#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2opi s THR 3 N 0.00 3.54 -0.16 1.39 -4.23 -1.26 -4.99 115.64 109.93 2opi s THR 3 Ca 0.00 -1.06 0.23 0.00 -1.18 0.00 0.00 61.69 59.68 2opi s THR 3 Cb 0.00 -3.21 0.23 0.00 1.34 0.00 0.00 72.50 70.86 2opi s THR 3 CO 0.00 -0.09 1.71 0.44 -0.54 0.00 0.00 174.62 176.14 2opi h ASP 4 N 0.85 0.00 -0.63 3.99 3.32 -2.06 -1.84 116.42 120.06 2opi h ASP 4 Ca -0.43 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.59 2opi h ASP 4 Cb 1.27 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.79 2opi h ASP 4 CO 0.51 0.00 0.29 -0.08 -1.72 0.00 0.00 179.24 178.24 2opi h GLU 5 N 0.00 0.91 -0.29 3.56 4.81 -1.99 -0.97 114.58 120.61 2opi h GLU 5 Ca 0.00 -0.14 -0.17 0.00 -0.13 0.00 0.00 59.36 58.92 2opi h GLU 5 Cb 0.03 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.25 2opi h GLU 5 CO 0.00 0.74 -0.48 0.45 -0.73 0.00 0.00 179.01 178.99 2opi h HIS 6 N 0.86 1.04 -0.13 0.92 3.86 -1.73 -2.85 115.15 117.12 2opi h HIS 6 Ca 0.21 -0.36 -0.07 0.00 -1.16 0.00 0.00 60.37 58.99 2opi h HIS 6 Cb 0.14 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 2opi h HIS 6 CO 0.00 1.17 -0.25 0.82 0.86 0.00 0.00 177.93 180.54 2opi h ILE 7 N 0.60 1.23 -0.21 2.45 2.04 -1.53 -0.74 117.51 121.37 2opi h ILE 7 Ca 0.02 -1.09 -0.17 0.00 1.00 0.00 0.00 64.86 64.62 2opi h ILE 7 Cb 1.09 1.41 -0.00 0.00 -0.74 0.00 0.00 36.82 38.57 2opi h ILE 7 CO 0.11 0.33 -0.57 -0.33 0.00 0.00 0.00 178.15 177.69 2opi h GLU 8 N 0.21 0.64 -0.09 2.37 4.39 -1.15 -1.96 114.58 118.99 2opi h GLU 8 Ca 0.04 -0.41 -0.21 0.00 0.34 0.00 0.00 59.36 59.11 2opi h GLU 8 Cb 0.56 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2opi h GLU 8 CO 0.04 1.03 -0.78 1.25 -1.16 0.00 0.00 179.01 179.39 2opi h LEU 9 N 0.49 0.67 -0.49 1.33 6.46 -1.24 -2.39 115.31 120.13 2opi h LEU 9 Ca 0.01 -0.45 0.03 0.00 -0.12 0.00 0.00 57.88 57.34 2opi h LEU 9 Cb 1.13 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 40.83 2opi h LEU 9 CO 0.11 1.22 0.28 0.15 -0.62 0.00 0.00 178.44 179.59 2opi h PHE 10 N 0.37 0.53 0.21 1.25 3.57 -1.14 -2.36 116.94 119.36 2opi h PHE 10 Ca -0.05 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 2opi h PHE 10 Cb 1.39 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.95 2opi h PHE 10 CO 0.06 0.29 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.20 2opi h LEU 11 N 0.56 -0.43 -1.54 0.59 3.38 -1.19 -1.61 115.31 115.07 2opi h LEU 11 Ca 0.20 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.23 2opi h LEU 11 Cb 0.04 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2opi h LEU 11 CO -0.10 -0.26 0.34 0.00 0.09 0.00 0.00 178.44 178.51 2opi h ALA 12 N 0.37 1.73 -0.48 1.53 0.00 -1.39 -1.17 119.26 119.85 2opi h ALA 12 Ca -0.01 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 2opi h ALA 12 Cb 0.35 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2opi h ALA 12 CO -0.01 0.22 -0.15 1.96 0.00 0.00 0.00 179.25 181.26 2opi h GLN 13 N 0.60 0.95 -0.72 0.00 1.08 -1.18 -0.15 115.11 115.68 2opi h GLN 13 Ca 0.20 -0.38 -0.01 0.00 -1.45 0.00 0.00 58.65 57.01 2opi h GLN 13 Cb 0.07 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.42 2opi h GLN 13 CO -0.05 1.05 0.40 0.00 -0.95 0.00 0.00 178.83 179.27 2opi h ALA 14 N 0.88 0.93 -0.56 3.87 0.00 -0.36 -1.29 119.26 122.73 2opi h ALA 14 Ca 0.12 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2opi h ALA 14 Cb 0.71 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2opi h ALA 14 CO 0.05 0.44 0.03 0.45 0.00 0.00 0.00 179.25 180.22 2opi h HIS 15 N 1.00 1.05 -0.36 0.00 3.86 -1.08 -2.52 115.15 117.10 2opi h HIS 15 Ca 0.26 -0.17 0.03 0.00 -1.16 0.00 0.00 60.37 59.32 2opi h HIS 15 Cb 0.03 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.19 2opi h HIS 15 CO -0.00 0.94 0.17 -0.09 0.86 0.00 0.00 177.93 179.81 2opi h ARG 16 N 0.85 0.35 -0.23 2.45 2.43 -0.57 0.34 114.38 120.01 2opi h ARG 16 Ca 0.16 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 2opi h ARG 16 Cb 0.51 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 2opi h ARG 16 CO 0.02 0.23 0.15 1.88 -1.51 0.00 0.00 179.97 180.75 2opi h TYR 17 N 0.36 0.27 -0.07 2.20 0.99 -1.18 -1.47 116.97 118.08 2opi h TYR 17 Ca 0.15 0.01 -0.21 0.00 2.00 0.00 0.00 58.73 60.68 2opi h TYR 17 Cb 0.07 -0.09 0.00 0.00 1.00 0.00 0.00 36.73 37.71 2opi h TYR 17 CO -0.10 0.17 -0.82 0.78 -0.00 0.00 0.00 178.16 178.18 2opi h GLY 18 N 0.29 0.57 2.00 3.88 0.00 -0.63 -1.97 103.07 107.21 2opi h GLY 18 Ca 0.09 -0.87 -0.07 0.00 0.00 0.00 0.00 47.33 46.47 2opi h GLY 18 CO -0.02 0.78 -0.35 -0.55 0.00 0.00 0.00 176.54 176.40 2opi h ASP 19 N 0.33 0.00 0.78 0.19 3.32 0.02 -2.26 116.42 118.80 2opi h ASP 19 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 2opi h ASP 19 Cb 1.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.98 2opi h ASP 19 CO 0.15 0.35 -0.07 0.00 -1.72 0.00 0.00 179.24 177.96 2opi n ALA 20 N -2.34 2.54 -2.01 3.45 0.00 -0.59 -4.93 120.51 116.63 2opi n ALA 20 Ca -0.01 -0.15 -0.11 0.00 0.00 0.00 0.00 53.44 53.16 2opi n ALA 20 Cb 0.45 -1.42 -0.02 0.00 0.00 0.00 0.00 19.45 18.46 2opi n ALA 20 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2opi n LYS 21 N -1.39 -0.87 0.00 0.00 4.76 -0.85 -5.08 118.16 114.72 2opi n LYS 21 Ca 0.09 0.63 0.02 0.00 -2.87 0.00 0.00 58.31 56.18 2opi n LYS 21 Cb 0.31 -4.72 0.13 0.00 -1.84 0.00 0.00 35.03 28.92 2opi n LYS 21 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2opi n LEU 22 N -1.54 0.00 -3.79 -0.35 4.77 -0.76 -4.56 117.00 110.77 2opi n LEU 22 Ca -0.13 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.72 2opi n LEU 22 Cb 0.55 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.50 2opi n LEU 22 CO 0.16 0.00 -0.24 -0.76 -1.33 0.00 0.00 177.39 175.22 2opi s LEU 24 N -1.60 1.18 0.00 2.23 1.43 -1.26 -0.06 118.68 120.60 2opi s LEU 24 Ca 0.07 0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 2opi s LEU 24 Cb 0.03 0.36 0.00 0.00 0.03 0.00 0.00 46.19 46.61 2opi s LEU 24 CO 0.05 -0.09 0.00 0.00 0.23 0.00 0.00 176.35 176.54 2opi n SER 26 N 7.75 4.35 -4.93 0.00 3.41 -1.26 -3.38 113.62 119.57 2opi n SER 26 Ca 0.00 -2.40 -0.27 0.00 -0.26 0.00 0.00 58.87 55.94 2opi n SER 26 Cb 0.00 -0.52 -0.03 0.00 -0.26 0.00 0.00 64.21 63.40 2opi n SER 26 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2opi s SER 27 N -1.04 6.39 0.00 4.04 1.04 -1.16 -4.76 113.70 118.20 2opi s SER 27 Ca 0.46 0.42 0.00 0.00 0.48 0.00 0.00 55.95 57.32 2opi s SER 27 Cb 0.29 -2.02 0.00 0.00 0.10 0.00 0.00 66.02 64.40 2opi s SER 27 CO 0.23 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.99 2opi n GLY 28 N -0.76 -1.44 3.51 7.32 0.00 -1.26 -4.61 105.19 107.95 2opi n GLY 28 Ca -0.05 -1.58 -0.09 0.00 0.00 0.00 0.00 46.02 44.31 2opi n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2opi s ASN 29 N -4.01 -0.38 0.02 1.61 4.22 -0.44 -4.83 114.94 111.12 2opi s ASN 29 Ca 0.00 0.08 0.03 0.00 -2.14 0.00 0.00 52.86 50.83 2opi s ASN 29 Cb 0.00 0.38 -0.01 0.00 1.28 0.00 0.00 41.25 42.90 2opi s ASN 29 CO 0.00 -0.58 -0.08 -0.22 -2.04 0.00 0.00 177.10 174.18 2opi s LEU 30 N -2.23 2.11 0.05 3.54 2.96 -1.26 -1.49 118.68 122.35 2opi s LEU 30 Ca 0.03 -0.29 -0.00 0.00 -0.22 0.00 0.00 54.13 53.65 2opi s LEU 30 Cb -0.01 -0.34 -0.04 0.00 0.50 0.00 0.00 46.19 46.31 2opi s LEU 30 CO -0.07 -0.00 -0.04 -0.94 -1.32 0.00 0.00 176.35 173.98 2opi s SER 31 N -0.71 0.52 -0.13 3.68 1.04 -0.83 -1.25 113.70 116.02 2opi s SER 31 Ca -0.01 -0.88 -0.05 0.00 0.48 0.00 0.00 55.95 55.49 2opi s SER 31 Cb -0.05 0.16 0.07 0.00 0.10 0.00 0.00 66.02 66.29 2opi s SER 31 CO 0.00 -0.51 0.28 0.86 0.98 0.00 0.00 173.24 174.85 2opi s TRP 32 N -3.28 -0.45 -0.14 5.02 -0.00 0.45 -2.37 118.94 118.18 2opi s TRP 32 Ca 0.02 1.01 -0.29 0.00 -0.00 0.00 0.00 56.10 56.84 2opi s TRP 32 Cb 0.03 -0.00 -0.01 0.00 -0.00 0.00 0.00 33.47 33.49 2opi s TRP 32 CO -0.07 -0.36 1.09 0.50 -0.00 0.00 0.00 176.95 178.11 2opi s ARG 33 N 2.38 4.34 -0.28 5.86 3.52 0.21 -0.46 118.95 134.51 2opi s ARG 33 Ca 0.00 1.48 0.02 0.00 -0.13 0.00 0.00 55.73 57.10 2opi s ARG 33 Cb -0.12 -3.60 0.08 0.00 -1.56 0.00 0.00 34.95 29.74 2opi s ARG 33 CO -0.09 -0.49 -0.01 0.42 -0.81 0.00 0.00 175.30 174.32 2opi s ILE 34 N 2.60 1.73 0.00 4.11 1.09 0.07 -4.97 121.20 125.82 2opi s ILE 34 Ca 0.50 -1.62 0.00 0.00 -1.10 0.00 0.00 60.65 58.43 2opi s ILE 34 Cb -0.19 -2.09 0.00 0.00 -1.06 0.00 0.00 42.46 39.12 2opi s ILE 34 CO 0.15 -0.32 0.00 0.61 -0.10 0.00 0.00 174.94 175.28 2opi n GLY 35 N 4.55 3.80 0.34 6.18 0.00 -1.26 -2.23 105.19 116.57 2opi n GLY 35 Ca -0.06 0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.18 2opi n GLY 35 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2opi n GLU 36 N 12.15 1.01 -4.48 1.61 2.13 -1.26 -4.93 120.64 126.87 2opi n GLU 36 Ca 0.00 -0.69 -0.23 0.00 0.66 0.00 0.00 57.16 56.90 2opi n GLU 36 Cb 0.00 -1.49 -0.11 0.00 0.27 0.00 0.00 31.44 30.12 2opi n GLU 36 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2opi s GLU 37 N -2.46 1.69 0.05 5.31 2.02 -0.94 -2.19 118.70 122.18 2opi s GLU 37 Ca 0.23 -1.91 0.04 0.00 0.02 0.00 0.00 54.97 53.35 2opi s GLU 37 Cb 0.19 -1.18 -0.02 0.00 0.10 0.00 0.00 34.13 33.22 2opi s GLU 37 CO 0.52 -0.06 -0.12 0.00 0.02 0.00 0.00 175.26 175.62 2opi s ALA 38 N -3.04 0.97 -0.17 5.21 0.00 -0.39 -0.75 121.76 123.59 2opi s ALA 38 Ca 0.33 -0.83 -0.16 0.00 0.00 0.00 0.00 51.96 51.30 2opi s ALA 38 Cb 0.07 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 2opi s ALA 38 CO 0.15 0.13 0.38 -0.51 0.00 0.00 0.00 175.76 175.91 2opi s LEU 39 N -1.40 4.21 -0.01 0.00 1.43 0.39 -2.16 118.68 121.13 2opi s LEU 39 Ca -0.03 0.57 0.04 0.00 -1.03 0.00 0.00 54.13 53.68 2opi s LEU 39 Cb -0.09 -2.50 -0.01 0.00 0.03 0.00 0.00 46.19 43.62 2opi s LEU 39 CO 0.01 -0.00 -0.14 -0.63 0.23 0.00 0.00 176.35 175.82 2opi s ILE 40 N 0.90 1.11 0.37 -0.59 1.09 -0.19 -0.41 121.20 123.48 2opi s ILE 40 Ca 0.19 -0.59 -0.28 0.00 -1.10 0.00 0.00 60.65 58.87 2opi s ILE 40 Cb -0.14 -0.93 -0.11 0.00 -1.06 0.00 0.00 42.46 40.22 2opi s ILE 40 CO 0.07 0.31 1.50 -0.94 -0.10 0.00 0.00 174.94 175.78 2opi s SER 41 N -0.28 6.33 0.58 3.58 1.04 -0.38 -0.40 113.70 124.16 2opi s SER 41 Ca 0.04 3.06 -0.17 0.00 0.48 0.00 0.00 55.95 59.36 2opi s SER 41 Cb -0.06 -2.67 -0.04 0.00 0.10 0.00 0.00 66.02 63.35 2opi s SER 41 CO -0.00 -0.89 1.06 -0.83 0.98 0.00 0.00 173.24 173.56 2opi s GLY 42 N -0.09 2.20 0.34 7.32 0.00 0.35 -1.83 107.32 115.61 2opi s GLY 42 Ca 0.54 0.45 -0.29 0.00 0.00 0.00 0.00 44.72 45.41 2opi s GLY 42 CO 0.62 0.77 1.50 -0.37 0.00 0.00 0.00 173.10 175.62 2opi n THR 43 N -1.84 1.65 -1.11 0.90 5.66 -1.06 -2.59 114.28 115.89 2opi n THR 43 Ca 0.09 -0.41 -0.04 0.00 -3.05 0.00 0.00 64.05 60.64 2opi n THR 43 Cb 0.53 -1.91 -0.02 0.00 -1.55 0.00 0.00 70.33 67.38 2opi n THR 43 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2opi n GLY 44 N 1.09 0.57 3.94 1.09 0.00 -1.26 -4.96 105.19 105.66 2opi n GLY 44 Ca 0.04 -0.18 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 2opi n GLY 44 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2opi s SER 45 N -2.30 6.35 -0.44 1.61 1.04 -1.07 -4.98 113.70 113.91 2opi s SER 45 Ca 0.00 0.32 -0.19 0.00 0.48 0.00 0.00 55.95 56.56 2opi s SER 45 Cb 0.00 -1.97 0.03 0.00 0.10 0.00 0.00 66.02 64.18 2opi s SER 45 CO 0.00 -0.07 0.58 0.26 0.98 0.00 0.00 173.24 174.98 2opi s TRP 46 N -1.94 3.09 0.21 5.02 0.52 -1.26 -4.55 118.94 120.03 2opi s TRP 46 Ca 0.37 -0.23 -0.08 0.00 0.02 0.00 0.00 56.10 56.19 2opi s TRP 46 Cb -0.10 -3.24 0.16 0.00 -1.15 0.00 0.00 33.47 29.13 2opi s TRP 46 CO 0.30 -0.85 1.78 0.28 0.02 0.00 0.00 176.95 178.48 2opi h VAL 47 N 5.83 1.26 -1.00 4.03 2.07 -1.85 -1.65 116.25 124.95 2opi h VAL 47 Ca -0.26 -0.83 0.16 0.00 0.82 0.00 0.00 66.70 66.59 2opi h VAL 47 Cb 1.10 0.31 -0.10 0.00 -1.52 0.00 0.00 31.29 31.08 2opi h VAL 47 CO 0.87 0.34 0.61 -0.65 0.02 0.00 0.00 177.57 178.76 2opi h PRO 48 N 1.16 0.81 -0.64 1.57 0.11 -1.78 -2.94 132.00 130.30 2opi h PRO 48 Ca 0.27 -0.05 -0.46 0.00 0.11 0.00 0.00 66.00 65.87 2opi h PRO 48 Cb 0.22 -0.18 -0.33 0.00 0.11 0.00 0.00 31.00 30.82 2opi h PRO 48 CO -0.02 0.54 -0.52 0.25 -0.21 0.00 0.00 178.00 178.03 2opi n THR 49 N -4.72 2.61 -1.63 -1.15 -2.24 -1.12 -4.09 114.28 101.94 2opi n THR 49 Ca 0.22 -3.81 -0.45 0.00 -2.27 0.00 0.00 64.05 57.73 2opi n THR 49 Cb 0.49 -0.94 -0.04 0.00 -2.10 0.00 0.00 70.33 67.74 2opi n THR 49 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2opi n LEU 50 N -0.83 3.53 0.00 3.22 7.94 -0.63 -4.89 117.00 125.34 2opi n LEU 50 Ca 0.42 0.68 0.00 0.00 -1.11 0.00 0.00 56.01 56.00 2opi n LEU 50 Cb 0.90 -1.47 0.00 0.00 0.53 0.00 0.00 43.42 43.39 2opi n LEU 50 CO 0.36 -0.20 0.00 0.00 -1.11 0.00 0.00 177.39 176.44 2opi n ALA 51 N 8.67 0.00 0.00 1.96 0.00 -1.26 -4.92 120.51 124.96 2opi n ALA 51 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2opi n ALA 51 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 2opi n ALA 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2opi n LYS 52 N 4.71 0.00 0.17 0.00 3.00 -1.26 -4.76 118.16 120.02 2opi n LYS 52 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.36 2opi n LYS 52 Cb 0.00 0.00 0.18 0.00 0.00 0.00 0.00 35.03 35.21 2opi n LYS 52 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2opi h GLU 53 N 0.00 0.00 -1.03 1.64 3.07 -2.02 -3.31 114.58 112.93 2opi h GLU 53 Ca 0.00 0.00 -0.60 0.00 -0.50 0.00 0.00 59.36 58.26 2opi h GLU 53 Cb 0.00 0.00 -0.39 0.00 -0.84 0.00 0.00 28.75 27.52 2opi h GLU 53 CO 0.00 0.40 -0.29 1.63 -1.40 0.00 0.00 179.01 179.35 2opi n LYS 54 N -3.31 3.32 -3.70 2.33 5.02 -1.26 -4.93 118.16 115.63 2opi n LYS 54 Ca 0.01 -3.99 -0.37 0.00 -2.02 0.00 0.00 58.31 51.95 2opi n LYS 54 Cb 0.62 -2.28 -0.12 0.00 -0.02 0.00 0.00 35.03 33.23 2opi n LYS 54 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2opi s VAL 55 N -4.85 4.67 0.02 -0.18 1.01 -1.25 -0.50 120.40 119.33 2opi s VAL 55 Ca 0.54 -0.05 -0.05 0.00 0.00 0.00 0.00 61.98 62.42 2opi s VAL 55 Cb 0.43 -3.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.57 2opi s VAL 55 CO -0.04 0.31 0.25 -0.55 0.00 0.00 0.00 175.10 175.06 2opi s SER 56 N 1.65 6.44 -0.13 3.32 0.15 0.46 -4.85 113.70 120.74 2opi s SER 56 Ca 0.07 0.47 0.03 0.00 0.70 0.00 0.00 55.95 57.21 2opi s SER 56 Cb -0.15 -2.05 0.00 0.00 -1.71 0.00 0.00 66.02 62.11 2opi s SER 56 CO 0.06 0.23 -0.21 -0.63 1.20 0.00 0.00 173.24 173.89 2opi s ILE 57 N -1.36 2.22 0.16 6.45 1.01 -1.26 -1.02 121.20 127.39 2opi s ILE 57 Ca 0.30 -0.94 0.07 0.00 0.00 0.00 0.00 60.65 60.07 2opi s ILE 57 Cb -0.13 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 2opi s ILE 57 CO 0.19 0.55 -0.15 0.00 0.00 0.00 0.00 174.94 175.52 2opi s ASN 59 N -2.78 6.90 0.24 0.00 3.84 -1.12 -1.26 114.94 120.75 2opi s ASN 59 Ca 0.15 1.11 -0.04 0.00 0.21 0.00 0.00 52.86 54.29 2opi s ASN 59 Cb -0.04 -2.44 0.44 0.00 -0.55 0.00 0.00 41.25 38.66 2opi s ASN 59 CO 0.05 -0.45 1.76 0.40 -2.79 0.00 0.00 177.10 176.07 2opi h ILE 60 N 5.30 0.75 0.00 -5.21 1.08 -1.76 -1.35 117.51 116.32 2opi h ILE 60 Ca -0.26 -0.19 -0.00 0.00 -0.39 0.00 0.00 64.86 64.01 2opi h ILE 60 Cb 1.11 0.14 0.00 0.00 -3.07 0.00 0.00 36.82 35.00 2opi h ILE 60 CO 0.85 0.10 -0.00 0.00 -0.69 0.00 0.00 178.15 178.41 2opi h ALA 61 N 1.51 -0.01 -2.85 1.87 0.00 -1.94 -3.36 119.26 114.48 2opi h ALA 61 Ca 0.41 -0.29 -0.63 0.00 0.00 0.00 0.00 54.91 54.40 2opi h ALA 61 Cb 0.54 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.92 2opi h ALA 61 CO -0.34 -0.21 -0.50 0.43 0.00 0.00 0.00 179.25 178.63 2opi n SER 62 N -4.81 3.38 -2.96 0.00 7.64 -1.22 -5.03 113.62 110.62 2opi n SER 62 Ca -0.09 -3.26 0.00 0.00 1.01 0.00 0.00 58.87 56.53 2opi n SER 62 Cb 0.29 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 2opi n SER 62 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2opi n GLY 63 N 1.74 0.58 3.79 0.23 0.00 -0.51 -4.51 105.19 106.52 2opi n GLY 63 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 2opi n GLY 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2opi s THR 64 N 1.95 5.13 0.36 2.61 -4.23 -1.26 -4.82 115.64 115.38 2opi s THR 64 Ca 0.00 0.07 -0.29 0.00 -1.18 0.00 0.00 61.69 60.30 2opi s THR 64 Cb 0.00 -3.24 -0.11 0.00 1.34 0.00 0.00 72.50 70.49 2opi s THR 64 CO 0.00 0.58 1.52 -0.81 -0.54 0.00 0.00 174.62 175.37 2opi n PRO 65 N 2.32 2.68 -0.03 3.99 -0.04 -1.26 -2.79 135.00 139.88 2opi n PRO 65 Ca -0.19 0.94 0.03 0.00 -0.04 0.00 0.00 63.50 64.24 2opi n PRO 65 Cb 0.54 -2.69 -0.11 0.00 -0.04 0.00 0.00 33.50 31.20 2opi n PRO 65 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2opi n THR 66 N 0.87 0.30 1.30 0.52 -2.24 0.44 -4.49 114.28 110.99 2opi n THR 66 Ca 0.03 -0.42 0.13 0.00 -2.27 0.00 0.00 64.05 61.52 2opi n THR 66 Cb 0.38 -0.09 0.41 0.00 -2.10 0.00 0.00 70.33 68.93 2opi n THR 66 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2opi n ASN 67 N -2.18 1.87 -0.97 3.42 2.04 -1.25 -4.95 115.26 113.25 2opi n ASN 67 Ca -0.09 -1.65 -0.10 0.00 -0.44 0.00 0.00 54.58 52.30 2opi n ASN 67 Cb 0.57 -0.04 -0.02 0.00 -2.53 0.00 0.00 39.78 37.76 2opi n ASN 67 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2opi n GLY 68 N 1.21 0.41 3.25 4.83 0.00 -1.26 -4.99 105.19 108.64 2opi n GLY 68 Ca 0.18 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 2opi n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2opi s VAL 69 N -2.44 2.13 0.06 1.61 1.01 -1.26 -5.10 120.40 116.41 2opi s VAL 69 Ca 0.00 -1.01 -0.31 0.00 0.00 0.00 0.00 61.98 60.66 2opi s VAL 69 Cb 0.00 -1.80 -0.06 0.00 0.00 0.00 0.00 36.38 34.52 2opi s VAL 69 CO 0.00 0.56 1.34 -0.75 0.00 0.00 0.00 175.10 176.25 2opi s LYS 70 N 0.13 4.34 0.76 2.72 2.20 -1.26 -4.58 119.74 124.04 2opi s LYS 70 Ca -0.12 1.95 -0.12 0.00 -0.36 0.00 0.00 55.97 57.32 2opi s LYS 70 Cb -0.16 -3.38 0.05 0.00 -1.51 0.00 0.00 37.83 32.82 2opi s LYS 70 CO 0.07 -0.43 1.12 -1.25 -0.36 0.00 0.00 175.35 174.49 2opi s PRO 71 N 1.53 2.38 0.00 4.03 0.04 -1.26 -2.56 135.00 139.15 2opi s PRO 71 Ca 0.63 0.40 0.00 0.00 0.04 0.00 0.00 61.00 62.06 2opi s PRO 71 Cb -0.33 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.24 2opi s PRO 71 CO 0.28 -1.36 0.00 0.45 0.04 0.00 0.00 177.00 176.41 2opi n SER 72 N -3.21 0.00 0.00 6.66 2.88 -0.76 -3.36 113.62 115.82 2opi n SER 72 Ca 0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 2opi n SER 72 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 2opi n SER 72 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2opi n GLU 74 N 0.00 0.00 0.28 -1.46 1.02 -1.26 -4.70 120.64 114.52 2opi n GLU 74 Ca 0.00 0.00 0.19 0.00 -0.02 0.00 0.00 57.16 57.33 2opi n GLU 74 Cb 0.00 0.00 1.02 0.00 -0.02 0.00 0.00 31.44 32.44 2opi n GLU 74 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2opi h SER 75 N 0.00 0.00 -0.40 1.62 4.64 -1.96 -2.80 113.55 114.65 2opi h SER 75 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 2opi h SER 75 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2opi h SER 75 CO 0.00 0.00 0.02 0.74 -0.87 0.00 0.00 176.83 176.72 2opi h THR 76 N 0.00 1.25 0.00 2.95 2.02 -1.98 -0.91 112.91 116.25 2opi h THR 76 Ca 0.00 -0.97 -0.04 0.00 0.77 0.00 0.00 66.41 66.18 2opi h THR 76 Cb 0.00 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 2opi h THR 76 CO 0.00 0.33 -0.18 2.19 0.37 0.00 0.00 175.52 178.23 2opi h PHE 77 N 0.54 0.00 0.18 3.16 -0.00 -1.78 0.19 116.94 119.23 2opi h PHE 77 Ca 0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 58.08 2opi h PHE 77 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.39 2opi h PHE 77 CO 0.03 0.18 -0.09 0.45 -0.00 0.00 0.00 178.31 178.89 2opi h HIS 78 N 0.00 -0.23 -0.09 6.09 3.86 -1.49 -2.37 115.15 120.92 2opi h HIS 78 Ca -0.00 -0.01 -0.21 0.00 -1.16 0.00 0.00 60.37 58.99 2opi h HIS 78 Cb 1.13 0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.68 2opi h HIS 78 CO 0.00 0.07 -0.80 -0.07 0.86 0.00 0.00 177.93 177.99 2opi h LEU 79 N -0.54 0.71 -0.37 2.43 3.38 -1.20 -2.83 115.31 116.90 2opi h LEU 79 Ca -0.03 -0.49 0.07 0.00 0.09 0.00 0.00 57.88 57.53 2opi h LEU 79 Cb 0.40 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.87 2opi h LEU 79 CO 0.04 1.26 -0.07 1.23 0.09 0.00 0.00 178.44 180.99 2opi h GLY 80 N 0.92 0.29 0.79 0.83 0.00 -1.01 0.14 103.07 105.03 2opi h GLY 80 Ca -0.05 0.11 0.05 0.00 0.00 0.00 0.00 47.33 47.43 2opi h GLY 80 CO 0.15 -0.13 0.53 -2.08 0.00 0.00 0.00 176.54 175.01 2opi h VAL 81 N 0.02 1.08 -0.47 4.60 2.07 -1.41 -1.64 116.25 120.50 2opi h VAL 81 Ca 0.18 -0.34 -0.12 0.00 0.82 0.00 0.00 66.70 67.24 2opi h VAL 81 Cb 0.27 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 2opi h VAL 81 CO -0.36 0.18 -0.17 -0.07 0.02 0.00 0.00 177.57 177.17 2opi h LEU 82 N 1.00 0.93 -0.37 2.57 3.38 -1.03 0.48 115.31 122.27 2opi h LEU 82 Ca 0.36 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2opi h LEU 82 Cb 0.10 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2opi h LEU 82 CO -0.15 1.09 0.15 0.03 0.09 0.00 0.00 178.44 179.65 2opi h ARG 83 N 0.81 0.56 -0.71 1.13 3.08 -0.80 -3.17 114.38 115.28 2opi h ARG 83 Ca 0.12 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 2opi h ARG 83 Cb 0.72 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.64 2opi h ARG 83 CO 0.05 0.54 0.24 1.49 -1.07 0.00 0.00 179.97 181.22 2opi h GLU 84 N 0.46 1.08 -3.36 0.04 4.81 -1.05 -3.40 114.58 113.17 2opi h GLU 84 Ca 0.12 -0.21 -0.64 0.00 -0.13 0.00 0.00 59.36 58.50 2opi h GLU 84 Cb 0.18 -0.17 -0.41 0.00 0.63 0.00 0.00 28.75 28.99 2opi h GLU 84 CO -0.01 0.91 -0.64 1.03 -0.73 0.00 0.00 179.01 179.57 2opi s ARG 85 N -5.41 1.94 0.57 1.92 1.81 0.17 -4.95 118.95 115.00 2opi s ARG 85 Ca -0.12 -2.60 0.27 0.00 -1.72 0.00 0.00 55.73 51.56 2opi s ARG 85 Cb 0.16 -3.27 1.68 0.00 -0.45 0.00 0.00 34.95 33.07 2opi s ARG 85 CO 0.83 -1.11 2.22 -1.35 -0.68 0.00 0.00 175.30 175.20 2opi h PRO 86 N 6.50 0.00 0.00 3.54 0.11 -1.78 -1.58 132.00 138.79 2opi h PRO 86 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 2opi h PRO 86 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 2opi h PRO 86 CO 0.68 0.00 0.00 0.38 -0.21 0.00 0.00 178.00 178.85 2opi h ASP 87 N 0.00 0.00 -3.24 -2.05 3.04 -1.92 -3.45 116.42 108.80 2opi h ASP 87 Ca 0.01 0.00 -0.57 0.00 -3.24 0.00 0.00 57.03 53.23 2opi h ASP 87 Cb 0.06 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 38.31 2opi h ASP 87 CO -0.00 0.00 -0.09 -0.69 -2.04 0.00 0.00 179.24 176.42 2opi s VAL 88 N -3.14 4.84 0.00 4.15 1.01 -0.60 -4.47 120.40 122.20 2opi s VAL 88 Ca 0.10 0.96 0.00 0.00 0.00 0.00 0.00 61.98 63.04 2opi s VAL 88 Cb 0.11 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.70 2opi s VAL 88 CO 0.60 0.41 0.00 0.59 0.00 0.00 0.00 175.10 176.70 2opi n ASN 89 N 1.29 3.12 -4.01 3.32 3.02 -0.61 -4.90 115.26 116.48 2opi n ASN 89 Ca -0.09 -0.01 -0.19 0.00 -0.03 0.00 0.00 54.58 54.27 2opi n ASN 89 Cb 0.51 0.64 -0.15 0.00 -0.61 0.00 0.00 39.78 40.17 2opi n ASN 89 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2opi s VAL 90 N -1.26 0.73 -0.07 2.41 1.01 -0.80 -0.62 120.40 121.80 2opi s VAL 90 Ca 0.00 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.63 2opi s VAL 90 Cb 0.00 -0.63 0.01 0.00 0.00 0.00 0.00 36.38 35.77 2opi s VAL 90 CO 0.00 0.21 -0.12 -0.69 0.00 0.00 0.00 175.10 174.50 2opi s VAL 91 N -0.08 1.14 -0.18 2.92 1.01 -1.00 -1.77 120.40 122.44 2opi s VAL 91 Ca 0.01 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.53 2opi s VAL 91 Cb -0.05 -1.05 0.03 0.00 0.00 0.00 0.00 36.38 35.31 2opi s VAL 91 CO -0.00 0.36 -0.13 -0.22 0.00 0.00 0.00 175.10 175.11 2opi s LEU 92 N 0.71 2.10 -0.31 3.92 2.96 0.14 -1.96 118.68 126.25 2opi s LEU 92 Ca -0.14 -0.74 -0.14 0.00 -0.22 0.00 0.00 54.13 52.90 2opi s LEU 92 Cb -0.16 -1.26 -0.03 0.00 0.50 0.00 0.00 46.19 45.25 2opi s LEU 92 CO 0.03 -0.10 0.31 -2.28 -1.32 0.00 0.00 176.35 172.99 2opi s HIS 93 N 1.40 3.22 0.26 5.38 5.65 -0.56 -0.31 115.29 130.33 2opi s HIS 93 Ca 0.01 0.11 0.02 0.00 0.25 0.00 0.00 55.06 55.46 2opi s HIS 93 Cb -0.15 -2.55 -0.01 0.00 -1.18 0.00 0.00 32.58 28.70 2opi s HIS 93 CO -0.10 -0.30 0.08 1.97 -0.65 0.00 0.00 174.74 175.74 2opi n PHE 94 N 5.26 0.18 -3.01 3.88 -1.74 0.32 -1.33 117.46 121.01 2opi n PHE 94 Ca -0.11 -1.58 -0.17 0.00 -0.56 0.00 0.00 57.45 55.03 2opi n PHE 94 Cb 0.50 -0.03 -0.02 0.00 1.52 0.00 0.00 39.48 41.45 2opi n PHE 94 CO 0.00 0.00 0.00 0.94 -0.56 0.00 0.00 176.76 177.14 2opi n GLN 95 N -0.59 0.74 -0.54 3.97 7.27 0.91 -1.23 117.38 127.91 2opi n GLN 95 Ca -0.05 -2.60 -0.30 0.00 0.07 0.00 0.00 57.00 54.12 2opi n GLN 95 Cb 0.38 -1.32 0.23 0.00 2.41 0.00 0.00 30.24 31.94 2opi n GLN 95 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 2opi n SER 96 N 1.51 -1.96 0.00 1.69 7.64 -0.83 -4.57 113.62 117.09 2opi n SER 96 Ca 0.16 -0.15 0.00 0.00 1.01 0.00 0.00 58.87 59.89 2opi n SER 96 Cb 0.57 -1.16 0.00 0.00 -1.01 0.00 0.00 64.21 62.61 2opi n SER 96 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2opi n GLU 97 N -4.00 0.00 0.13 1.43 2.13 -1.26 -2.82 120.64 116.24 2opi n GLU 97 Ca 0.02 0.40 -0.00 0.00 0.66 0.00 0.00 57.16 58.24 2opi n GLU 97 Cb 0.57 -1.19 0.08 0.00 0.27 0.00 0.00 31.44 31.17 2opi n GLU 97 CO 0.00 0.00 0.00 1.88 -0.41 0.00 0.00 177.13 178.60 2opi h TYR 98 N 0.00 0.00 -0.06 4.31 -1.99 -1.92 -2.62 116.97 114.69 2opi h TYR 98 Ca 0.00 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.60 2opi h TYR 98 Cb 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.72 2opi h TYR 98 CO 0.11 0.63 -0.56 0.00 -0.00 0.00 0.00 178.16 178.34 2opi h ALA 99 N 1.37 0.94 -0.02 3.88 0.00 -1.82 -1.50 119.26 122.11 2opi h ALA 99 Ca -0.01 -0.52 -0.24 0.00 0.00 0.00 0.00 54.91 54.15 2opi h ALA 99 Cb 1.33 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.04 2opi h ALA 99 CO 0.08 0.70 -0.94 1.15 0.00 0.00 0.00 179.25 180.24 2opi h THR 100 N 0.14 1.35 -0.34 0.00 2.02 -1.38 -1.72 112.91 112.97 2opi h THR 100 Ca -0.00 -2.32 0.07 0.00 0.77 0.00 0.00 66.41 64.93 2opi h THR 100 Cb 1.04 2.34 -0.07 0.00 -1.74 0.00 0.00 68.15 69.72 2opi h THR 100 CO 0.08 0.70 -0.10 0.00 0.37 0.00 0.00 175.52 176.57 2opi h ALA 101 N 0.63 0.20 -0.46 6.16 0.00 -1.27 -1.95 119.26 122.57 2opi h ALA 101 Ca -0.09 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2opi h ALA 101 Cb 1.58 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.64 2opi h ALA 101 CO 0.17 -0.48 0.10 0.82 0.00 0.00 0.00 179.25 179.86 2opi h ILE 102 N -0.02 1.21 0.00 0.00 2.04 -1.24 -1.72 117.51 117.77 2opi h ILE 102 Ca 0.17 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.27 2opi h ILE 102 Cb 0.28 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 2opi h ILE 102 CO -0.37 0.28 0.00 0.77 0.00 0.00 0.00 178.15 178.83 2opi h SER 103 N 0.68 0.00 -2.56 1.72 4.64 -0.55 -3.46 113.55 114.02 2opi h SER 103 Ca 0.15 0.00 -0.75 0.00 -0.47 0.00 0.00 61.79 60.72 2opi h SER 103 Cb 0.28 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 62.05 2opi h SER 103 CO -0.00 0.00 0.48 0.00 -0.87 0.00 0.00 176.83 176.44 2opi n LYS 106 N 0.73 1.60 -3.47 0.00 5.02 -1.26 -4.94 118.16 115.84 2opi n LYS 106 Ca 0.32 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 56.18 2opi n LYS 106 Cb 0.33 -0.99 -0.05 0.00 -0.02 0.00 0.00 35.03 34.29 2opi n LYS 106 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2opi s ASN 107 N -3.58 6.14 0.37 4.39 0.01 -1.26 -5.07 114.94 115.94 2opi s ASN 107 Ca 0.00 -2.55 -0.21 0.00 -0.71 0.00 0.00 52.86 49.39 2opi s ASN 107 Cb 0.00 -2.08 -0.10 0.00 0.41 0.00 0.00 41.25 39.47 2opi s ASN 107 CO 0.00 -0.56 0.89 -0.54 -1.51 0.00 0.00 177.10 175.38 2opi s LYS 108 N 0.39 4.26 0.42 -0.60 1.02 -1.26 -5.03 119.74 118.95 2opi s LYS 108 Ca 0.15 1.06 -0.25 0.00 0.02 0.00 0.00 55.97 56.94 2opi s LYS 108 Cb -0.17 -2.41 -0.10 0.00 -0.52 0.00 0.00 37.83 34.63 2opi s LYS 108 CO -0.05 0.10 1.15 -2.30 -0.92 0.00 0.00 175.35 173.33 2opi n PRO 109 N -0.23 1.63 0.09 -1.68 -0.02 -1.26 -4.91 135.00 128.63 2opi n PRO 109 Ca 0.05 0.58 0.12 0.00 -2.02 0.00 0.00 63.50 62.22 2opi n PRO 109 Cb 0.53 -2.22 0.03 0.00 -0.02 0.00 0.00 33.50 31.82 2opi n PRO 109 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2opi n THR 110 N -0.36 0.54 -3.62 3.45 -1.04 -1.26 -4.90 114.28 107.10 2opi n THR 110 Ca 0.08 -0.49 -0.12 0.00 -2.04 0.00 0.00 64.05 61.49 2opi n THR 110 Cb 0.39 -0.27 -0.11 0.00 -1.82 0.00 0.00 70.33 68.52 2opi n THR 110 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2opi s ASN 111 N -5.08 0.23 0.00 8.00 3.84 -1.26 -4.99 114.94 115.68 2opi s ASN 111 Ca 0.01 0.61 0.22 0.00 0.21 0.00 0.00 52.86 53.91 2opi s ASN 111 Cb 0.10 0.92 0.19 0.00 -0.55 0.00 0.00 41.25 41.91 2opi s ASN 111 CO 0.78 -0.25 1.20 0.49 -2.79 0.00 0.00 177.10 176.53 2opi n PHE 112 N 5.36 0.03 -1.91 0.43 3.01 -1.26 -4.85 117.46 118.28 2opi n PHE 112 Ca -0.06 -0.02 -0.42 0.00 1.01 0.00 0.00 57.45 57.96 2opi n PHE 112 Cb 0.50 -0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.96 2opi n PHE 112 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2opi n ASN 113 N 1.23 3.99 -0.00 4.37 3.02 -1.26 -4.65 115.26 121.96 2opi n ASN 113 Ca 0.13 -2.84 0.02 0.00 -0.03 0.00 0.00 54.58 51.86 2opi n ASN 113 Cb 0.54 -1.63 -0.12 0.00 -0.61 0.00 0.00 39.78 37.96 2opi n ASN 113 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2opi n VAL 114 N 5.63 0.80 -4.31 2.41 0.24 -1.26 -0.86 118.33 120.98 2opi n VAL 114 Ca 0.51 -0.65 -0.17 0.00 -2.04 0.00 0.00 64.34 61.98 2opi n VAL 114 Cb 0.41 -0.40 -0.10 0.00 -1.47 0.00 0.00 33.84 32.28 2opi n VAL 114 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2opi s THR 115 N -3.06 0.40 0.24 3.34 -4.23 -1.26 -4.76 115.64 106.31 2opi s THR 115 Ca -0.06 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.39 2opi s THR 115 Cb 0.10 -2.57 0.24 0.00 1.34 0.00 0.00 72.50 71.61 2opi s THR 115 CO 0.84 0.00 1.90 0.00 -0.54 0.00 0.00 174.62 176.82 2opi h ALA 116 N 2.34 1.23 0.00 3.99 0.00 -2.00 -2.86 119.26 121.95 2opi h ALA 116 Ca -0.36 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 2opi h ALA 116 Cb 1.25 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 2opi h ALA 116 CO 0.56 0.67 -0.02 1.05 0.00 0.00 0.00 179.25 181.51 2opi h GLU 117 N 1.33 0.00 0.42 0.00 9.09 -1.98 -2.91 114.58 120.52 2opi h GLU 117 Ca 0.35 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.74 2opi h GLU 117 Cb -0.08 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.02 2opi h GLU 117 CO -0.07 0.02 -0.20 0.82 0.05 0.00 0.00 179.01 179.63 2opi h ILE 118 N 0.00 0.00 -0.32 -1.06 1.08 -1.87 0.67 117.51 116.01 2opi h ILE 118 Ca -0.00 -0.44 0.09 0.00 -0.39 0.00 0.00 64.86 64.11 2opi h ILE 118 Cb 0.17 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.90 2opi h ILE 118 CO 0.00 0.00 0.23 1.55 -0.69 0.00 0.00 178.15 179.24 2opi h PRO 119 N -1.00 0.04 -0.09 2.37 0.13 -1.71 -0.60 132.00 131.14 2opi h PRO 119 Ca -0.06 -0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.92 2opi h PRO 119 Cb 0.43 -0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.56 2opi h PRO 119 CO 0.09 0.03 -0.52 0.00 -0.23 0.00 0.00 178.00 177.37 2opi n HIS 121 N -4.22 0.00 0.09 0.00 8.25 0.22 -4.68 115.22 114.88 2opi n HIS 121 Ca -0.08 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.32 2opi n HIS 121 Cb 0.61 -0.85 0.00 0.00 1.12 0.00 0.00 29.99 30.88 2opi n HIS 121 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2opi h VAL 122 N -0.89 1.55 0.00 1.59 2.07 -1.23 -3.46 116.25 115.88 2opi h VAL 122 Ca -0.57 -2.75 0.00 0.00 0.82 0.00 0.00 66.70 64.20 2opi h VAL 122 Cb 1.48 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 33.76 2opi h VAL 122 CO -0.34 0.79 0.00 0.61 0.02 0.00 0.00 177.57 178.65 2opi n GLY 123 N 0.86 3.22 0.10 2.17 0.00 -0.85 -4.19 105.19 106.50 2opi n GLY 123 Ca -0.02 -1.64 0.13 0.00 0.00 0.00 0.00 46.02 44.50 2opi n GLY 123 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2opi n SER 124 N 0.00 0.75 -3.99 1.61 3.41 -1.25 -4.21 113.62 109.94 2opi n SER 124 Ca 0.00 0.58 -0.19 0.00 -0.26 0.00 0.00 58.87 59.00 2opi n SER 124 Cb 0.00 -0.78 -0.15 0.00 -0.26 0.00 0.00 64.21 63.02 2opi n SER 124 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2opi s GLU 125 N -3.11 0.76 -0.33 4.33 2.12 -1.26 -4.87 118.70 116.34 2opi s GLU 125 Ca 0.10 -0.28 0.03 0.00 0.36 0.00 0.00 54.97 55.18 2opi s GLU 125 Cb 0.13 -0.73 0.10 0.00 0.26 0.00 0.00 34.13 33.88 2opi s GLU 125 CO 0.58 0.13 0.06 0.42 -0.54 0.00 0.00 175.26 175.91 2opi s ILE 126 N 0.03 1.87 0.34 -3.70 1.01 -1.26 -4.92 121.20 114.56 2opi s ILE 126 Ca -0.00 -2.05 -0.29 0.00 0.00 0.00 0.00 60.65 58.31 2opi s ILE 126 Cb -0.06 -2.38 -0.11 0.00 0.01 0.00 0.00 42.46 39.92 2opi s ILE 126 CO -0.00 -0.61 1.53 -2.84 0.00 0.00 0.00 174.94 173.02 2opi s PRO 127 N 1.11 4.12 -0.21 2.79 0.02 -1.26 -4.78 135.00 136.79 2opi s PRO 127 Ca 0.10 2.56 -0.04 0.00 0.02 0.00 0.00 61.00 63.64 2opi s PRO 127 Cb -0.18 -3.00 -0.01 0.00 0.02 0.00 0.00 34.50 31.32 2opi s PRO 127 CO -0.13 -0.57 -0.03 0.08 -0.33 0.00 0.00 177.00 176.02 2opi s VAL 128 N -0.60 3.52 -0.17 3.83 1.01 -1.26 -1.65 120.40 125.08 2opi s VAL 128 Ca 0.57 -0.45 -0.10 0.00 0.00 0.00 0.00 61.98 62.00 2opi s VAL 128 Cb -0.47 -2.59 -0.05 0.00 0.00 0.00 0.00 36.38 33.27 2opi s VAL 128 CO 0.56 0.42 0.18 -0.63 0.00 0.00 0.00 175.10 175.63 2opi s ILE 129 N 1.33 5.39 1.16 2.22 1.01 -0.00 -5.00 121.20 127.31 2opi s ILE 129 Ca 0.04 0.30 -0.15 0.00 0.00 0.00 0.00 60.65 60.84 2opi s ILE 129 Cb -0.14 -3.50 0.27 0.00 0.01 0.00 0.00 42.46 39.10 2opi s ILE 129 CO -0.01 0.48 1.04 -2.16 0.00 0.00 0.00 174.94 174.28 2opi s PRO 130 N 0.01 -0.88 0.00 2.79 0.04 -1.26 -0.91 135.00 134.79 2opi s PRO 130 Ca 0.12 0.50 -0.30 0.00 0.04 0.00 0.00 61.00 61.36 2opi s PRO 130 Cb -0.12 -1.59 -0.06 0.00 0.04 0.00 0.00 34.50 32.77 2opi s PRO 130 CO 0.01 -3.61 1.54 -0.47 0.04 0.00 0.00 177.00 174.51 2opi s TYR 131 N -2.66 2.50 0.12 0.56 5.04 -1.26 -4.44 117.35 117.21 2opi s TYR 131 Ca 0.68 0.51 0.07 0.00 -2.44 0.00 0.00 57.07 55.89 2opi s TYR 131 Cb -0.20 -3.82 -0.04 0.00 0.35 0.00 0.00 41.96 38.26 2opi s TYR 131 CO 0.61 -3.22 -0.17 0.71 -1.34 0.00 0.00 175.55 172.14 2opi s TYR 132 N 2.92 1.59 0.11 4.97 1.51 -1.26 -5.09 117.35 122.09 2opi s TYR 132 Ca 0.69 -0.49 -0.35 0.00 -1.01 0.00 0.00 57.07 55.91 2opi s TYR 132 Cb -0.34 -0.83 -0.15 0.00 -0.11 0.00 0.00 41.96 40.53 2opi s TYR 132 CO 0.29 0.20 1.53 -2.13 -1.11 0.00 0.00 175.55 174.32 2opi n ARG 133 N 0.70 1.81 -1.63 -0.62 0.63 -1.26 -4.89 116.66 111.40 2opi n ARG 133 Ca -0.17 0.65 -0.45 0.00 -0.92 0.00 0.00 57.85 56.96 2opi n ARG 133 Cb 0.56 -2.39 -0.02 0.00 0.45 0.00 0.00 32.46 31.06 2opi n ARG 133 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 2opi n PRO 134 N 3.38 1.61 -0.36 -0.14 -0.02 -1.26 -1.06 135.00 137.15 2opi n PRO 134 Ca 0.18 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 2opi n PRO 134 Cb 0.25 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 2opi n PRO 134 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2opi n GLY 135 N 1.63 2.04 3.77 -1.23 0.00 -1.26 -5.01 105.19 105.13 2opi n GLY 135 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 2opi n GLY 135 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2opi s SER 136 N -3.48 6.31 0.29 1.61 1.04 -0.22 -4.90 113.70 114.36 2opi s SER 136 Ca 0.00 2.46 0.04 0.00 0.48 0.00 0.00 55.95 58.93 2opi s SER 136 Cb 0.00 -2.62 0.70 0.00 0.10 0.00 0.00 66.02 64.20 2opi s SER 136 CO 0.00 -0.83 1.77 -0.65 0.98 0.00 0.00 173.24 174.51 2opi h PRO 137 N 2.46 0.72 -0.03 4.02 0.11 -1.95 -1.98 132.00 135.35 2opi h PRO 137 Ca -0.49 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.55 2opi h PRO 137 Cb 1.24 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 2opi h PRO 137 CO 0.62 0.48 -0.09 0.93 -0.21 0.00 0.00 178.00 179.72 2opi h GLU 138 N 0.74 0.05 -0.01 1.05 3.07 -1.93 -1.39 114.58 116.16 2opi h GLU 138 Ca 0.56 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.40 2opi h GLU 138 Cb 0.84 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.75 2opi h GLU 138 CO -0.38 0.15 -0.02 1.25 -1.40 0.00 0.00 179.01 178.61 2opi h LEU 139 N 0.05 0.04 -0.45 1.33 6.46 -1.65 -2.68 115.31 118.40 2opi h LEU 139 Ca 0.01 -0.57 0.06 0.00 -0.12 0.00 0.00 57.88 57.26 2opi h LEU 139 Cb 0.20 -0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 40.07 2opi h LEU 139 CO 0.01 0.60 0.15 0.00 -0.62 0.00 0.00 178.44 178.59 2opi h ALA 140 N 0.44 0.54 -1.00 1.25 0.00 -1.23 -1.30 119.26 117.95 2opi h ALA 140 Ca 0.00 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2opi h ALA 140 Cb 0.60 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 2opi h ALA 140 CO 0.01 -0.24 0.66 -0.22 0.00 0.00 0.00 179.25 179.45 2opi h LYS 141 N 0.32 1.32 -0.35 0.00 3.64 -1.31 -0.92 116.57 119.27 2opi h LYS 141 Ca 0.21 -0.08 -0.13 0.00 -1.27 0.00 0.00 60.65 59.38 2opi h LYS 141 Cb 0.22 -0.30 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 2opi h LYS 141 CO -0.23 0.88 -0.29 0.00 -2.27 0.00 0.00 179.45 177.55 2opi h ALA 142 N 1.37 0.50 0.13 5.00 0.00 -1.05 -2.04 119.26 123.17 2opi h ALA 142 Ca 0.37 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2opi h ALA 142 Cb -0.15 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.53 2opi h ALA 142 CO -0.08 0.52 -0.06 0.28 0.00 0.00 0.00 179.25 179.91 2opi h VAL 143 N 0.59 1.00 -0.63 0.00 2.07 -0.90 0.12 116.25 118.51 2opi h VAL 143 Ca 0.06 -0.58 0.13 0.00 0.82 0.00 0.00 66.70 67.13 2opi h VAL 143 Cb 0.86 1.36 -0.11 0.00 -1.52 0.00 0.00 31.29 31.88 2opi h VAL 143 CO 0.07 0.14 0.00 0.58 0.02 0.00 0.00 177.57 178.39 2opi h VAL 144 N -0.46 0.48 0.31 2.57 2.07 -1.25 -2.12 116.25 117.86 2opi h VAL 144 Ca -0.02 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 2opi h VAL 144 Cb 0.36 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2opi h VAL 144 CO 0.03 0.02 -0.15 -0.33 0.02 0.00 0.00 177.57 177.16 2opi h GLU 145 N 0.12 -0.41 -0.91 1.57 5.08 -1.08 -2.96 114.58 115.99 2opi h GLU 145 Ca 0.33 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 2opi h GLU 145 Cb 0.53 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2opi h GLU 145 CO -0.54 -0.24 0.00 0.00 -1.00 0.00 0.00 179.01 177.23 2opi n ALA 146 N -2.29 0.83 0.00 3.43 0.00 0.40 -4.49 120.51 118.39 2opi n ALA 146 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2opi n ALA 146 Cb 0.20 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.00 2opi n ALA 146 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2opi n LEU 148 N 0.60 0.00 -0.21 0.00 0.00 -1.12 -3.36 117.00 112.91 2opi n LEU 148 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 56.01 56.05 2opi n LEU 148 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 43.42 43.51 2opi n LEU 148 CO 0.00 0.00 0.56 0.29 0.00 0.00 0.00 177.39 178.24 2opi n LYS 149 N 0.00 2.55 -4.12 1.96 4.01 -1.26 -4.99 118.16 116.31 2opi n LYS 149 Ca 0.00 -1.99 -0.14 0.00 -0.51 0.00 0.00 58.31 55.67 2opi n LYS 149 Cb 0.00 -1.25 -0.11 0.00 -0.51 0.00 0.00 35.03 33.16 2opi n LYS 149 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 2opi s HIS 150 N -1.63 0.88 -1.87 2.13 3.76 -1.21 -5.03 115.29 112.31 2opi s HIS 150 Ca 0.16 -0.57 0.18 0.00 -0.15 0.00 0.00 55.06 54.68 2opi s HIS 150 Cb 0.12 -0.51 0.06 0.00 1.11 0.00 0.00 32.58 33.36 2opi s HIS 150 CO 0.04 -0.05 0.97 0.09 -0.85 0.00 0.00 174.74 174.95 2opi n ASN 151 N 1.07 2.05 -3.68 1.40 3.02 -1.26 -4.94 115.26 112.92 2opi n ASN 151 Ca -0.20 -1.53 -0.10 0.00 -0.03 0.00 0.00 54.58 52.73 2opi n ASN 151 Cb 0.56 0.27 -0.11 0.00 -0.61 0.00 0.00 39.78 39.89 2opi n ASN 151 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2opi s SER 152 N -1.79 -0.37 0.03 6.41 0.01 -1.26 -1.57 113.70 115.16 2opi s SER 152 Ca 0.17 0.89 0.03 0.00 1.31 0.00 0.00 55.95 58.35 2opi s SER 152 Cb 0.14 0.93 -0.02 0.00 0.21 0.00 0.00 66.02 67.28 2opi s SER 152 CO 0.34 -0.21 -0.09 0.54 0.41 0.00 0.00 173.24 174.24 2opi s VAL 153 N 1.83 0.65 -0.24 3.43 0.11 -0.23 -4.07 120.40 121.88 2opi s VAL 153 Ca -0.06 -0.81 -0.10 0.00 -2.93 0.00 0.00 61.98 58.07 2opi s VAL 153 Cb -0.10 -0.64 -0.05 0.00 -1.53 0.00 0.00 36.38 34.06 2opi s VAL 153 CO -0.12 -0.14 0.16 -0.22 -3.33 0.00 0.00 175.10 171.45 2opi s LEU 154 N -1.05 4.06 -0.29 2.54 2.96 -0.66 -1.41 118.68 124.84 2opi s LEU 154 Ca -0.03 0.08 -0.14 0.00 -0.22 0.00 0.00 54.13 53.82 2opi s LEU 154 Cb -0.07 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 2opi s LEU 154 CO 0.00 0.05 0.31 -0.76 -1.32 0.00 0.00 176.35 174.63 2opi s LEU 155 N 1.14 4.13 0.20 -0.68 1.43 0.27 -0.82 118.68 124.36 2opi s LEU 155 Ca 0.07 0.06 -0.30 0.00 -1.03 0.00 0.00 54.13 52.93 2opi s LEU 155 Cb -0.14 -2.30 -0.08 0.00 0.03 0.00 0.00 46.19 43.70 2opi s LEU 155 CO 0.05 -0.17 1.19 0.42 0.23 0.00 0.00 176.35 178.07 2opi s THR 156 N 1.95 3.53 -1.54 5.49 -4.23 -0.08 -2.11 115.64 118.64 2opi s THR 156 Ca 0.11 1.33 -0.03 0.00 -1.18 0.00 0.00 61.69 61.92 2opi s THR 156 Cb -0.16 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 69.84 2opi s THR 156 CO 0.11 0.23 0.35 0.59 -0.54 0.00 0.00 174.62 175.35 2opi n ASN 157 N 2.28 -5.76 0.09 3.99 3.02 0.10 -4.00 115.26 114.98 2opi n ASN 157 Ca 0.03 -0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 2opi n ASN 157 Cb 0.45 -4.66 0.00 0.00 -0.61 0.00 0.00 39.78 34.95 2opi n ASN 157 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 2opi n HIS 158 N -4.28 -2.33 0.00 3.10 -0.00 -1.14 -5.03 115.22 105.54 2opi n HIS 158 Ca -0.16 0.49 0.00 0.00 0.46 0.00 0.00 57.72 58.51 2opi n HIS 158 Cb 0.64 1.33 0.00 0.00 -0.12 0.00 0.00 29.99 31.84 2opi n HIS 158 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2opi n GLY 159 N 0.11 -0.51 3.20 1.57 0.00 -0.90 -4.86 105.19 103.80 2opi n GLY 159 Ca 0.00 -0.51 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 2opi n GLY 159 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2opi s GLN 160 N -1.93 0.82 -0.01 1.61 0.00 -0.36 -0.56 119.66 119.22 2opi s GLN 160 Ca 0.00 -0.91 0.04 0.00 -0.00 0.00 0.00 55.36 54.49 2opi s GLN 160 Cb 0.00 0.33 -0.01 0.00 0.00 0.00 0.00 33.01 33.33 2opi s GLN 160 CO 0.00 -0.26 -0.14 0.08 0.00 0.00 0.00 175.29 174.97 2opi s VAL 161 N -3.67 1.14 0.03 3.63 1.01 -0.50 -0.52 120.40 121.51 2opi s VAL 161 Ca 0.03 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.40 2opi s VAL 161 Cb 0.04 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 2opi s VAL 161 CO -0.10 0.32 -0.04 -0.69 0.00 0.00 0.00 175.10 174.59 2opi s VAL 162 N -0.31 0.20 0.12 2.92 1.01 0.57 -1.07 120.40 123.85 2opi s VAL 162 Ca 0.05 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 61.00 2opi s VAL 162 Cb -0.06 -0.36 -0.02 0.00 0.00 0.00 0.00 36.38 35.94 2opi s VAL 162 CO -0.00 -0.49 0.17 0.00 0.00 0.00 0.00 175.10 174.78 2opi n GLY 164 N -0.11 0.36 0.26 0.00 0.00 -0.73 -4.79 105.19 100.18 2opi n GLY 164 Ca -0.09 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 44.96 2opi n GLY 164 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2opi h LYS 165 N 0.00 0.83 0.00 1.61 1.57 -1.87 -1.45 116.57 117.26 2opi h LYS 165 Ca -0.05 -0.40 -0.10 0.00 -1.87 0.00 0.00 60.65 58.22 2opi h LYS 165 Cb 0.31 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 2opi h LYS 165 CO 0.08 1.04 -0.06 -0.40 -0.57 0.00 0.00 179.45 179.54 2opi n ASP 166 N -4.07 -0.43 -0.06 0.86 3.85 -1.26 -4.20 116.55 111.25 2opi n ASP 166 Ca -0.01 -1.64 -0.07 0.00 -0.71 0.00 0.00 54.79 52.36 2opi n ASP 166 Cb 0.51 0.81 0.10 0.00 -1.35 0.00 0.00 41.12 41.18 2opi n ASP 166 CO 0.00 0.00 0.00 -0.26 -1.01 0.00 0.00 177.20 175.93 2opi h PHE 167 N 1.34 0.80 -0.18 2.11 -1.00 -1.97 -2.47 116.94 115.56 2opi h PHE 167 Ca -0.09 -0.19 -0.06 0.00 2.81 0.00 0.00 57.97 60.44 2opi h PHE 167 Cb 0.39 -0.19 -0.00 0.00 3.61 0.00 0.00 35.95 39.76 2opi h PHE 167 CO 0.00 0.90 -0.12 -0.44 -1.61 0.00 0.00 178.31 177.04 2opi h ASP 168 N 0.60 0.42 -0.36 2.17 3.32 -1.98 0.14 116.42 120.73 2opi h ASP 168 Ca 0.08 -0.44 0.01 0.00 0.02 0.00 0.00 57.03 56.70 2opi h ASP 168 Cb 0.77 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 2opi h ASP 168 CO 0.06 0.77 0.22 -0.61 -1.72 0.00 0.00 179.24 177.96 2opi h GLN 169 N 0.07 0.44 -0.59 3.56 4.15 -1.98 0.30 115.11 121.06 2opi h GLN 169 Ca 0.04 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.44 2opi h GLN 169 Cb 0.63 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.18 2opi h GLN 169 CO 0.03 0.29 0.38 0.28 -1.93 0.00 0.00 178.83 177.89 2opi h VAL 170 N 0.46 1.12 -0.34 2.39 2.07 -1.40 0.25 116.25 120.80 2opi h VAL 170 Ca 0.14 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 2opi h VAL 170 Cb -0.02 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 2opi h VAL 170 CO -0.05 0.14 0.20 0.22 0.02 0.00 0.00 177.57 178.10 2opi h TYR 171 N 0.77 0.45 -0.02 1.57 5.03 -0.50 0.55 116.97 124.81 2opi h TYR 171 Ca 0.22 -0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.54 2opi h TYR 171 Cb -0.06 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.07 2opi h TYR 171 CO -0.04 0.33 -0.03 1.49 -1.32 0.00 0.00 178.16 178.59 2opi h GLU 172 N 0.43 -0.04 -0.46 1.82 4.81 -0.02 -1.60 114.58 119.53 2opi h GLU 172 Ca 0.12 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.37 2opi h GLU 172 Cb 0.02 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 2opi h GLU 172 CO -0.02 -0.02 0.28 -0.09 -0.73 0.00 0.00 179.01 178.43 2opi h ARG 173 N -0.04 0.56 -0.20 1.92 9.65 -0.31 -2.31 114.38 123.65 2opi h ARG 173 Ca 0.02 -0.03 0.01 0.00 -1.10 0.00 0.00 59.98 58.88 2opi h ARG 173 Cb 0.07 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.50 2opi h ARG 173 CO -0.05 0.37 0.09 0.00 2.80 0.00 0.00 179.97 183.18 2opi h ALA 174 N 1.19 0.23 -0.65 2.80 0.00 -0.68 -1.55 119.26 120.60 2opi h ALA 174 Ca 0.18 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 2opi h ALA 174 Cb -0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2opi h ALA 174 CO -0.06 -0.33 0.25 1.15 0.00 0.00 0.00 179.25 180.26 2opi h THR 175 N 0.20 1.23 0.00 0.00 2.02 -1.09 -1.12 112.91 114.15 2opi h THR 175 Ca 0.08 -0.72 -0.16 0.00 0.77 0.00 0.00 66.41 66.38 2opi h THR 175 Cb 0.03 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 2opi h THR 175 CO -0.06 0.29 -0.78 -0.26 0.37 0.00 0.00 175.52 175.07 2opi h PHE 176 N 0.94 0.00 -0.06 3.16 0.05 -1.32 -3.01 116.94 116.71 2opi h PHE 176 Ca 0.22 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 62.01 2opi h PHE 176 Cb 0.19 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.14 2opi h PHE 176 CO 0.01 0.71 0.03 0.35 -0.18 0.00 0.00 178.31 179.24 2opi h PHE 177 N 0.00 0.08 0.00 -0.55 3.04 -0.94 -0.89 116.94 117.69 2opi h PHE 177 Ca -0.02 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.92 2opi h PHE 177 Cb 1.57 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 40.05 2opi h PHE 177 CO 0.00 0.17 0.00 -1.91 -2.02 0.00 0.00 178.31 174.55 2opi n GLU 178 N -4.98 0.02 0.00 1.11 4.07 -0.45 -2.41 120.64 117.99 2opi n GLU 178 Ca -0.06 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.04 2opi n GLU 178 Cb 0.09 -1.26 0.00 0.00 -0.06 0.00 0.00 31.44 30.21 2opi n GLU 178 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2opi n ALA 180 N 0.75 0.00 -0.34 4.31 0.00 -0.34 -0.93 120.51 123.96 2opi n ALA 180 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 2opi n ALA 180 Cb 0.01 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.55 2opi n ALA 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2opi h ARG 182 N 1.26 0.73 -0.50 0.00 2.43 -1.32 -1.51 114.38 115.46 2opi h ARG 182 Ca 0.32 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.47 2opi h ARG 182 Cb -0.02 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.33 2opi h ARG 182 CO -0.06 0.48 0.31 0.82 -1.51 0.00 0.00 179.97 180.01 2opi h ILE 183 N 0.75 1.07 -0.08 1.20 1.08 -1.73 -0.86 117.51 118.94 2opi h ILE 183 Ca 0.23 -0.21 -0.01 0.00 -0.39 0.00 0.00 64.86 64.48 2opi h ILE 183 Cb -0.03 0.40 -0.00 0.00 -3.07 0.00 0.00 36.82 34.12 2opi h ILE 183 CO -0.08 0.11 0.00 0.40 -0.69 0.00 0.00 178.15 177.90 2opi h ILE 184 N 0.62 1.24 -0.06 -0.67 2.04 -1.04 -0.06 117.51 119.58 2opi h ILE 184 Ca 0.20 -0.76 -0.00 0.00 1.00 0.00 0.00 64.86 65.29 2opi h ILE 184 Cb -0.00 1.61 -0.00 0.00 -0.74 0.00 0.00 36.82 37.68 2opi h ILE 184 CO -0.08 0.21 0.03 0.58 0.00 0.00 0.00 178.15 178.89 2opi h VAL 185 N -0.14 1.13 0.00 1.67 2.07 -1.27 -1.88 116.25 117.83 2opi h VAL 185 Ca 0.02 -0.38 -0.08 0.00 0.82 0.00 0.00 66.70 67.09 2opi h VAL 185 Cb 0.33 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2opi h VAL 185 CO 0.00 0.11 -0.38 1.56 0.02 0.00 0.00 177.57 178.88 2opi h GLN 186 N -0.05 0.00 0.00 1.57 4.20 -1.08 -1.36 115.11 118.39 2opi h GLN 186 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2opi h GLN 186 Cb 0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 2opi h GLN 186 CO -0.00 0.38 0.00 0.66 -0.67 0.00 0.00 178.83 179.19 2opi h SER 187 N 0.00 0.00 0.00 1.46 4.64 -1.04 -3.47 113.55 115.15 2opi h SER 187 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2opi h SER 187 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 2opi h SER 187 CO 0.05 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 2opi n GLY 188 N 0.52 0.54 2.96 -0.77 0.00 -0.51 -3.99 105.19 103.94 2opi n GLY 188 Ca 0.03 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.20 2opi n GLY 188 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2opi n GLY 189 N -2.26 2.73 2.96 -0.02 0.00 -0.71 -4.93 105.19 102.95 2opi n GLY 189 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2opi n GLY 189 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2opi n ASP 190 N 0.00 6.03 -4.57 1.61 -0.08 -1.26 -4.97 116.55 113.32 2opi n ASP 190 Ca 0.00 -3.33 -0.25 0.00 -1.51 0.00 0.00 54.79 49.70 2opi n ASP 190 Cb 0.00 -1.33 -0.10 0.00 2.34 0.00 0.00 41.12 42.03 2opi n ASP 190 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 2opi s TYR 191 N -1.85 2.45 0.31 -0.67 1.13 -1.26 -5.04 117.35 112.42 2opi s TYR 191 Ca 0.34 -0.45 0.08 0.00 -1.41 0.00 0.00 57.07 55.62 2opi s TYR 191 Cb 0.06 -1.37 -0.03 0.00 -1.10 0.00 0.00 41.96 39.52 2opi s TYR 191 CO 0.08 0.57 0.21 -1.54 -2.51 0.00 0.00 175.55 172.36 2opi s SER 192 N -3.63 5.13 0.28 -0.18 1.04 -1.26 -5.15 113.70 109.93 2opi s SER 192 Ca 0.33 -0.52 0.08 0.00 0.48 0.00 0.00 55.95 56.32 2opi s SER 192 Cb 0.01 -0.99 -0.06 0.00 0.10 0.00 0.00 66.02 65.08 2opi s SER 192 CO 0.17 -0.25 -0.10 0.68 0.98 0.00 0.00 173.24 174.73 2opi s VAL 193 N -2.30 1.92 0.36 5.02 -7.23 -1.26 -4.71 120.40 112.19 2opi s VAL 193 Ca 0.38 -2.20 -0.28 0.00 -1.81 0.00 0.00 61.98 58.07 2opi s VAL 193 Cb -0.05 -2.42 -0.10 0.00 0.56 0.00 0.00 36.38 34.37 2opi s VAL 193 CO 0.25 -0.33 1.28 -0.76 -0.31 0.00 0.00 175.10 175.23 2opi s LEU 194 N -3.48 4.35 0.54 1.32 1.43 -0.04 -5.01 118.68 117.79 2opi s LEU 194 Ca 0.29 2.63 -0.19 0.00 -1.03 0.00 0.00 54.13 55.83 2opi s LEU 194 Cb 0.02 -3.75 -0.06 0.00 0.03 0.00 0.00 46.19 42.42 2opi s LEU 194 CO 0.13 -0.61 1.10 -0.89 0.23 0.00 0.00 176.35 176.30 2opi s THR 195 N -1.20 3.39 0.14 5.49 2.01 -1.26 -4.84 115.64 119.37 2opi s THR 195 Ca 0.52 0.84 -0.25 0.00 0.31 0.00 0.00 61.69 63.10 2opi s THR 195 Cb -0.38 -3.33 -0.02 0.00 0.01 0.00 0.00 72.50 68.78 2opi s THR 195 CO 0.50 -0.22 1.62 -0.65 -0.69 0.00 0.00 174.62 175.18 2opi h PRO 196 N 1.16 -0.36 -0.75 4.92 0.11 -1.99 0.16 132.00 135.25 2opi h PRO 196 Ca -0.49 0.02 0.14 0.00 0.11 0.00 0.00 66.00 65.78 2opi h PRO 196 Cb 1.25 0.08 -0.14 0.00 0.11 0.00 0.00 31.00 32.30 2opi h PRO 196 CO 0.57 -0.24 -0.25 1.49 -0.21 0.00 0.00 178.00 179.36 2opi h GLU 197 N -0.38 -0.05 -0.54 1.05 4.81 -1.99 -1.66 114.58 115.83 2opi h GLU 197 Ca 0.09 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 2opi h GLU 197 Cb 0.52 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 2opi h GLU 197 CO -0.33 -0.03 0.24 0.93 -0.73 0.00 0.00 179.01 179.09 2opi h GLU 198 N -0.05 0.76 0.00 1.92 5.08 -1.52 0.71 114.58 121.49 2opi h GLU 198 Ca 0.33 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.49 2opi h GLU 198 Cb 0.57 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2opi h GLU 198 CO -0.79 0.61 -0.48 -0.84 -1.00 0.00 0.00 179.01 176.51 2opi h ILE 199 N 0.76 1.27 -0.19 3.13 -0.00 -0.10 -3.08 117.51 119.30 2opi h ILE 199 Ca 0.19 -1.69 -0.16 0.00 -0.00 0.00 0.00 64.86 63.20 2opi h ILE 199 Cb 0.11 1.93 0.00 0.00 -0.00 0.00 0.00 36.82 38.86 2opi h ILE 199 CO -0.02 0.47 -0.50 -0.08 -0.00 0.00 0.00 178.15 178.02 2opi h GLU 200 N 0.00 0.68 -1.25 0.16 4.81 -0.33 -3.06 114.58 115.58 2opi h GLU 200 Ca -0.00 -0.47 0.38 0.00 -0.13 0.00 0.00 59.36 59.14 2opi h GLU 200 Cb 0.89 0.07 -0.11 0.00 0.63 0.00 0.00 28.75 30.23 2opi h GLU 200 CO 0.06 1.09 0.82 0.22 -0.73 0.00 0.00 179.01 180.47 2opi h ASP 201 N 0.38 0.28 0.03 1.04 3.58 -0.84 -1.74 116.42 119.15 2opi h ASP 201 Ca -0.01 0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.55 2opi h ASP 201 Cb 1.11 0.08 -0.00 0.00 1.72 0.00 0.00 39.33 42.24 2opi h ASP 201 CO 0.11 -0.08 -0.00 -0.07 -2.88 0.00 0.00 179.24 176.31 2opi h LEU 202 N 0.17 0.00 -0.94 2.28 3.38 -1.45 -2.71 115.31 116.04 2opi h LEU 202 Ca 0.74 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.86 2opi h LEU 202 Cb 2.28 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 42.93 2opi h LEU 202 CO -0.34 0.00 0.54 1.05 0.09 0.00 0.00 178.44 179.78 2opi h GLU 203 N 0.00 0.74 -0.57 1.13 4.11 -1.50 0.23 114.58 118.71 2opi h GLU 203 Ca -0.00 -0.04 -0.09 0.00 0.07 0.00 0.00 59.36 59.29 2opi h GLU 203 Cb 0.02 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 2opi h GLU 203 CO 0.00 0.49 -0.00 0.82 0.07 0.00 0.00 179.01 180.38 2opi h ILE 204 N 0.76 1.27 -0.32 -1.06 1.08 -1.71 0.00 117.51 117.53 2opi h ILE 204 Ca 0.51 -1.14 -0.05 0.00 -0.39 0.00 0.00 64.86 63.79 2opi h ILE 204 Cb 0.70 0.86 -0.01 0.00 -3.07 0.00 0.00 36.82 35.30 2opi h ILE 204 CO -0.35 0.41 -0.00 0.22 -0.69 0.00 0.00 178.15 177.74 2opi h TYR 205 N 0.90 0.61 -0.49 1.37 3.20 -1.33 -2.07 116.97 119.15 2opi h TYR 205 Ca 0.16 -0.11 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 2opi h TYR 205 Cb 0.55 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 2opi h TYR 205 CO 0.04 0.69 0.22 0.28 -1.64 0.00 0.00 178.16 177.75 2opi h VAL 206 N 0.36 1.20 0.03 1.81 2.07 -0.47 -2.42 116.25 118.83 2opi h VAL 206 Ca 0.09 -0.59 0.02 0.00 0.82 0.00 0.00 66.70 67.04 2opi h VAL 206 Cb 0.45 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 2opi h VAL 206 CO 0.02 0.23 -0.53 -0.07 0.02 0.00 0.00 177.57 177.23 2opi h LEU 207 N 0.65 -1.64 -1.43 2.57 3.38 -0.97 -2.49 115.31 115.38 2opi h LEU 207 Ca 0.17 0.18 0.29 0.00 0.09 0.00 0.00 57.88 58.61 2opi h LEU 207 Cb 0.15 0.62 -0.09 0.00 0.09 0.00 0.00 40.66 41.43 2opi h LEU 207 CO -0.02 -0.53 0.70 1.23 0.09 0.00 0.00 178.44 179.91 2opi h GLY 208 N -0.70 1.11 1.00 0.83 0.00 -1.19 -3.51 103.07 100.61 2opi h GLY 208 Ca 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2opi h GLY 208 CO -0.34 -0.15 0.00 0.28 0.00 0.00 0.00 176.54 176.33