#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pa2 s ALA 41 N 0.00 3.47 -0.98 3.14 0.00 -1.26 -4.99 121.76 121.13 2pa2 s ALA 41 Ca 0.00 -2.13 -0.26 0.00 0.00 0.00 0.00 51.96 49.57 2pa2 s ALA 41 Cb 0.00 -3.37 -0.16 0.00 0.00 0.00 0.00 23.12 19.59 2pa2 s ALA 41 CO 0.00 -2.11 2.17 -1.59 0.00 0.00 0.00 175.76 174.23 2pa2 s LYS 42 N 2.33 1.63 0.09 0.00 -2.85 -1.26 -4.67 119.74 115.01 2pa2 s LYS 42 Ca 0.10 -0.22 0.16 0.00 -1.00 0.00 0.00 55.97 55.01 2pa2 s LYS 42 Cb -0.24 -4.96 -0.12 0.00 -2.06 0.00 0.00 37.83 30.45 2pa2 s LYS 42 CO 0.07 -4.74 0.92 -0.39 0.10 0.00 0.00 175.35 171.31 2pa2 h VAL 43 N 7.01 0.61 0.02 1.79 -1.51 -1.94 -3.22 116.25 119.00 2pa2 h VAL 43 Ca 0.05 -2.11 -0.24 0.00 -1.23 0.00 0.00 66.70 63.16 2pa2 h VAL 43 Cb 0.99 2.14 0.01 0.00 -2.13 0.00 0.00 31.29 32.30 2pa2 h VAL 43 CO 1.06 0.35 -1.00 0.44 -1.23 0.00 0.00 177.57 177.19 2pa2 h ASP 44 N 0.00 0.62 0.81 4.19 3.32 -2.00 -3.17 116.42 120.19 2pa2 h ASP 44 Ca -0.14 -0.51 -0.24 0.00 0.02 0.00 0.00 57.03 56.15 2pa2 h ASP 44 Cb 1.59 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.92 2pa2 h ASP 44 CO 0.05 1.32 -1.24 1.05 -1.72 0.00 0.00 179.24 178.70 2pa2 h GLU 45 N 0.25 0.02 -2.48 3.56 4.11 -1.97 -3.38 114.58 114.70 2pa2 h GLU 45 Ca -0.10 -0.04 -0.64 0.00 0.07 0.00 0.00 59.36 58.65 2pa2 h GLU 45 Cb 1.65 0.01 -0.39 0.00 0.50 0.00 0.00 28.75 30.52 2pa2 h GLU 45 CO 0.18 0.87 -0.35 1.19 0.07 0.00 0.00 179.01 180.96 2pa2 n PHE 46 N -3.27 3.45 0.60 2.06 3.72 -1.22 -4.35 117.46 118.45 2pa2 n PHE 46 Ca -0.06 -3.95 0.12 0.00 -0.05 0.00 0.00 57.45 53.52 2pa2 n PHE 46 Cb 0.98 -0.71 0.45 0.00 -0.94 0.00 0.00 39.48 39.26 2pa2 n PHE 46 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2pa2 n PRO 47 N 1.14 0.19 -3.19 -1.08 -0.04 -1.10 -3.98 135.00 126.93 2pa2 n PRO 47 Ca 0.28 0.25 -0.40 0.00 -0.04 0.00 0.00 63.50 63.59 2pa2 n PRO 47 Cb 0.39 -1.76 -0.07 0.00 -0.04 0.00 0.00 33.50 32.02 2pa2 n PRO 47 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2pa2 s LEU 48 N -4.19 4.13 -0.07 1.53 2.96 -0.29 -4.50 118.68 118.25 2pa2 s LEU 48 Ca 0.09 0.71 0.03 0.00 -0.22 0.00 0.00 54.13 54.74 2pa2 s LEU 48 Cb 0.12 -2.77 -0.02 0.00 0.50 0.00 0.00 46.19 44.02 2pa2 s LEU 48 CO 0.50 -0.24 -0.16 0.00 -1.32 0.00 0.00 176.35 175.13 2pa2 s GLY 50 N -0.42 1.17 -0.04 0.00 0.00 0.30 -0.19 107.32 108.14 2pa2 s GLY 50 Ca 0.05 -0.96 0.03 0.00 0.00 0.00 0.00 44.72 43.84 2pa2 s GLY 50 CO 0.02 -0.65 -0.13 0.30 0.00 0.00 0.00 173.10 172.63 2pa2 s HIS 51 N -0.25 1.41 -0.70 1.90 3.76 0.20 -1.35 115.29 120.26 2pa2 s HIS 51 Ca 0.01 -0.43 -0.18 0.00 -0.15 0.00 0.00 55.06 54.31 2pa2 s HIS 51 Cb -0.12 -0.99 0.13 0.00 1.11 0.00 0.00 32.58 32.71 2pa2 s HIS 51 CO 0.02 -0.18 0.81 1.41 -0.85 0.00 0.00 174.74 175.95 2pa2 s MET 52 N 0.28 3.24 -0.20 1.40 1.75 -0.57 -0.60 119.30 124.59 2pa2 s MET 52 Ca -0.07 -1.56 -0.22 0.00 -1.25 0.00 0.00 55.69 52.59 2pa2 s MET 52 Cb -0.12 -4.41 -0.02 0.00 2.84 0.00 0.00 34.83 33.12 2pa2 s MET 52 CO 0.02 -1.56 0.70 0.08 -0.65 0.00 0.00 175.02 173.61 2pa2 s VAL 53 N 2.36 4.96 0.50 10.11 1.01 0.17 -0.87 120.40 138.64 2pa2 s VAL 53 Ca 0.17 1.33 -0.23 0.00 0.00 0.00 0.00 61.98 63.26 2pa2 s VAL 53 Cb -0.18 -4.01 -0.06 0.00 0.00 0.00 0.00 36.38 32.13 2pa2 s VAL 53 CO 0.01 0.06 1.29 -0.55 0.00 0.00 0.00 175.10 175.91 2pa2 s SER 54 N 1.22 5.70 -0.03 3.32 0.15 0.10 0.16 113.70 124.33 2pa2 s SER 54 Ca 0.32 2.60 0.04 0.00 0.70 0.00 0.00 55.95 59.60 2pa2 s SER 54 Cb -0.16 -2.63 0.06 0.00 -1.71 0.00 0.00 66.02 61.58 2pa2 s SER 54 CO 0.10 -1.26 0.93 -0.67 1.20 0.00 0.00 173.24 173.54 2pa2 n ASP 55 N -0.70 1.50 -4.22 5.45 2.03 -1.02 0.36 116.55 119.95 2pa2 n ASP 55 Ca 0.08 -2.01 -0.13 0.00 0.52 0.00 0.00 54.79 53.25 2pa2 n ASP 55 Cb 0.46 -0.10 -0.10 0.00 -0.72 0.00 0.00 41.12 40.66 2pa2 n ASP 55 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2pa2 s GLU 56 N -1.09 1.00 -0.24 -0.67 2.56 -1.25 -4.78 118.70 114.23 2pa2 s GLU 56 Ca 0.06 -1.44 -0.05 0.00 0.00 0.00 0.00 54.97 53.55 2pa2 s GLU 56 Cb 0.06 -0.39 -0.00 0.00 2.00 0.00 0.00 34.13 35.79 2pa2 s GLU 56 CO 0.01 -0.01 -0.01 -0.47 -0.56 0.00 0.00 175.26 174.22 2pa2 s TYR 57 N -3.51 3.02 0.17 5.30 5.04 -1.26 -3.22 117.35 122.90 2pa2 s TYR 57 Ca 0.17 -0.94 -0.23 0.00 -2.44 0.00 0.00 57.07 53.63 2pa2 s TYR 57 Cb 0.04 -2.15 0.07 0.00 0.35 0.00 0.00 41.96 40.28 2pa2 s TYR 57 CO -0.00 -0.55 1.02 -1.83 -1.34 0.00 0.00 175.55 172.85 2pa2 s GLU 58 N 1.49 1.26 -0.17 4.97 -1.05 -0.21 -4.96 118.70 120.03 2pa2 s GLU 58 Ca 0.05 -0.78 -0.05 0.00 -0.15 0.00 0.00 54.97 54.04 2pa2 s GLU 58 Cb -0.15 0.38 -0.03 0.00 -0.44 0.00 0.00 34.13 33.88 2pa2 s GLU 58 CO -0.01 -0.59 0.01 -0.65 0.95 0.00 0.00 175.26 174.96 2pa2 s GLN 59 N -2.53 3.80 -0.11 -4.83 1.11 -1.26 0.92 119.66 116.77 2pa2 s GLN 59 Ca 0.18 -0.44 0.02 0.00 0.01 0.00 0.00 55.36 55.13 2pa2 s GLN 59 Cb -0.02 -3.04 -0.01 0.00 -1.01 0.00 0.00 33.01 28.92 2pa2 s GLN 59 CO 0.04 0.25 -0.17 -0.51 0.01 0.00 0.00 175.29 174.92 2pa2 s LEU 60 N 0.37 2.53 0.57 2.90 1.43 0.30 -4.89 118.68 121.89 2pa2 s LEU 60 Ca -0.01 -0.38 -0.17 0.00 -1.03 0.00 0.00 54.13 52.54 2pa2 s LEU 60 Cb -0.13 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 2pa2 s LEU 60 CO 0.02 0.19 1.07 -0.94 0.23 0.00 0.00 176.35 176.91 2pa2 s SER 61 N 0.21 5.80 0.37 2.29 1.04 -1.26 -0.69 113.70 121.45 2pa2 s SER 61 Ca -0.10 1.90 0.26 0.00 0.48 0.00 0.00 55.95 58.50 2pa2 s SER 61 Cb -0.16 -2.55 1.30 0.00 0.10 0.00 0.00 66.02 64.71 2pa2 s SER 61 CO 0.06 -1.15 1.80 0.28 0.98 0.00 0.00 173.24 175.21 2pa2 h SER 62 N 0.70 0.00 0.01 7.02 0.02 -1.69 -1.35 113.55 118.26 2pa2 h SER 62 Ca -0.48 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.47 2pa2 h SER 62 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2pa2 h SER 62 CO 0.57 0.00 -0.01 -0.33 -1.14 0.00 0.00 176.83 175.93 2pa2 h GLU 63 N 0.00 -0.02 -0.71 3.45 3.07 -1.91 -2.09 114.58 116.38 2pa2 h GLU 63 Ca 0.00 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.80 2pa2 h GLU 63 Cb 0.17 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.05 2pa2 h GLU 63 CO 0.00 0.73 0.21 0.00 -1.40 0.00 0.00 179.01 178.55 2pa2 h ALA 64 N 0.14 0.93 -0.96 3.43 0.00 -1.75 -0.15 119.26 120.89 2pa2 h ALA 64 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2pa2 h ALA 64 Cb 0.75 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 2pa2 h ALA 64 CO 0.00 0.62 0.61 1.25 0.00 0.00 0.00 179.25 181.73 2pa2 h LEU 65 N 1.05 1.13 0.01 0.00 5.85 -1.33 -0.19 115.31 121.84 2pa2 h LEU 65 Ca 0.23 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 2pa2 h LEU 65 Cb 0.32 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2pa2 h LEU 65 CO -0.00 0.85 -0.01 -0.33 -0.34 0.00 0.00 178.44 178.60 2pa2 h GLU 66 N 1.32 -0.02 -0.53 1.25 4.39 -1.05 -2.39 114.58 117.55 2pa2 h GLU 66 Ca 0.35 0.00 0.07 0.00 0.34 0.00 0.00 59.36 60.12 2pa2 h GLU 66 Cb -0.11 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 28.45 2pa2 h GLU 66 CO -0.07 0.57 -0.53 0.00 -1.16 0.00 0.00 179.01 177.82 2pa2 h ALA 67 N 0.35 -0.62 -1.00 3.43 0.00 -0.76 0.61 119.26 121.27 2pa2 h ALA 67 Ca -0.00 0.05 0.20 0.00 0.00 0.00 0.00 54.91 55.15 2pa2 h ALA 67 Cb 0.60 1.11 -0.10 0.00 0.00 0.00 0.00 17.79 19.40 2pa2 h ALA 67 CO 0.00 -0.98 0.61 0.00 0.00 0.00 0.00 179.25 178.89 2pa2 h ALA 68 N 0.22 1.77 -0.23 0.00 0.00 -1.07 0.27 119.26 120.22 2pa2 h ALA 68 Ca 0.11 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 2pa2 h ALA 68 Cb 0.56 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2pa2 h ALA 68 CO -0.67 -0.14 -0.41 -0.09 0.00 0.00 0.00 179.25 177.95 2pa2 h ARG 69 N 0.70 0.68 0.54 0.00 2.43 0.41 -1.51 114.38 117.63 2pa2 h ARG 69 Ca 0.57 -0.43 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 2pa2 h ARG 69 Cb 0.97 0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.57 2pa2 h ARG 69 CO -0.35 1.05 -0.26 0.82 -1.51 0.00 0.00 179.97 179.71 2pa2 h ILE 70 N 0.39 0.46 -0.47 1.20 1.08 0.12 0.12 117.51 120.42 2pa2 h ILE 70 Ca 0.01 -0.09 0.09 0.00 -0.39 0.00 0.00 64.86 64.49 2pa2 h ILE 70 Cb 1.01 0.50 -0.10 0.00 -3.07 0.00 0.00 36.82 35.16 2pa2 h ILE 70 CO 0.09 0.01 -0.23 0.00 -0.69 0.00 0.00 178.15 177.34 2pa2 h ALA 72 N 1.15 0.83 -0.72 0.00 0.00 -1.17 -2.82 119.26 116.54 2pa2 h ALA 72 Ca 0.22 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2pa2 h ALA 72 Cb 0.47 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2pa2 h ALA 72 CO -0.55 0.66 0.23 -0.97 0.00 0.00 0.00 179.25 178.62 2pa2 h ASN 73 N 0.87 1.04 -0.73 0.00 -0.00 0.16 -1.81 115.58 115.11 2pa2 h ASN 73 Ca 0.14 -0.21 -0.03 0.00 -0.00 0.00 0.00 56.30 56.20 2pa2 h ASN 73 Cb 0.65 -0.27 -0.03 0.00 -0.00 0.00 0.00 38.32 38.66 2pa2 h ASN 73 CO 0.04 0.97 0.35 0.11 -0.00 0.00 0.00 177.43 178.90 2pa2 h LYS 74 N 1.06 1.06 -0.04 6.67 1.57 -0.77 -0.69 116.57 125.43 2pa2 h LYS 74 Ca 0.23 -0.16 -0.16 0.00 -1.87 0.00 0.00 60.65 58.69 2pa2 h LYS 74 Cb 0.30 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 2pa2 h LYS 74 CO -0.01 0.84 -0.67 -0.92 -0.57 0.00 0.00 179.45 178.12 2pa2 h TYR 75 N 1.03 0.25 -0.30 -1.35 3.20 -1.31 -2.53 116.97 115.96 2pa2 h TYR 75 Ca 0.25 -0.10 -0.15 0.00 3.14 0.00 0.00 58.73 61.87 2pa2 h TYR 75 Cb 0.13 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 2pa2 h TYR 75 CO 0.01 0.80 -0.42 0.52 -1.64 0.00 0.00 178.16 177.43 2pa2 h MET 76 N 0.13 0.74 0.03 1.82 2.86 -1.00 -1.43 114.93 118.08 2pa2 h MET 76 Ca -0.01 -0.40 -0.00 0.00 -2.06 0.00 0.00 59.70 57.22 2pa2 h MET 76 Cb 1.21 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.88 2pa2 h MET 76 CO 0.10 1.02 -0.01 -0.39 1.06 0.00 0.00 176.91 178.69 2pa2 h VAL 77 N 0.60 1.21 0.00 -2.22 -1.51 -1.05 0.36 116.25 113.65 2pa2 h VAL 77 Ca 0.04 -0.78 -0.05 0.00 -1.23 0.00 0.00 66.70 64.69 2pa2 h VAL 77 Cb 0.98 1.73 -0.01 0.00 -2.13 0.00 0.00 31.29 31.86 2pa2 h VAL 77 CO 0.09 0.20 -0.22 0.07 -1.23 0.00 0.00 177.57 176.48 2pa2 h LYS 78 N -0.38 0.00 0.00 5.19 2.10 -1.49 0.44 116.57 122.42 2pa2 h LYS 78 Ca -0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 2pa2 h LYS 78 Cb 0.36 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.68 2pa2 h LYS 78 CO 0.01 0.22 -1.92 -1.13 -2.00 0.00 0.00 179.45 174.62 2pa2 n SER 79 N -3.59 0.09 0.00 7.07 3.41 -0.54 -4.66 113.62 115.40 2pa2 n SER 79 Ca -0.01 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 2pa2 n SER 79 Cb 0.35 1.75 0.00 0.00 -0.26 0.00 0.00 64.21 66.06 2pa2 n SER 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pa2 n GLY 81 N 0.44 -0.18 0.40 0.00 0.00 0.15 -3.99 105.19 102.00 2pa2 n GLY 81 Ca 0.00 -1.24 0.13 0.00 0.00 0.00 0.00 46.02 44.91 2pa2 n GLY 81 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2pa2 n LYS 82 N 1.60 0.02 -0.11 1.61 4.81 -1.24 0.98 118.16 125.82 2pa2 n LYS 82 Ca 0.00 0.90 0.07 0.00 -0.87 0.00 0.00 58.31 58.41 2pa2 n LYS 82 Cb 0.00 -2.33 0.10 0.00 0.02 0.00 0.00 35.03 32.83 2pa2 n LYS 82 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2pa2 n ASP 83 N -2.71 1.98 -0.92 3.14 9.92 -1.26 -4.68 116.55 122.01 2pa2 n ASP 83 Ca 0.11 -2.79 0.11 0.00 -0.53 0.00 0.00 54.79 51.69 2pa2 n ASP 83 Cb 1.17 -0.34 0.27 0.00 -0.64 0.00 0.00 41.12 41.57 2pa2 n ASP 83 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2pa2 n GLY 84 N -1.13 1.20 3.78 0.44 0.00 0.28 -4.96 105.19 104.80 2pa2 n GLY 84 Ca 0.12 -0.60 -0.08 0.00 0.00 0.00 0.00 46.02 45.46 2pa2 n GLY 84 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2pa2 s PHE 85 N -1.56 -0.09 -0.08 1.61 -0.12 -1.26 -4.35 117.98 112.14 2pa2 s PHE 85 Ca 0.36 -0.34 0.00 0.00 -0.05 0.00 0.00 56.93 56.91 2pa2 s PHE 85 Cb 0.20 0.60 0.02 0.00 -0.63 0.00 0.00 43.02 43.21 2pa2 s PHE 85 CO 0.28 -1.17 -0.07 -1.58 -0.05 0.00 0.00 175.22 172.64 2pa2 s HIS 86 N -3.93 1.17 0.05 3.49 5.65 -0.57 -4.99 115.29 116.15 2pa2 s HIS 86 Ca 0.13 -0.47 0.08 0.00 0.25 0.00 0.00 55.06 55.05 2pa2 s HIS 86 Cb -0.05 -0.99 -0.03 0.00 -1.18 0.00 0.00 32.58 30.34 2pa2 s HIS 86 CO 0.06 -0.35 -0.23 -1.50 -0.65 0.00 0.00 174.74 172.07 2pa2 s ILE 87 N 1.31 1.88 -0.23 0.89 2.07 -1.26 -1.22 121.20 124.64 2pa2 s ILE 87 Ca -0.04 -1.31 -0.12 0.00 -1.41 0.00 0.00 60.65 57.77 2pa2 s ILE 87 Cb -0.14 -1.63 0.07 0.00 0.13 0.00 0.00 42.46 40.90 2pa2 s ILE 87 CO -0.03 0.25 0.55 -0.60 -1.91 0.00 0.00 174.94 173.20 2pa2 s ARG 88 N -1.28 0.54 0.02 3.50 3.52 -0.58 -5.02 118.95 119.65 2pa2 s ARG 88 Ca 0.09 1.03 -0.30 0.00 -0.13 0.00 0.00 55.73 56.42 2pa2 s ARG 88 Cb -0.09 0.11 -0.04 0.00 -1.56 0.00 0.00 34.95 33.37 2pa2 s ARG 88 CO 0.02 -0.16 1.02 0.08 -0.81 0.00 0.00 175.30 175.45 2pa2 s VAL 89 N 1.64 4.68 -0.33 7.11 1.01 -1.26 -1.72 120.40 131.53 2pa2 s VAL 89 Ca -0.09 1.94 0.08 0.00 0.00 0.00 0.00 61.98 63.90 2pa2 s VAL 89 Cb -0.07 -4.24 0.55 0.00 0.00 0.00 0.00 36.38 32.62 2pa2 s VAL 89 CO -0.16 0.16 1.59 0.54 0.00 0.00 0.00 175.10 177.22 2pa2 n ARG 90 N 3.85 2.01 -4.29 2.72 1.74 -0.09 -4.97 116.66 117.64 2pa2 n ARG 90 Ca 0.06 -3.14 -0.24 0.00 -0.77 0.00 0.00 57.85 53.77 2pa2 n ARG 90 Cb 0.50 -1.92 -0.07 0.00 -1.02 0.00 0.00 32.46 29.95 2pa2 n ARG 90 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2pa2 s LEU 91 N -3.25 3.19 -0.01 0.55 1.43 -1.25 -4.92 118.68 114.42 2pa2 s LEU 91 Ca 0.48 -0.61 -0.10 0.00 -1.03 0.00 0.00 54.13 52.86 2pa2 s LEU 91 Cb 0.42 -1.74 0.01 0.00 0.03 0.00 0.00 46.19 44.92 2pa2 s LEU 91 CO 0.03 0.02 0.21 -1.00 0.23 0.00 0.00 176.35 175.84 2pa2 s HIS 92 N -2.21 -0.06 0.32 0.29 3.76 -1.26 -4.23 115.29 111.90 2pa2 s HIS 92 Ca 0.30 0.07 -0.26 0.00 -0.15 0.00 0.00 55.06 55.02 2pa2 s HIS 92 Cb -0.07 0.02 -0.10 0.00 1.11 0.00 0.00 32.58 33.54 2pa2 s HIS 92 CO 0.19 -0.32 0.95 -1.25 -0.85 0.00 0.00 174.74 173.47 2pa2 s PRO 93 N -1.26 4.58 -0.31 8.40 0.04 -1.26 -4.38 135.00 140.80 2pa2 s PRO 93 Ca -0.13 1.36 0.02 0.00 0.04 0.00 0.00 61.00 62.29 2pa2 s PRO 93 Cb -0.06 -2.82 0.16 0.00 0.04 0.00 0.00 34.50 31.81 2pa2 s PRO 93 CO 0.02 0.27 0.39 0.12 0.04 0.00 0.00 177.00 177.84 2pa2 s PHE 94 N -1.58 -0.83 0.11 0.56 5.36 -1.26 -4.55 117.98 115.78 2pa2 s PHE 94 Ca 0.50 0.05 0.01 0.00 -0.96 0.00 0.00 56.93 56.53 2pa2 s PHE 94 Cb -0.20 -0.23 0.01 0.00 -0.34 0.00 0.00 43.02 42.27 2pa2 s PHE 94 CO 0.25 -0.98 0.12 0.41 -1.46 0.00 0.00 175.22 173.55 2pa2 n GLY 124 N 5.13 2.54 2.74 13.12 0.00 -1.26 -5.10 105.19 122.37 2pa2 n GLY 124 Ca 0.02 -2.18 -0.09 0.00 0.00 0.00 0.00 46.02 43.77 2pa2 n GLY 124 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2pa2 n THR 125 N -0.97 0.00 -4.39 2.61 -2.24 -1.26 -5.05 114.28 102.98 2pa2 n THR 125 Ca 0.01 -1.11 -0.26 0.00 -2.27 0.00 0.00 64.05 60.42 2pa2 n THR 125 Cb 0.12 0.81 -0.13 0.00 -2.10 0.00 0.00 70.33 69.04 2pa2 n THR 125 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2pa2 s VAL 126 N -2.55 1.88 -0.03 2.28 1.01 -1.26 -1.79 120.40 119.94 2pa2 s VAL 126 Ca 0.18 -1.55 0.04 0.00 0.00 0.00 0.00 61.98 60.65 2pa2 s VAL 126 Cb -0.02 -1.68 -0.00 0.00 0.00 0.00 0.00 36.38 34.67 2pa2 s VAL 126 CO 0.13 0.04 -0.14 0.00 0.00 0.00 0.00 175.10 175.13 2pa2 s ALA 127 N -1.07 1.25 0.21 5.51 0.00 0.13 -4.20 121.76 123.59 2pa2 s ALA 127 Ca 0.09 -0.56 -0.14 0.00 0.00 0.00 0.00 51.96 51.35 2pa2 s ALA 127 Cb -0.10 -0.41 -0.08 0.00 0.00 0.00 0.00 23.12 22.54 2pa2 s ALA 127 CO 0.04 0.23 0.61 0.50 0.00 0.00 0.00 175.76 177.14 2pa2 s ARG 128 N 0.03 3.97 0.02 0.00 3.52 -1.26 0.11 118.95 125.34 2pa2 s ARG 128 Ca -0.02 0.51 0.03 0.00 -0.13 0.00 0.00 55.73 56.13 2pa2 s ARG 128 Cb -0.10 -2.76 -0.02 0.00 -1.56 0.00 0.00 34.95 30.52 2pa2 s ARG 128 CO 0.01 0.37 -0.10 0.08 -0.81 0.00 0.00 175.30 174.85 2pa2 s VAL 129 N -1.66 0.74 0.39 7.11 1.01 0.26 -4.88 120.40 123.37 2pa2 s VAL 129 Ca 0.44 -0.76 0.08 0.00 0.00 0.00 0.00 61.98 61.73 2pa2 s VAL 129 Cb -0.13 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 2pa2 s VAL 129 CO 0.20 -0.05 0.21 -1.00 0.00 0.00 0.00 175.10 174.46 2pa2 s HIS 130 N -0.75 2.67 0.06 5.22 3.76 -1.25 -1.04 115.29 123.96 2pa2 s HIS 130 Ca -0.01 -0.49 -0.31 0.00 -0.15 0.00 0.00 55.06 54.10 2pa2 s HIS 130 Cb -0.07 -1.89 -0.06 0.00 1.11 0.00 0.00 32.58 31.67 2pa2 s HIS 130 CO 0.00 0.17 1.21 0.42 -0.85 0.00 0.00 174.74 175.69 2pa2 s ILE 131 N -2.51 4.00 0.00 0.60 1.01 -1.20 -2.54 121.20 120.57 2pa2 s ILE 131 Ca 0.41 1.44 0.00 0.00 0.00 0.00 0.00 60.65 62.50 2pa2 s ILE 131 Cb 0.00 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.55 2pa2 s ILE 131 CO 0.24 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.90 2pa2 n GLY 132 N 3.23 0.83 3.76 6.18 0.00 0.16 -4.97 105.19 114.37 2pa2 n GLY 132 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 2pa2 n GLY 132 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2pa2 s GLN 133 N -0.33 4.33 0.03 1.61 0.74 -1.05 -4.73 119.66 120.25 2pa2 s GLN 133 Ca 0.00 0.73 -0.30 0.00 0.05 0.00 0.00 55.36 55.84 2pa2 s GLN 133 Cb 0.00 -3.36 -0.06 0.00 1.10 0.00 0.00 33.01 30.69 2pa2 s GLN 133 CO 0.00 0.33 1.47 0.08 -0.55 0.00 0.00 175.29 176.62 2pa2 s VAL 134 N -0.06 3.49 -0.17 1.34 1.01 -1.26 0.02 120.40 124.76 2pa2 s VAL 134 Ca 0.31 0.92 -0.18 0.00 0.00 0.00 0.00 61.98 63.03 2pa2 s VAL 134 Cb -0.18 -3.59 -0.22 0.00 0.00 0.00 0.00 36.38 32.39 2pa2 s VAL 134 CO 0.17 0.01 0.32 0.40 0.00 0.00 0.00 175.10 175.99 2pa2 h ILE 135 N 4.81 0.92 -2.91 2.22 2.04 -1.36 -3.44 117.51 119.79 2pa2 h ILE 135 Ca -0.40 -2.25 -0.06 0.00 1.00 0.00 0.00 64.86 63.16 2pa2 h ILE 135 Cb 1.19 2.40 -0.15 0.00 -0.74 0.00 0.00 36.82 39.52 2pa2 h ILE 135 CO 0.91 0.49 0.03 0.00 0.00 0.00 0.00 178.15 179.58 2pa2 s MET 136 N -2.41 1.06 0.07 2.37 0.23 -1.25 -0.91 119.30 118.47 2pa2 s MET 136 Ca -0.26 -0.34 0.03 0.00 -1.03 0.00 0.00 55.69 54.09 2pa2 s MET 136 Cb 0.05 0.48 -0.03 0.00 -1.53 0.00 0.00 34.83 33.81 2pa2 s MET 136 CO 0.65 -0.40 -0.10 -1.12 -2.03 0.00 0.00 175.02 172.03 2pa2 s SER 137 N -2.19 1.21 -0.02 -1.18 0.01 -0.70 -1.52 113.70 109.31 2pa2 s SER 137 Ca -0.03 -0.68 0.03 0.00 1.31 0.00 0.00 55.95 56.58 2pa2 s SER 137 Cb -0.00 0.02 -0.00 0.00 0.21 0.00 0.00 66.02 66.24 2pa2 s SER 137 CO -0.05 -0.22 -0.12 -0.63 0.41 0.00 0.00 173.24 172.64 2pa2 s ILE 138 N -1.85 0.96 -0.01 1.44 1.01 -0.46 -1.53 121.20 120.77 2pa2 s ILE 138 Ca -0.02 -0.48 0.05 0.00 0.00 0.00 0.00 60.65 60.20 2pa2 s ILE 138 Cb -0.07 -0.83 -0.01 0.00 0.01 0.00 0.00 42.46 41.56 2pa2 s ILE 138 CO 0.00 0.28 -0.17 0.00 0.00 0.00 0.00 174.94 175.05 2pa2 s ARG 139 N -0.03 1.38 0.00 2.79 1.70 -0.35 -0.54 118.95 123.89 2pa2 s ARG 139 Ca 0.00 -0.65 0.00 0.00 -0.47 0.00 0.00 55.73 54.61 2pa2 s ARG 139 Cb -0.07 -1.35 0.00 0.00 -0.57 0.00 0.00 34.95 32.96 2pa2 s ARG 139 CO 0.00 0.37 0.00 -2.37 -1.08 0.00 0.00 175.30 172.22 2pa2 n THR 140 N 2.55 0.00 -2.50 4.99 5.66 -0.11 -1.51 114.28 123.35 2pa2 n THR 140 Ca -0.15 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.52 2pa2 n THR 140 Cb 0.54 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.28 2pa2 n THR 140 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2pa2 s LYS 141 N -1.79 3.92 0.48 1.09 1.02 -1.26 -1.13 119.74 122.06 2pa2 s LYS 141 Ca 0.00 1.12 0.26 0.00 0.02 0.00 0.00 55.97 57.36 2pa2 s LYS 141 Cb 0.00 -2.13 1.30 0.00 -0.52 0.00 0.00 37.83 36.49 2pa2 s LYS 141 CO 0.00 -0.30 1.85 -0.07 -0.92 0.00 0.00 175.35 175.91 2pa2 h LEU 142 N 1.27 0.20 -0.81 3.17 3.38 -1.93 -1.72 115.31 118.87 2pa2 h LEU 142 Ca -0.48 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.46 2pa2 h LEU 142 Cb 1.19 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 2pa2 h LEU 142 CO 0.60 0.06 0.26 1.56 0.09 0.00 0.00 178.44 181.02 2pa2 h GLN 143 N 0.19 1.14 -0.10 1.13 7.50 -2.01 -2.98 115.11 119.99 2pa2 h GLN 143 Ca 0.48 -0.23 0.00 0.00 0.50 0.00 0.00 58.65 59.40 2pa2 h GLN 143 Cb 1.56 -0.18 0.00 0.00 0.05 0.00 0.00 27.48 28.92 2pa2 h GLN 143 CO -0.11 0.95 0.00 0.09 -1.50 0.00 0.00 178.83 178.27 2pa2 n ASN 144 N -4.26 0.10 -0.32 1.46 3.02 -0.65 -4.34 115.26 110.27 2pa2 n ASN 144 Ca 0.06 -1.95 0.17 0.00 -0.03 0.00 0.00 54.58 52.83 2pa2 n ASN 144 Cb 0.21 -0.05 0.37 0.00 -0.61 0.00 0.00 39.78 39.70 2pa2 n ASN 144 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2pa2 h LYS 145 N 0.00 0.30 -0.22 3.52 3.11 -1.63 0.20 116.57 121.86 2pa2 h LYS 145 Ca 0.00 -0.02 -0.09 0.00 -2.81 0.00 0.00 60.65 57.73 2pa2 h LYS 145 Cb 0.05 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.20 2pa2 h LYS 145 CO 0.00 0.20 -0.27 0.93 -2.81 0.00 0.00 179.45 177.50 2pa2 h GLU 146 N 0.31 0.42 -0.09 1.90 5.08 -1.88 -2.68 114.58 117.64 2pa2 h GLU 146 Ca 0.63 -0.16 -0.12 0.00 -1.00 0.00 0.00 59.36 58.72 2pa2 h GLU 146 Cb 1.32 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 2pa2 h GLU 146 CO -0.61 0.65 -0.47 0.45 -1.00 0.00 0.00 179.01 178.04 2pa2 h HIS 147 N 0.37 0.25 -0.34 4.33 3.86 -0.95 -1.85 115.15 120.82 2pa2 h HIS 147 Ca 0.05 -0.08 -0.08 0.00 -1.16 0.00 0.00 60.37 59.11 2pa2 h HIS 147 Cb 0.67 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 29.07 2pa2 h HIS 147 CO 0.02 0.65 -0.10 0.28 0.86 0.00 0.00 177.93 179.63 2pa2 h VAL 148 N 0.17 1.28 -0.25 2.45 2.07 -1.10 0.74 116.25 121.61 2pa2 h VAL 148 Ca 0.01 -1.18 -0.02 0.00 0.82 0.00 0.00 66.70 66.34 2pa2 h VAL 148 Cb 0.90 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 2pa2 h VAL 148 CO 0.07 0.38 0.09 0.40 0.02 0.00 0.00 177.57 178.54 2pa2 h ILE 149 N 0.45 1.17 -0.51 4.57 2.04 -1.36 -1.48 117.51 122.40 2pa2 h ILE 149 Ca 0.08 -0.53 -0.06 0.00 1.00 0.00 0.00 64.86 65.35 2pa2 h ILE 149 Cb 0.61 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 2pa2 h ILE 149 CO 0.04 0.18 0.08 -0.08 0.00 0.00 0.00 178.15 178.37 2pa2 h GLU 150 N 0.24 0.80 0.20 2.37 4.57 -1.24 0.72 114.58 122.25 2pa2 h GLU 150 Ca 0.08 -0.18 -0.01 0.00 -1.18 0.00 0.00 59.36 58.07 2pa2 h GLU 150 Cb 0.19 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 2pa2 h GLU 150 CO -0.01 0.76 -0.10 0.00 -1.18 0.00 0.00 179.01 178.48 2pa2 h ALA 151 N 1.32 -0.27 -0.15 2.92 0.00 -0.54 -2.31 119.26 120.23 2pa2 h ALA 151 Ca 0.16 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 2pa2 h ALA 151 Cb 0.35 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2pa2 h ALA 151 CO 0.01 -0.60 -0.28 -0.07 0.00 0.00 0.00 179.25 178.30 2pa2 h LEU 152 N -0.38 0.28 -1.08 0.00 3.38 -1.16 -1.79 115.31 114.56 2pa2 h LEU 152 Ca -0.03 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 2pa2 h LEU 152 Cb 0.29 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2pa2 h LEU 152 CO 0.05 0.57 -0.13 -0.09 0.09 0.00 0.00 178.44 178.92 2pa2 h ARG 153 N 0.25 0.50 0.18 1.13 2.43 -0.69 -2.01 114.38 116.17 2pa2 h ARG 153 Ca 0.04 -0.15 -0.31 0.00 -0.81 0.00 0.00 59.98 58.75 2pa2 h ARG 153 Cb 0.64 -0.05 0.02 0.00 -0.42 0.00 0.00 29.97 30.15 2pa2 h ARG 153 CO 0.05 0.63 -1.44 0.00 -1.51 0.00 0.00 179.97 177.70 2pa2 h ARG 154 N 0.46 0.38 -0.93 0.20 3.08 -1.21 -3.32 114.38 113.04 2pa2 h ARG 154 Ca 0.08 -0.66 -0.00 0.00 0.07 0.00 0.00 59.98 59.48 2pa2 h ARG 154 Cb 0.51 0.24 -0.05 0.00 0.08 0.00 0.00 29.97 30.76 2pa2 h ARG 154 CO 0.03 1.30 0.57 0.00 -1.07 0.00 0.00 179.97 180.80 2pa2 h ALA 155 N 0.36 1.19 0.00 0.04 0.00 -1.20 -2.14 119.26 117.51 2pa2 h ALA 155 Ca -0.22 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2pa2 h ALA 155 Cb 2.07 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.48 2pa2 h ALA 155 CO 0.22 0.64 0.01 0.36 0.00 0.00 0.00 179.25 180.48 2pa2 n LYS 156 N -4.38 0.00 0.17 0.00 2.85 -0.77 -0.80 118.16 115.23 2pa2 n LYS 156 Ca 0.10 0.18 0.09 0.00 -1.05 0.00 0.00 58.31 57.63 2pa2 n LYS 156 Cb 0.05 -1.51 0.09 0.00 -0.65 0.00 0.00 35.03 33.01 2pa2 n LYS 156 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 177.40 178.09 2pa2 h PHE 157 N 0.00 0.00 0.00 5.58 -1.00 -1.58 -3.18 116.94 116.76 2pa2 h PHE 157 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2pa2 h PHE 157 Cb 0.02 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.58 2pa2 h PHE 157 CO 0.00 0.16 0.00 1.63 -1.61 0.00 0.00 178.31 178.49 2pa2 n LYS 158 N -3.03 0.96 -4.33 1.51 4.01 0.02 -4.75 118.16 112.55 2pa2 n LYS 158 Ca 0.02 0.00 -0.20 0.00 -0.51 0.00 0.00 58.31 57.62 2pa2 n LYS 158 Cb 0.60 -1.21 -0.16 0.00 -0.51 0.00 0.00 35.03 33.76 2pa2 n LYS 158 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 2pa2 s PHE 159 N -2.00 0.88 0.91 2.13 0.08 -1.20 -4.72 117.98 114.05 2pa2 s PHE 159 Ca 0.20 -0.23 -0.12 0.00 0.12 0.00 0.00 56.93 56.89 2pa2 s PHE 159 Cb 0.09 -0.65 0.14 0.00 -0.57 0.00 0.00 43.02 42.02 2pa2 s PHE 159 CO 0.15 -0.12 1.14 -1.25 -0.10 0.00 0.00 175.22 175.05 2pa2 s PRO 160 N 0.32 1.16 0.58 0.24 0.04 -1.26 -4.88 135.00 131.20 2pa2 s PRO 160 Ca -0.05 0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.25 2pa2 s PRO 160 Cb -0.09 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.60 2pa2 s PRO 160 CO 0.00 -2.18 0.00 0.41 0.04 0.00 0.00 177.00 175.28 2pa2 n GLY 161 N -2.32 -1.93 3.90 0.56 0.00 -1.26 -4.90 105.19 99.24 2pa2 n GLY 161 Ca 0.07 -1.33 -0.28 0.00 0.00 0.00 0.00 46.02 44.48 2pa2 n GLY 161 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pa2 s ARG 162 N -1.02 3.63 -0.11 1.61 0.52 -1.26 -5.04 118.95 117.29 2pa2 s ARG 162 Ca 0.00 0.12 -0.09 0.00 -0.52 0.00 0.00 55.73 55.25 2pa2 s ARG 162 Cb 0.00 -2.53 0.03 0.00 0.52 0.00 0.00 34.95 32.97 2pa2 s ARG 162 CO 0.00 0.06 0.27 -0.65 0.02 0.00 0.00 175.30 175.00 2pa2 s GLN 163 N -3.95 0.30 0.19 3.54 1.11 -1.26 -2.44 119.66 117.14 2pa2 s GLN 163 Ca 0.46 0.44 0.08 0.00 0.01 0.00 0.00 55.36 56.34 2pa2 s GLN 163 Cb -0.10 0.08 -0.04 0.00 -1.01 0.00 0.00 33.01 31.94 2pa2 s GLN 163 CO 0.34 -0.07 0.00 0.15 0.01 0.00 0.00 175.29 175.72 2pa2 s LYS 164 N 0.46 2.41 -0.15 2.91 1.02 0.12 -4.94 119.74 121.57 2pa2 s LYS 164 Ca -0.03 -1.14 -0.01 0.00 0.02 0.00 0.00 55.97 54.82 2pa2 s LYS 164 Cb -0.04 -2.34 -0.01 0.00 -0.52 0.00 0.00 37.83 34.91 2pa2 s LYS 164 CO -0.02 0.44 -0.11 0.42 -0.92 0.00 0.00 175.35 175.16 2pa2 s ILE 165 N -1.80 3.11 -0.07 2.17 1.01 -1.26 0.45 121.20 124.81 2pa2 s ILE 165 Ca 0.28 -0.62 0.04 0.00 0.00 0.00 0.00 60.65 60.35 2pa2 s ILE 165 Cb -0.09 -2.34 0.00 0.00 0.01 0.00 0.00 42.46 40.05 2pa2 s ILE 165 CO 0.19 0.50 -0.20 -2.28 0.00 0.00 0.00 174.94 173.15 2pa2 s HIS 166 N 0.66 2.12 -0.10 3.97 2.46 0.23 -4.96 115.29 119.66 2pa2 s HIS 166 Ca -0.06 -0.76 -0.01 0.00 0.47 0.00 0.00 55.06 54.70 2pa2 s HIS 166 Cb -0.15 -1.43 -0.03 0.00 -0.13 0.00 0.00 32.58 30.84 2pa2 s HIS 166 CO 0.02 -0.30 -0.06 0.42 -2.47 0.00 0.00 174.74 172.35 2pa2 s ILE 167 N 0.26 3.72 0.35 0.89 -1.09 -1.26 0.62 121.20 124.68 2pa2 s ILE 167 Ca -0.12 -0.45 -0.14 0.00 -2.23 0.00 0.00 60.65 57.71 2pa2 s ILE 167 Cb -0.15 -2.56 0.03 0.00 -1.58 0.00 0.00 42.46 38.20 2pa2 s ILE 167 CO 0.05 0.56 0.69 -0.55 -1.23 0.00 0.00 174.94 174.47 2pa2 s SER 168 N -0.32 0.11 0.00 3.58 0.15 0.73 -5.01 113.70 112.94 2pa2 s SER 168 Ca 0.05 -1.09 0.19 0.00 0.70 0.00 0.00 55.95 55.80 2pa2 s SER 168 Cb -0.13 0.77 -0.19 0.00 -1.71 0.00 0.00 66.02 64.77 2pa2 s SER 168 CO 0.02 -1.51 0.83 2.29 1.20 0.00 0.00 173.24 176.07 2pa2 n LYS 169 N -0.51 0.76 -4.01 5.44 2.85 -1.26 -0.05 118.16 121.38 2pa2 n LYS 169 Ca -0.05 -0.10 -0.34 0.00 -1.05 0.00 0.00 58.31 56.77 2pa2 n LYS 169 Cb 0.60 -1.40 -0.06 0.00 -0.65 0.00 0.00 35.03 33.52 2pa2 n LYS 169 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2pa2 s LYS 170 N -2.75 3.26 0.03 -1.58 1.02 -1.26 -4.78 119.74 113.69 2pa2 s LYS 170 Ca 0.08 -0.35 0.14 0.00 0.02 0.00 0.00 55.97 55.86 2pa2 s LYS 170 Cb 0.15 -3.00 -0.17 0.00 -0.52 0.00 0.00 37.83 34.28 2pa2 s LYS 170 CO 0.76 0.69 0.83 2.35 -0.92 0.00 0.00 175.35 179.05 2pa2 h TRP 171 N 4.26 0.00 0.00 3.18 2.91 -1.96 -3.45 115.95 120.88 2pa2 h TRP 171 Ca -0.50 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.52 2pa2 h TRP 171 Cb 1.19 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.84 2pa2 h TRP 171 CO 0.67 0.78 0.00 0.41 -1.03 0.00 0.00 178.44 179.28 2pa2 n GLY 172 N 1.45 -1.91 3.48 2.65 0.00 -1.26 -5.08 105.19 104.52 2pa2 n GLY 172 Ca -0.11 -1.51 -0.10 0.00 0.00 0.00 0.00 46.02 44.30 2pa2 n GLY 172 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2pa2 s PHE 173 N -3.04 -0.44 0.14 1.61 -0.12 -1.26 -5.14 117.98 109.74 2pa2 s PHE 173 Ca 0.00 0.35 -0.30 0.00 -0.05 0.00 0.00 56.93 56.93 2pa2 s PHE 173 Cb 0.00 0.53 -0.07 0.00 -0.63 0.00 0.00 43.02 42.85 2pa2 s PHE 173 CO 0.00 -0.64 1.07 0.99 -0.05 0.00 0.00 175.22 176.59 2pa2 s THR 174 N -3.03 4.08 0.04 -4.49 2.01 -1.26 -5.03 115.64 107.95 2pa2 s THR 174 Ca 0.02 1.73 -0.08 0.00 0.31 0.00 0.00 61.69 63.67 2pa2 s THR 174 Cb -0.01 -4.11 -0.00 0.00 0.01 0.00 0.00 72.50 68.39 2pa2 s THR 174 CO -0.08 0.27 0.16 -1.59 -0.69 0.00 0.00 174.62 172.69 2pa2 s LYS 175 N -0.10 0.66 0.00 4.92 -2.85 -1.26 -5.34 119.74 115.76 2pa2 s LYS 175 Ca 0.50 -0.69 0.00 0.00 -1.00 0.00 0.00 55.97 54.78 2pa2 s LYS 175 Cb -0.28 0.27 0.00 0.00 -2.06 0.00 0.00 37.83 35.76 2pa2 s LYS 175 CO 0.33 -0.18 0.25 1.19 0.10 0.00 0.00 175.35 177.04