THR 102 Cb 1.26 1.31 -0.05 0.00 -1.74 0.00 0.00 68.15 68.94 2d5i h THR 102 CO 0.57 0.20 0.56 1.56 0.37 0.00 0.00 175.52 178.78 2d5i h GLN 103 N 0.06 1.27 -0.06 6.66 7.50 -1.89 -1.03 115.11 127.63 2d5i h GLN 103 Ca 0.01 -0.12 -0.12 0.00 0.50 0.00 0.00 58.65 58.93 2d5i h GLN 103 Cb 0.34 -0.27 0.01 0.00 0.05 0.00 0.00 27.48 27.61 2d5i h GLN 103 CO 0.02 0.89 -0.42 1.25 -1.50 0.00 0.00 178.83 179.08 2d5i h LEU 104 N 1.29 0.47 -0.61 1.46 5.85 -1.68 -3.22 115.31 118.87 2d5i h LEU 104 Ca 0.34 -0.68 0.09 0.00 0.84 0.00 0.00 57.88 58.47 2d5i h LEU 104 Cb -0.05 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 40.77 2d5i h LEU 104 CO -0.06 1.08 0.23 0.50 -0.34 0.00 0.00 178.44 179.84 2d5i h LYS 105 N -0.09 0.39 -0.43 1.25 3.64 -1.17 -1.16 116.57 119.00 2d5i h LYS 105 Ca -0.04 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 2d5i h LYS 105 Cb 1.09 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.80 2d5i h LYS 105 CO 0.09 0.26 0.22 -0.91 -2.27 0.00 0.00 179.45 176.83 2d5i h ASN 106 N 0.41 0.53 -0.17 4.20 2.35 -1.27 0.70 115.58 122.33 2d5i h ASN 106 Ca 0.31 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.99 2d5i h ASN 106 Cb 0.38 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 2d5i h ASN 106 CO -0.31 0.45 0.01 0.22 -1.65 0.00 0.00 177.43 176.15 2d5i h TYR 107 N 0.60 0.31 -0.35 1.19 3.20 -1.31 -2.59 116.97 118.02 2d5i h TYR 107 Ca 0.15 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.97 2d5i h TYR 107 Cb 0.05 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 2d5i h TYR 107 CO 0.00 0.49 0.23 0.74 -1.64 0.00 0.00 178.16 177.98 2d5i h PHE 108 N 0.05 0.45 -0.09 -3.82 0.04 -0.17 -1.45 116.94 111.95 2d5i h PHE 108 Ca 0.05 0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.85 2d5i h PHE 108 Cb 0.36 -0.15 -0.00 0.00 2.20 0.00 0.00 35.95 38.35 2d5i h PHE 108 CO 0.03 0.30 0.13 -0.44 -0.60 0.00 0.00 178.31 177.73 2d5i h ASP 109 N 0.47 0.00 0.46 2.17 3.32 -0.87 0.04 116.42 122.01 2d5i h ASP 109 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 2d5i h ASP 109 Cb -0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.52 2d5i h ASP 109 CO -0.03 0.00 -1.04 0.18 -1.72 0.00 0.00 179.24 176.63 2d5i n LEU 110 N -3.58 0.61 -0.05 1.55 4.77 -0.95 -4.40 117.00 114.95 2d5i n LEU 110 Ca -0.01 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 2d5i n LEU 110 Cb 0.23 -0.09 -0.14 0.00 -2.33 0.00 0.00 43.42 41.08 2d5i n LEU 110 CO 0.25 0.03 -0.83 0.52 -1.33 0.00 0.00 177.39 176.03 2d5i n VAL 111 N -2.01 1.57 -2.58 4.08 0.31 -0.54 -4.75 118.33 114.41 2d5i n VAL 111 Ca 0.02 -0.77 -0.42 0.00 -0.01 0.00 0.00 64.34 63.16 2d5i n VAL 111 Cb 0.45 -1.02 -0.03 0.00 -0.91 0.00 0.00 33.84 32.33 2d5i n VAL 111 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2d5i s ALA 112 N -2.55 2.97 -0.08 3.52 0.00 -0.11 -4.62 121.76 120.89 2d5i s ALA 112 Ca -0.12 -0.91 -0.03 0.00 0.00 0.00 0.00 51.96 50.90 2d5i s ALA 112 Cb 0.07 -4.06 0.04 0.00 0.00 0.00 0.00 23.12 19.17 2d5i s ALA 112 CO 0.80 -2.74 0.16 1.03 0.00 0.00 0.00 175.76 175.00 2d5i s ARG 113 N 5.05 0.06 0.25 0.00 0.52 -1.26 -4.94 118.95 118.63 2d5i s ARG 113 Ca 0.42 0.49 -0.31 0.00 -0.52 0.00 0.00 55.73 55.81 2d5i s ARG 113 Cb -0.08 -0.23 -0.11 0.00 0.52 0.00 0.00 34.95 35.05 2d5i s ARG 113 CO 0.24 -0.25 1.57 0.00 0.02 0.00 0.00 175.30 176.88 2d5i s ALA 114 N 1.85 3.75 0.00 2.13 0.00 -1.26 -1.02 121.76 127.21 2d5i s ALA 114 Ca -0.02 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.43 2d5i s ALA 114 Cb -0.12 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.37 2d5i s ALA 114 CO -0.06 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.23 2d5i n GLY 115 N 2.71 0.72 1.11 0.00 0.00 0.37 -4.82 105.19 105.27 2d5i n GLY 115 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2d5i n GLY 115 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2d5i n VAL 116 N -2.00 0.57 0.48 1.61 0.31 -0.19 -4.89 118.33 114.22 2d5i n VAL 116 Ca 0.00 0.19 0.06 0.00 -0.01 0.00 0.00 64.34 64.57 2d5i n VAL 116 Cb 0.00 -1.46 -0.07 0.00 -0.91 0.00 0.00 33.84 31.40 2d5i n VAL 116 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2d5i n THR 117 N -3.23 0.00 -4.12 2.52 -2.24 -0.28 -4.76 114.28 102.17 2d5i n THR 117 Ca 0.00 -0.23 -0.12 0.00 -2.27 0.00 0.00 64.05 61.43 2d5i n THR 117 Cb 0.23 0.89 -0.07 0.00 -2.10 0.00 0.00 70.33 69.28 2d5i n THR 117 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 2d5i s PHE 118 N -2.22 0.93 -0.11 4.78 -0.12 -1.20 -1.21 117.98 118.83 2d5i s PHE 118 Ca 0.03 -1.17 -0.20 0.00 -0.05 0.00 0.00 56.93 55.54 2d5i s PHE 118 Cb 0.09 -0.24 0.05 0.00 -0.63 0.00 0.00 43.02 42.29 2d5i s PHE 118 CO 0.49 -0.87 0.50 -0.98 -0.05 0.00 0.00 175.22 174.31 2d5i s ARG 119 N -3.85 0.73 0.59 1.99 1.70 -0.69 0.14 118.95 119.56 2d5i s ARG 119 Ca 0.32 0.36 -0.11 0.00 -0.47 0.00 0.00 55.73 55.83 2d5i s ARG 119 Cb 0.03 0.34 -0.04 0.00 -0.57 0.00 0.00 34.95 34.71 2d5i s ARG 119 CO 0.14 -0.16 0.99 0.71 -1.08 0.00 0.00 175.30 175.89 2d5i s TYR 120 N -0.51 3.60 -0.16 5.89 2.02 -1.26 -0.56 117.35 126.37 2d5i s TYR 120 Ca -0.06 1.25 -0.29 0.00 -0.37 0.00 0.00 57.07 57.59 2d5i s TYR 120 Cb -0.03 -2.67 0.11 0.00 -0.40 0.00 0.00 41.96 38.96 2d5i s TYR 120 CO 0.04 -0.59 0.90 0.99 -1.57 0.00 0.00 175.55 175.33 2d5i s THR 121 N -3.04 0.00 0.23 -0.71 2.01 -1.04 -4.88 115.64 108.21 2d5i s THR 121 Ca 0.54 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 62.50 2d5i s THR 121 Cb -0.11 -1.00 0.36 0.00 0.01 0.00 0.00 72.50 71.76 2d5i s THR 121 CO 0.50 0.00 1.25 1.21 -0.69 0.00 0.00 174.62 176.88 2d5i n GLU 122 N 1.13 -0.07 -1.62 4.92 2.13 -1.26 -1.90 120.64 123.97 2d5i n GLU 122 Ca -0.13 1.23 -0.36 0.00 0.66 0.00 0.00 57.16 58.57 2d5i n GLU 122 Cb 0.57 -1.87 0.04 0.00 0.27 0.00 0.00 31.44 30.46 2d5i n GLU 122 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2d5i n ASN 123 N -5.27 7.43 0.00 4.31 3.02 -1.26 -5.00 115.26 118.49 2d5i n ASN 123 Ca 0.14 -3.71 0.00 0.00 -0.03 0.00 0.00 54.58 50.98 2d5i n ASN 123 Cb 0.44 -1.06 0.00 0.00 -0.61 0.00 0.00 39.78 38.56 2d5i n ASN 123 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2d5i n GLY 124 N -0.47 -1.00 3.66 7.41 0.00 -0.80 -4.91 105.19 109.09 2d5i n GLY 124 Ca 0.55 -1.64 -0.43 0.00 0.00 0.00 0.00 46.02 44.50 2d5i n GLY 124 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2d5i n PRO 125 N -0.92 1.82 -4.40 1.61 -0.02 -1.26 -2.50 135.00 129.33 2d5i n PRO 125 Ca 0.00 0.64 -0.20 0.00 -2.02 0.00 0.00 63.50 61.92 2d5i n PRO 125 Cb 0.00 -2.16 -0.15 0.00 -0.02 0.00 0.00 33.50 31.17 2d5i n PRO 125 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2d5i s GLU 126 N -1.80 0.89 0.17 -0.52 2.12 0.28 -4.95 118.70 114.89 2d5i s GLU 126 Ca 0.57 -0.33 -0.27 0.00 0.36 0.00 0.00 54.97 55.30 2d5i s GLU 126 Cb -0.61 -0.85 -0.08 0.00 0.26 0.00 0.00 34.13 32.86 2d5i s GLU 126 CO 0.61 0.16 0.84 0.20 -0.54 0.00 0.00 175.26 176.53 2d5i s GLY 127 N 0.00 2.98 0.00 -1.50 0.00 -1.24 -1.70 107.32 105.86 2d5i s GLY 127 Ca -0.00 0.45 0.16 0.00 0.00 0.00 0.00 44.72 45.33 2d5i s GLY 127 CO 0.00 1.05 0.84 1.04 0.00 0.00 0.00 173.10 176.04 2d5i n LEU 128 N 1.83 1.61 -4.43 0.66 4.77 -0.35 -4.61 117.00 116.48 2d5i n LEU 128 Ca -0.03 -0.77 -0.44 0.00 -0.03 0.00 0.00 56.01 54.74 2d5i n LEU 128 Cb 0.48 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.53 2d5i n LEU 128 CO 0.48 0.31 0.65 -0.69 -1.33 0.00 0.00 177.39 176.81 2d5i s VAL 129 N -1.85 4.51 0.29 4.08 1.01 0.14 -4.93 120.40 123.65 2d5i s VAL 129 Ca 0.13 -0.65 0.10 0.00 0.00 0.00 0.00 61.98 61.57 2d5i s VAL 129 Cb 0.13 -4.63 -0.05 0.00 0.00 0.00 0.00 36.38 31.83 2d5i s VAL 129 CO 0.39 -1.35 -0.08 0.42 0.00 0.00 0.00 175.10 174.48 2d5i s THR 130 N 3.52 2.90 -0.56 3.92 -4.23 -1.26 -3.49 115.64 116.44 2d5i s THR 130 Ca 0.19 -2.12 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 2d5i s THR 130 Cb -0.19 -2.63 0.00 0.00 1.34 0.00 0.00 72.50 71.03 2d5i s THR 130 CO 0.08 -0.35 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 2d5i n GLY 131 N -0.80 0.57 3.71 3.99 0.00 -1.26 -5.04 105.19 106.35 2d5i n GLY 131 Ca -0.05 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 2d5i n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d5i s LYS 132 N -3.15 2.69 -0.22 1.61 -0.14 -1.26 -4.93 119.74 114.35 2d5i s LYS 132 Ca 0.00 -0.74 -0.08 0.00 -1.36 0.00 0.00 55.97 53.79 2d5i s LYS 132 Cb 0.00 -2.62 -0.04 0.00 -1.68 0.00 0.00 37.83 33.49 2d5i s LYS 132 CO 0.00 0.57 0.07 0.21 -0.76 0.00 0.00 175.35 175.44 2d5i s LYS 133 N -2.13 3.84 -0.12 1.68 2.20 -0.45 -4.45 119.74 120.31 2d5i s LYS 133 Ca 0.25 -0.40 -0.04 0.00 -0.36 0.00 0.00 55.97 55.42 2d5i s LYS 133 Cb -0.12 -3.29 -0.03 0.00 -1.51 0.00 0.00 37.83 32.88 2d5i s LYS 133 CO 0.17 0.05 0.03 0.00 -0.36 0.00 0.00 175.35 175.23 2d5i s ALA 134 N 1.00 3.34 -0.18 3.13 0.00 -0.21 0.77 121.76 129.61 2d5i s ALA 134 Ca 0.04 -0.77 -0.00 0.00 0.00 0.00 0.00 51.96 51.23 2d5i s ALA 134 Cb -0.14 -1.65 0.01 0.00 0.00 0.00 0.00 23.12 21.33 2d5i s ALA 134 CO 0.03 0.44 -0.16 0.42 0.00 0.00 0.00 175.76 176.50 2d5i s ILE 135 N -0.43 2.50 -0.26 0.00 -1.09 0.21 -1.55 121.20 120.58 2d5i s ILE 135 Ca 0.09 -0.80 -0.11 0.00 -2.23 0.00 0.00 60.65 57.59 2d5i s ILE 135 Cb -0.12 -2.07 -0.05 0.00 -1.58 0.00 0.00 42.46 38.64 2d5i s ILE 135 CO 0.02 0.51 0.20 -0.69 -1.23 0.00 0.00 174.94 173.75 2d5i s VAL 136 N 1.15 5.32 -0.42 2.92 1.01 0.01 -1.11 120.40 129.28 2d5i s VAL 136 Ca 0.01 0.22 -0.10 0.00 0.00 0.00 0.00 61.98 62.12 2d5i s VAL 136 Cb -0.14 -3.54 0.08 0.00 0.00 0.00 0.00 36.38 32.78 2d5i s VAL 136 CO -0.06 0.28 0.27 -0.63 0.00 0.00 0.00 175.10 174.96 2d5i s ILE 137 N 1.47 4.31 -0.21 2.22 1.01 -0.15 -0.28 121.20 129.56 2d5i s ILE 137 Ca 0.08 -1.37 -0.01 0.00 0.00 0.00 0.00 60.65 59.35 2d5i s ILE 137 Cb -0.15 -3.63 0.01 0.00 0.01 0.00 0.00 42.46 38.71 2d5i s ILE 137 CO 0.08 -0.51 -0.12 0.28 0.00 0.00 0.00 174.94 174.67 2d5i s THR 138 N 1.44 2.66 -0.08 2.92 -1.32 0.54 -1.06 115.64 120.73 2d5i s THR 138 Ca 0.03 -0.84 -0.03 0.00 -1.21 0.00 0.00 61.69 59.64 2d5i s THR 138 Cb -0.23 -2.22 -0.04 0.00 -1.51 0.00 0.00 72.50 68.50 2d5i s THR 138 CO 0.02 0.41 0.06 -0.94 -2.21 0.00 0.00 174.62 171.96 2d5i s SER 139 N 1.35 5.67 0.00 8.08 1.04 -1.25 -1.41 113.70 127.19 2d5i s SER 139 Ca 0.04 0.24 -0.05 0.00 0.48 0.00 0.00 55.95 56.66 2d5i s SER 139 Cb -0.14 -1.68 -0.00 0.00 0.10 0.00 0.00 66.02 64.29 2d5i s SER 139 CO -0.08 0.36 0.08 -0.13 0.98 0.00 0.00 173.24 174.46 2d5i s ARG 140 N -1.12 0.39 0.07 4.02 3.00 0.50 -1.81 118.95 124.00 2d5i s ARG 140 Ca 0.16 -0.41 -0.21 0.00 0.00 0.00 0.00 55.73 55.28 2d5i s ARG 140 Cb -0.12 0.16 -0.11 0.00 0.00 0.00 0.00 34.95 34.88 2d5i s ARG 140 CO 0.05 -0.08 1.53 0.78 0.00 0.00 0.00 175.30 177.58 2d5i h GLY 141 N 4.59 0.30 0.00 -3.53 0.00 -1.86 -2.53 103.07 100.03 2d5i h GLY 141 Ca -0.30 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 46.83 2d5i h GLY 141 CO 0.41 0.19 0.00 0.61 0.00 0.00 0.00 176.54 177.75 2d5i n GLY 142 N -0.42 0.56 3.13 4.60 0.00 -1.26 -0.86 105.19 110.95 2d5i n GLY 142 Ca -0.05 -1.89 -0.33 0.00 0.00 0.00 0.00 46.02 43.74 2d5i n GLY 142 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2d5i s ILE 143 N 0.40 2.56 0.00 -0.61 1.01 -1.26 -1.04 121.20 122.26 2d5i s ILE 143 Ca 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 60.65 59.26 2d5i s ILE 143 Cb 0.00 -2.43 0.00 0.00 0.01 0.00 0.00 42.46 40.04 2d5i s ILE 143 CO 0.00 0.03 0.00 1.41 0.00 0.00 0.00 174.94 176.38 2d5i n HIS 144 N 4.55 0.00 -1.71 3.97 8.25 -1.26 -5.01 115.22 124.00 2d5i n HIS 144 Ca -0.15 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.91 2d5i n HIS 144 Cb 0.44 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.56 2d5i n HIS 144 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2d5i n LYS 145 N -1.02 2.01 -1.27 -0.41 4.81 -1.26 -1.35 118.16 119.67 2d5i n LYS 145 Ca 0.00 0.71 -0.12 0.00 -0.87 0.00 0.00 58.31 58.04 2d5i n LYS 145 Cb 0.00 -2.44 -0.05 0.00 0.02 0.00 0.00 35.03 32.56 2d5i n LYS 145 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2d5i n ASP 146 N 0.13 -4.14 -4.74 3.14 8.00 -1.26 -4.94 116.55 112.74 2d5i n ASP 146 Ca 0.06 0.29 -0.31 0.00 0.71 0.00 0.00 54.79 55.54 2d5i n ASP 146 Cb 0.40 -3.46 -0.08 0.00 -0.02 0.00 0.00 41.12 37.96 2d5i n ASP 146 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2d5i s GLY 147 N -2.09 2.81 0.00 0.44 0.00 -0.46 -5.03 107.32 102.98 2d5i s GLY 147 Ca 0.00 -1.03 0.22 0.00 0.00 0.00 0.00 44.72 43.91 2d5i s GLY 147 CO 0.00 -2.14 1.69 -1.55 0.00 0.00 0.00 173.10 171.10 2d5i n PRO 148 N -1.23 0.07 -0.24 2.90 -0.04 -1.26 -2.45 135.00 132.76 2d5i n PRO 148 Ca -0.13 0.12 0.11 0.00 -0.04 0.00 0.00 63.50 63.55 2d5i n PRO 148 Cb 0.67 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.89 2d5i n PRO 148 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2d5i n THR 149 N -1.45 0.63 -3.36 0.52 -2.24 -1.26 -4.55 114.28 102.57 2d5i n THR 149 Ca 0.06 -0.73 -0.45 0.00 -2.27 0.00 0.00 64.05 60.66 2d5i n THR 149 Cb 0.23 0.61 -0.01 0.00 -2.10 0.00 0.00 70.33 69.06 2d5i n THR 149 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2d5i s ASP 150 N -1.25 7.20 0.29 3.42 -1.08 -1.02 -4.72 116.67 119.51 2d5i s ASP 150 Ca 0.39 -3.54 0.19 0.00 -0.52 0.00 0.00 52.55 49.08 2d5i s ASP 150 Cb 0.21 -2.19 0.12 0.00 -1.46 0.00 0.00 42.92 39.60 2d5i s ASP 150 CO 0.29 -0.30 1.34 -0.07 0.52 0.00 0.00 175.17 176.95 2d5i h LEU 151 N 6.71 0.00 -0.50 -1.34 -0.00 -1.83 -3.36 115.31 114.99 2d5i h LEU 151 Ca 0.17 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 58.08 2d5i h LEU 151 Cb 0.88 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.51 2d5i h LEU 151 CO 0.98 0.25 0.28 0.58 -0.00 0.00 0.00 178.44 180.54 2d5i h VAL 152 N 0.00 1.02 0.03 1.22 2.07 -1.85 -2.31 116.25 116.43 2d5i h VAL 152 Ca -0.02 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 2d5i h VAL 152 Cb 1.21 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2d5i h VAL 152 CO 0.03 0.10 -0.02 0.74 0.02 0.00 0.00 177.57 178.45 2d5i h THR 153 N 0.56 1.18 -0.39 2.57 2.02 -1.98 -0.93 112.91 115.94 2d5i h THR 153 Ca 0.21 -0.67 -0.04 0.00 0.77 0.00 0.00 66.41 66.68 2d5i h THR 153 Cb 0.06 1.63 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 2d5i h THR 153 CO -0.11 0.17 0.06 1.55 0.37 0.00 0.00 175.52 177.56 2d5i h PRO 154 N -0.33 0.59 -0.23 6.66 0.13 -1.74 -2.36 132.00 134.73 2d5i h PRO 154 Ca -0.00 -0.11 -0.04 0.00 -0.87 0.00 0.00 66.00 64.97 2d5i h PRO 154 Cb 0.31 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.34 2d5i h PRO 154 CO 0.01 0.57 -0.02 -0.92 -0.23 0.00 0.00 178.00 177.41 2d5i h TYR 155 N 0.58 0.46 -0.79 1.56 3.20 -1.33 0.14 116.97 120.78 2d5i h TYR 155 Ca 0.13 -0.09 0.04 0.00 3.14 0.00 0.00 58.73 61.95 2d5i h TYR 155 Cb 0.27 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.38 2d5i h TYR 155 CO 0.01 0.62 0.49 -0.07 -1.64 0.00 0.00 178.16 177.57 2d5i h LEU 156 N 0.17 0.80 -0.46 2.82 3.38 -1.04 0.23 115.31 121.22 2d5i h LEU 156 Ca 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2d5i h LEU 156 Cb 0.45 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2d5i h LEU 156 CO 0.02 0.54 0.28 -1.28 0.09 0.00 0.00 178.44 178.09 2d5i h SER 157 N 0.95 0.55 0.15 -0.43 0.87 -1.28 -1.28 113.55 113.08 2d5i h SER 157 Ca 0.32 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.83 2d5i h SER 157 Cb 0.06 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 2d5i h SER 157 CO -0.13 0.43 -0.07 0.74 -0.53 0.00 0.00 176.83 177.27 2d5i h THR 158 N 0.61 0.93 -0.38 2.23 2.02 -0.30 -1.86 112.91 116.15 2d5i h THR 158 Ca 0.17 -0.36 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 2d5i h THR 158 Cb -0.02 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 2d5i h THR 158 CO -0.03 0.08 0.12 0.15 0.37 0.00 0.00 175.52 176.21 2d5i h PHE 159 N -0.38 0.62 -0.55 3.16 3.57 -0.53 0.06 116.94 122.89 2d5i h PHE 159 Ca -0.02 -0.06 -0.09 0.00 3.53 0.00 0.00 57.97 61.33 2d5i h PHE 159 Cb 0.30 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 2d5i h PHE 159 CO -0.02 0.59 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.57 2d5i h LEU 160 N 0.47 0.93 -0.33 0.59 3.38 -1.28 -2.79 115.31 116.27 2d5i h LEU 160 Ca 0.12 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 2d5i h LEU 160 Cb 0.26 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2d5i h LEU 160 CO -0.00 0.99 0.09 1.23 0.09 0.00 0.00 178.44 180.84 2d5i h GLY 161 N 0.99 0.57 -0.34 0.83 0.00 -0.77 0.53 103.07 104.87 2d5i h GLY 161 Ca 0.16 -0.35 0.18 0.00 0.00 0.00 0.00 47.33 47.32 2d5i h GLY 161 CO 0.03 0.32 0.03 -2.75 0.00 0.00 0.00 176.54 174.18 2d5i h PHE 162 N 0.38 0.00 -0.18 5.60 3.57 -0.72 0.66 116.94 126.25 2d5i h PHE 162 Ca 0.11 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.66 2d5i h PHE 162 Cb 0.28 0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.14 2d5i h PHE 162 CO 0.01 -0.23 0.00 0.44 -2.23 0.00 0.00 178.31 176.31 2d5i n ILE 163 N -5.32 0.23 0.00 1.41 -5.35 -1.11 -3.60 119.36 105.61 2d5i n ILE 163 Ca 0.14 -0.30 0.00 0.00 -0.27 0.00 0.00 62.75 62.32 2d5i n ILE 163 Cb 0.49 0.21 0.00 0.00 -1.74 0.00 0.00 39.64 38.59 2d5i n ILE 163 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2d5i n GLY 164 N 1.01 0.74 3.37 3.28 0.00 0.22 0.24 105.19 114.06 2d5i n GLY 164 Ca 0.13 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.70 2d5i n GLY 164 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2d5i s ILE 165 N -2.00 5.12 -0.53 -0.61 1.01 0.18 -4.54 121.20 119.83 2d5i s ILE 165 Ca 0.00 -1.69 0.13 0.00 0.00 0.00 0.00 60.65 59.09 2d5i s ILE 165 Cb 0.00 -4.53 -0.16 0.00 0.01 0.00 0.00 42.46 37.79 2d5i s ILE 165 CO 0.00 -1.14 0.52 0.35 0.00 0.00 0.00 174.94 174.67 2d5i n THR 166 N 4.95 0.00 -3.23 2.92 -2.24 -1.26 -2.09 114.28 113.32 2d5i n THR 166 Ca 0.05 -0.21 -0.46 0.00 -2.27 0.00 0.00 64.05 61.17 2d5i n THR 166 Cb 0.45 0.87 -0.04 0.00 -2.10 0.00 0.00 70.33 69.51 2d5i n THR 166 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2d5i s ASP 167 N -2.47 6.42 -0.07 3.42 -1.08 -1.26 -5.01 116.67 116.63 2d5i s ASP 167 Ca 0.03 -2.04 0.02 0.00 -0.52 0.00 0.00 52.55 50.05 2d5i s ASP 167 Cb 0.10 -2.25 0.01 0.00 -1.46 0.00 0.00 42.92 39.32 2d5i s ASP 167 CO 0.55 -0.84 -0.11 -0.69 0.52 0.00 0.00 175.17 174.60 2d5i s VAL 168 N 1.47 1.09 -0.13 1.11 1.01 -1.26 -1.04 120.40 122.64 2d5i s VAL 168 Ca 0.13 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.67 2d5i s VAL 168 Cb -0.20 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.17 2d5i s VAL 168 CO -0.01 0.35 -0.15 -0.54 0.00 0.00 0.00 175.10 174.74 2d5i s LYS 169 N 0.73 3.29 -0.13 2.72 1.02 -0.60 -5.01 119.74 121.76 2d5i s LYS 169 Ca -0.13 -0.73 -0.13 0.00 0.02 0.00 0.00 55.97 54.99 2d5i s LYS 169 Cb -0.16 -2.59 -0.05 0.00 -0.52 0.00 0.00 37.83 34.52 2d5i s LYS 169 CO 0.03 0.14 0.30 -0.06 -0.92 0.00 0.00 175.35 174.84 2d5i s PHE 170 N 0.50 3.51 -0.10 3.18 0.40 -1.26 -0.81 117.98 123.41 2d5i s PHE 170 Ca -0.10 0.65 0.02 0.00 -0.60 0.00 0.00 56.93 56.90 2d5i s PHE 170 Cb -0.16 -2.29 -0.01 0.00 0.51 0.00 0.00 43.02 41.06 2d5i s PHE 170 CO 0.04 0.35 -0.17 0.08 0.70 0.00 0.00 175.22 176.22 2d5i s VAL 171 N 0.09 2.71 -0.09 -0.44 1.01 0.62 -4.96 120.40 119.34 2d5i s VAL 171 Ca 0.17 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.38 2d5i s VAL 171 Cb -0.13 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 2d5i s VAL 171 CO 0.05 0.55 -0.18 -0.36 0.00 0.00 0.00 175.10 175.16 2d5i s PHE 172 N 0.07 2.65 -0.40 5.22 0.40 -1.26 -0.34 117.98 124.32 2d5i s PHE 172 Ca -0.07 -0.63 0.01 0.00 -0.60 0.00 0.00 56.93 55.64 2d5i s PHE 172 Cb -0.15 -1.71 0.13 0.00 0.51 0.00 0.00 43.02 41.80 2d5i s PHE 172 CO 0.05 -0.16 0.20 0.00 0.70 0.00 0.00 175.22 176.01 2d5i s ALA 173 N -0.01 1.82 0.43 5.36 0.00 -0.50 -4.36 121.76 124.50 2d5i s ALA 173 Ca -0.06 -2.28 0.07 0.00 0.00 0.00 0.00 51.96 49.69 2d5i s ALA 173 Cb -0.15 -1.79 -0.04 0.00 0.00 0.00 0.00 23.12 21.15 2d5i s ALA 173 CO 0.05 -1.99 0.19 -1.21 0.00 0.00 0.00 175.76 172.80 2d5i s GLU 174 N 0.74 2.23 -0.81 0.00 2.02 -1.26 -0.37 118.70 121.25 2d5i s GLU 174 Ca 0.16 -1.90 0.00 0.00 0.02 0.00 0.00 54.97 53.25 2d5i s GLU 174 Cb -0.23 -1.97 0.00 0.00 0.10 0.00 0.00 34.13 32.04 2d5i s GLU 174 CO -0.05 -0.18 0.00 0.41 0.02 0.00 0.00 175.26 175.46 2d5i n GLY 175 N -1.29 0.94 0.37 -1.39 0.00 -0.20 -4.68 105.19 98.93 2d5i n GLY 175 Ca -0.02 -0.44 0.03 0.00 0.00 0.00 0.00 46.02 45.59 2d5i n GLY 175 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2d5i h ILE 176 N 0.00 1.08 0.00 -0.61 1.08 -1.02 -2.12 117.51 115.92 2d5i h ILE 176 Ca -0.16 -0.40 0.00 0.00 -0.39 0.00 0.00 64.86 63.92 2d5i h ILE 176 Cb 0.61 -0.17 0.00 0.00 -3.07 0.00 0.00 36.82 34.19 2d5i h ILE 176 CO 0.23 0.21 0.00 0.00 -0.69 0.00 0.00 178.15 177.90 2d5i n ALA 177 N -2.37 1.63 1.49 1.87 0.00 -0.04 -2.62 120.51 120.47 2d5i n ALA 177 Ca 0.15 -0.05 0.15 0.00 0.00 0.00 0.00 53.44 53.69 2d5i n ALA 177 Cb 0.19 -1.21 0.78 0.00 0.00 0.00 0.00 19.45 19.21 2d5i n ALA 177 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2d5i n TYR 178 N -1.45 0.00 0.00 0.00 4.01 -0.80 -5.01 117.16 113.91 2d5i n TYR 178 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 2d5i n TYR 178 Cb 0.14 -0.25 0.00 0.00 -0.31 0.00 0.00 39.34 38.93 2d5i n TYR 178 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2d5i n GLY 179 N 1.22 1.54 0.27 2.72 0.00 -1.08 -4.73 105.19 105.13 2d5i n GLY 179 Ca 0.15 -2.22 0.10 0.00 0.00 0.00 0.00 46.02 44.06 2d5i n GLY 179 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d5i h PRO 180 N 0.00 0.00 -0.01 1.61 0.13 -1.95 0.59 132.00 132.37 2d5i h PRO 180 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 2d5i h PRO 180 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2d5i h PRO 180 CO 0.00 0.03 -0.04 0.93 -0.23 0.00 0.00 178.00 178.69 2d5i h GLU 181 N 0.00 0.04 -0.39 0.86 5.08 -1.96 0.01 114.58 118.22 2d5i h GLU 181 Ca -0.00 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 2d5i h GLU 181 Cb 0.05 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2d5i h GLU 181 CO 0.00 0.67 0.00 0.52 -1.00 0.00 0.00 179.01 179.21 2d5i h MET 182 N -0.58 0.62 -0.53 2.33 2.86 -1.73 -1.04 114.93 116.86 2d5i h MET 182 Ca -0.00 -0.15 -0.04 0.00 -2.06 0.00 0.00 59.70 57.46 2d5i h MET 182 Cb 0.68 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 2d5i h MET 182 CO 0.01 0.64 0.19 0.00 1.06 0.00 0.00 176.91 178.81 2d5i h ALA 183 N 1.41 0.69 -0.63 6.32 0.00 -0.82 -0.44 119.26 125.80 2d5i h ALA 183 Ca 0.12 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 2d5i h ALA 183 Cb 0.37 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2d5i h ALA 183 CO 0.01 0.33 0.04 0.00 0.00 0.00 0.00 179.25 179.63 2d5i h ALA 184 N 1.04 0.88 -0.58 0.00 0.00 -0.49 -1.38 119.26 118.73 2d5i h ALA 184 Ca 0.17 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2d5i h ALA 184 Cb 0.24 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2d5i h ALA 184 CO -0.01 0.67 0.33 -0.22 0.00 0.00 0.00 179.25 180.02 2d5i h LYS 185 N 1.00 0.80 -0.64 0.00 3.64 -0.90 -1.17 116.57 119.29 2d5i h LYS 185 Ca 0.18 -0.09 0.07 0.00 -1.27 0.00 0.00 60.65 59.54 2d5i h LYS 185 Cb 0.51 -0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 32.11 2d5i h LYS 185 CO 0.02 0.60 0.33 0.00 -2.27 0.00 0.00 179.45 178.14 2d5i h ALA 186 N 1.16 0.86 -0.16 5.00 0.00 -0.76 0.87 119.26 126.22 2d5i h ALA 186 Ca 0.21 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2d5i h ALA 186 Cb 0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2d5i h ALA 186 CO -0.04 -0.02 0.05 1.96 0.00 0.00 0.00 179.25 181.21 2d5i h GLN 187 N 0.61 0.24 -0.31 0.00 1.08 -1.03 -0.82 115.11 114.88 2d5i h GLN 187 Ca 0.30 -0.05 0.01 0.00 -1.45 0.00 0.00 58.65 57.45 2d5i h GLN 187 Cb 0.23 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 2d5i h GLN 187 CO -0.20 0.36 0.20 1.03 -0.95 0.00 0.00 178.83 179.26 2d5i h SER 188 N 0.08 0.33 -0.83 1.46 0.87 -0.98 0.20 113.55 114.69 2d5i h SER 188 Ca 0.05 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 2d5i h SER 188 Cb 0.21 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.06 2d5i h SER 188 CO -0.00 0.24 0.43 0.44 -0.53 0.00 0.00 176.83 177.41 2d5i h ASP 189 N 0.40 1.05 -0.17 6.23 3.32 -0.62 -1.84 116.42 124.80 2d5i h ASP 189 Ca 0.11 -0.11 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 2d5i h ASP 189 Cb -0.03 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.25 2d5i h ASP 189 CO -0.03 0.87 -0.34 0.00 -1.72 0.00 0.00 179.24 178.01 2d5i h ALA 190 N 1.23 0.27 -0.96 3.45 0.00 -1.00 -2.58 119.26 119.67 2d5i h ALA 190 Ca 0.29 -0.43 0.08 0.00 0.00 0.00 0.00 54.91 54.85 2d5i h ALA 190 Cb 0.07 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.75 2d5i h ALA 190 CO -0.04 0.32 0.62 0.87 0.00 0.00 0.00 179.25 181.02 2d5i h LYS 191 N 0.17 1.03 -0.77 0.00 1.57 -0.46 -0.70 116.57 117.41 2d5i h LYS 191 Ca 0.01 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 2d5i h LYS 191 Cb 0.94 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 32.98 2d5i h LYS 191 CO 0.08 0.68 0.37 0.00 -0.57 0.00 0.00 179.45 180.00 2d5i h ALA 192 N 1.50 0.99 -0.84 3.86 0.00 -1.09 -0.25 119.26 123.44 2d5i h ALA 192 Ca 0.43 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.19 2d5i h ALA 192 Cb 0.26 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2d5i h ALA 192 CO -0.18 0.55 0.55 0.00 0.00 0.00 0.00 179.25 180.18 2d5i h ALA 193 N 1.19 1.06 -0.38 0.00 0.00 -1.07 -1.72 119.26 118.34 2d5i h ALA 193 Ca 0.26 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 2d5i h ALA 193 Cb 0.12 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2d5i h ALA 193 CO -0.03 0.48 -0.07 0.82 0.00 0.00 0.00 179.25 180.44 2d5i h ILE 194 N 1.14 1.27 -0.75 0.00 2.04 -0.69 -2.51 117.51 118.01 2d5i h ILE 194 Ca 0.31 -1.14 0.09 0.00 1.00 0.00 0.00 64.86 65.11 2d5i h ILE 194 Cb -0.13 1.24 -0.07 0.00 -0.74 0.00 0.00 36.82 37.12 2d5i h ILE 194 CO -0.07 0.38 0.41 0.44 0.00 0.00 0.00 178.15 179.31 2d5i h ASP 195 N 0.52 0.58 1.34 1.72 3.32 -0.66 -0.65 116.42 122.60 2d5i h ASP 195 Ca 0.10 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2d5i h ASP 195 Cb 0.58 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.07 2d5i h ASP 195 CO 0.03 0.34 0.00 0.77 -1.72 0.00 0.00 179.24 178.67 2d5i h SER 196 N 0.71 0.00 -0.12 6.45 4.64 -1.03 -1.58 113.55 122.62 2d5i h SER 196 Ca 0.36 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.47 2d5i h SER 196 Cb 0.32 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.42 2d5i h SER 196 CO -0.24 0.00 -0.76 0.40 -0.87 0.00 0.00 176.83 175.36 2d5i h ILE 197 N 0.00 1.30 -0.15 0.95 2.04 -0.82 -2.49 117.51 118.34 2d5i h ILE 197 Ca 0.00 -1.99 -0.10 0.00 1.00 0.00 0.00 64.86 63.77 2d5i h ILE 197 Cb 0.67 2.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.85 2d5i h ILE 197 CO 0.00 0.62 -0.30 0.58 0.00 0.00 0.00 178.15 179.05 2d5i h VAL 198 N 0.42 1.36 0.00 1.67 2.07 -1.06 -3.08 116.25 117.63 2d5i h VAL 198 Ca -0.06 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 65.90 2d5i h VAL 198 Cb 1.40 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 33.16 2d5i h VAL 198 CO 0.16 0.47 0.00 -1.54 0.02 0.00 0.00 177.57 176.67 2d5i n SER 199 N -4.38 0.12 0.00 0.57 3.41 -0.61 -5.07 113.62 107.67 2d5i n SER 199 Ca -0.07 0.51 0.15 0.00 -0.26 0.00 0.00 58.87 59.21 2d5i n SER 199 Cb 0.48 -0.55 0.87 0.00 -0.26 0.00 0.00 64.21 64.75 2d5i n SER 199 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88