#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sul s LYS 2 N 0.00 3.20 -0.58 2.12 0.00 -1.26 -5.07 119.74 118.15 1sul s LYS 2 Ca 0.00 -0.72 -0.26 0.00 0.00 0.00 0.00 55.97 54.99 1sul s LYS 2 Cb 0.00 -2.86 0.04 0.00 0.00 0.00 0.00 37.83 35.01 1sul s LYS 2 CO 0.00 -0.22 1.05 0.08 0.00 0.00 0.00 175.35 176.26 1sul s VAL 3 N 1.40 4.21 -2.76 1.79 1.01 -1.26 -4.82 120.40 119.97 1sul s VAL 3 Ca 0.05 0.48 0.23 0.00 0.00 0.00 0.00 61.98 62.74 1sul s VAL 3 Cb -0.14 -4.64 0.16 0.00 0.00 0.00 0.00 36.38 31.76 1sul s VAL 3 CO -0.07 -1.25 1.21 0.35 0.00 0.00 0.00 175.10 175.34 1sul n THR 4 N 6.36 0.00 -3.63 3.92 -2.24 -1.26 -4.92 114.28 112.51 1sul n THR 4 Ca 0.04 -0.47 -0.05 0.00 -2.27 0.00 0.00 64.05 61.30 1sul n THR 4 Cb 0.48 1.45 -0.06 0.00 -2.10 0.00 0.00 70.33 70.10 1sul n THR 4 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1sul s LYS 5 N -1.99 0.62 -0.21 -0.78 2.20 -1.26 -4.99 119.74 113.33 1sul s LYS 5 Ca 0.26 1.17 -0.14 0.00 -0.36 0.00 0.00 55.97 56.89 1sul s LYS 5 Cb 0.19 0.27 0.06 0.00 -1.51 0.00 0.00 37.83 36.84 1sul s LYS 5 CO 0.32 -0.15 0.52 -1.54 -0.36 0.00 0.00 175.35 174.15 1sul s SER 6 N 1.85 -0.64 0.06 1.43 1.04 -1.26 -0.15 113.70 116.02 1sul s SER 6 Ca -0.09 1.11 -0.14 0.00 0.48 0.00 0.00 55.95 57.31 1sul s SER 6 Cb -0.06 1.03 0.02 0.00 0.10 0.00 0.00 66.02 67.11 1sul s SER 6 CO -0.19 -0.20 0.32 -1.83 0.98 0.00 0.00 173.24 172.31 1sul s GLU 7 N 1.11 0.86 0.42 4.02 -1.05 -0.82 -5.00 118.70 118.25 1sul s GLU 7 Ca -0.07 -0.57 -0.22 0.00 -0.15 0.00 0.00 54.97 53.96 1sul s GLU 7 Cb -0.06 0.37 -0.10 0.00 -0.44 0.00 0.00 34.13 33.91 1sul s GLU 7 CO -0.10 -0.29 1.00 -1.50 0.95 0.00 0.00 175.26 175.32 1sul s ILE 8 N -2.86 4.03 -0.08 1.83 2.07 -1.26 -0.78 121.20 124.15 1sul s ILE 8 Ca -0.03 1.39 -0.03 0.00 -1.41 0.00 0.00 60.65 60.58 1sul s ILE 8 Cb 0.00 -3.64 -0.04 0.00 0.13 0.00 0.00 42.46 38.92 1sul s ILE 8 CO -0.05 -0.15 -0.09 0.52 -1.91 0.00 0.00 174.94 173.26 1sul n VAL 9 N -0.41 0.43 -3.50 4.00 0.31 0.53 -4.82 118.33 114.86 1sul n VAL 9 Ca 0.06 -0.12 -0.10 0.00 -0.01 0.00 0.00 64.34 64.17 1sul n VAL 9 Cb 0.52 -1.35 -0.03 0.00 -0.91 0.00 0.00 33.84 32.07 1sul n VAL 9 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 1sul s ILE 10 N -2.14 0.00 -0.39 2.52 2.07 -1.22 -5.01 121.20 117.02 1sul s ILE 10 Ca -0.11 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.11 1sul s ILE 10 Cb 0.04 -1.00 0.10 0.00 0.13 0.00 0.00 42.46 41.73 1sul s ILE 10 CO 0.15 0.00 0.16 -0.44 -1.91 0.00 0.00 174.94 172.89 1sul s SER 11 N -2.26 5.16 0.10 4.50 0.01 -1.26 -1.44 113.70 118.51 1sul s SER 11 Ca 0.02 -1.92 0.02 0.00 1.31 0.00 0.00 55.95 55.39 1sul s SER 11 Cb -0.01 -1.79 -0.04 0.00 0.21 0.00 0.00 66.02 64.39 1sul s SER 11 CO -0.07 -0.48 0.16 0.00 0.41 0.00 0.00 173.24 173.25 1sul s ALA 12 N 1.14 3.76 -0.03 1.44 0.00 0.08 -4.88 121.76 123.27 1sul s ALA 12 Ca 0.06 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 51.04 1sul s ALA 12 Cb -0.22 -1.59 -0.01 0.00 0.00 0.00 0.00 23.12 21.30 1sul s ALA 12 CO -0.04 0.71 0.05 1.33 0.00 0.00 0.00 175.76 177.81 1sul n VAL 13 N 0.14 0.00 -3.75 0.00 0.24 -1.26 -0.82 118.33 112.88 1sul n VAL 13 Ca -0.07 -0.49 -0.10 0.00 -2.04 0.00 0.00 64.34 61.64 1sul n VAL 13 Cb 0.52 1.00 -0.06 0.00 -1.47 0.00 0.00 33.84 33.84 1sul n VAL 13 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1sul s LYS 14 N -1.00 1.04 0.40 7.34 1.02 -1.26 -4.91 119.74 122.37 1sul s LYS 14 Ca 0.00 -0.86 0.12 0.00 0.02 0.00 0.00 55.97 55.26 1sul s LYS 14 Cb 0.00 0.42 0.94 0.00 -0.52 0.00 0.00 37.83 38.68 1sul s LYS 14 CO 0.02 -0.39 1.92 -1.35 -0.92 0.00 0.00 175.35 174.64 1sul h PRO 15 N 2.49 0.52 -0.05 -1.68 0.11 -1.98 -1.60 132.00 129.81 1sul h PRO 15 Ca -0.33 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.76 1sul h PRO 15 Cb 1.24 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1sul h PRO 15 CO 0.49 0.35 0.07 0.93 -0.21 0.00 0.00 178.00 179.63 1sul h GLU 16 N 0.54 0.00 -0.02 1.05 3.07 -2.03 -1.91 114.58 115.29 1sul h GLU 16 Ca 0.36 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.22 1sul h GLU 16 Cb 0.66 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.57 1sul h GLU 16 CO -0.13 0.00 -0.26 1.04 -1.40 0.00 0.00 179.01 178.26 1sul n GLN 17 N -3.57 1.50 -2.29 2.33 6.02 -0.60 -4.95 117.38 115.82 1sul n GLN 17 Ca -0.02 -1.16 -0.37 0.00 -0.01 0.00 0.00 57.00 55.44 1sul n GLN 17 Cb 0.16 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 29.93 1sul n GLN 17 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1sul s TYR 18 N -2.30 2.98 0.71 1.08 4.12 -0.72 -4.81 117.35 118.41 1sul s TYR 18 Ca 0.24 1.55 -0.15 0.00 0.02 0.00 0.00 57.07 58.73 1sul s TYR 18 Cb 0.19 -3.37 0.03 0.00 -1.52 0.00 0.00 41.96 37.29 1sul s TYR 18 CO 0.46 -1.37 1.16 -2.14 0.02 0.00 0.00 175.55 173.68 1sul s PRO 19 N -2.53 2.36 0.62 -1.71 0.02 -1.26 -5.05 135.00 127.45 1sul s PRO 19 Ca 0.61 1.59 0.04 0.00 0.02 0.00 0.00 61.00 63.26 1sul s PRO 19 Cb -0.29 -1.88 0.09 0.00 0.02 0.00 0.00 34.50 32.44 1sul s PRO 19 CO 0.36 -1.63 0.86 -1.21 -0.33 0.00 0.00 177.00 175.04 1sul s GLU 20 N -4.03 2.11 0.00 5.54 2.02 -1.26 -4.79 118.70 118.29 1sul s GLU 20 Ca 0.71 -1.28 0.00 0.00 0.02 0.00 0.00 54.97 54.42 1sul s GLU 20 Cb -0.25 -2.50 0.00 0.00 0.10 0.00 0.00 34.13 31.48 1sul s GLU 20 CO 0.44 -1.04 0.00 0.41 0.02 0.00 0.00 175.26 175.09 1sul n GLY 21 N -2.47 2.18 2.53 -1.39 0.00 -1.26 -4.75 105.19 100.03 1sul n GLY 21 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 1sul n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sul n GLY 22 N -0.36 0.95 3.77 -0.02 0.00 -1.26 -4.98 105.19 103.28 1sul n GLY 22 Ca 0.00 -0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 1sul n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sul s LEU 23 N -1.95 4.11 0.79 0.99 1.43 -1.26 -4.95 118.68 117.84 1sul s LEU 23 Ca 0.00 2.52 -0.14 0.00 -1.03 0.00 0.00 54.13 55.48 1sul s LEU 23 Cb 0.00 -4.07 0.07 0.00 0.03 0.00 0.00 46.19 42.22 1sul s LEU 23 CO 0.00 -0.94 1.21 -0.81 0.23 0.00 0.00 176.35 176.04 1sul n PRO 24 N -0.21 0.31 -4.51 1.29 -0.04 -1.26 -4.70 135.00 125.88 1sul n PRO 24 Ca 0.06 0.18 -0.21 0.00 -0.04 0.00 0.00 63.50 63.49 1sul n PRO 24 Cb 0.45 -2.45 -0.15 0.00 -0.04 0.00 0.00 33.50 31.32 1sul n PRO 24 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1sul s GLU 25 N -4.00 0.96 -0.18 0.54 2.02 -0.23 -1.68 118.70 116.13 1sul s GLU 25 Ca 0.75 -0.46 0.01 0.00 0.02 0.00 0.00 54.97 55.28 1sul s GLU 25 Cb -0.30 -0.93 0.03 0.00 0.10 0.00 0.00 34.13 33.03 1sul s GLU 25 CO 0.49 0.25 -0.14 0.42 0.02 0.00 0.00 175.26 176.30 1sul s ILE 26 N -0.34 1.79 0.19 -1.63 -1.09 -0.62 -0.94 121.20 118.55 1sul s ILE 26 Ca 0.04 -0.92 -0.06 0.00 -2.23 0.00 0.00 60.65 57.48 1sul s ILE 26 Cb -0.05 -1.73 -0.06 0.00 -1.58 0.00 0.00 42.46 39.04 1sul s ILE 26 CO -0.00 0.36 0.45 0.00 -1.23 0.00 0.00 174.94 174.51 1sul s ALA 27 N 1.37 3.71 -0.09 9.38 0.00 -0.97 -0.48 121.76 134.68 1sul s ALA 27 Ca 0.02 -0.50 0.05 0.00 0.00 0.00 0.00 51.96 51.52 1sul s ALA 27 Cb -0.14 -2.22 -0.00 0.00 0.00 0.00 0.00 23.12 20.75 1sul s ALA 27 CO -0.10 0.56 -0.24 -0.51 0.00 0.00 0.00 175.76 175.47 1sul s LEU 28 N -2.86 2.08 0.02 0.00 2.01 0.83 -0.34 118.68 120.41 1sul s LEU 28 Ca 0.43 -0.54 0.05 0.00 0.01 0.00 0.00 54.13 54.07 1sul s LEU 28 Cb -0.12 -1.39 -0.02 0.00 0.01 0.00 0.00 46.19 44.68 1sul s LEU 28 CO 0.25 0.18 -0.14 0.00 1.01 0.00 0.00 176.35 177.65 1sul s ALA 29 N 0.20 1.16 0.18 4.21 0.00 -0.19 -1.22 121.76 126.10 1sul s ALA 29 Ca -0.15 -0.72 -0.23 0.00 0.00 0.00 0.00 51.96 50.87 1sul s ALA 29 Cb -0.17 -0.23 0.06 0.00 0.00 0.00 0.00 23.12 22.78 1sul s ALA 29 CO 0.07 0.25 0.64 0.20 0.00 0.00 0.00 175.76 176.92 1sul s GLY 30 N -0.76 -0.50 0.40 0.00 0.00 -1.26 -0.49 107.32 104.70 1sul s GLY 30 Ca 0.03 0.34 0.10 0.00 0.00 0.00 0.00 44.72 45.19 1sul s GLY 30 CO 0.00 0.11 1.92 -0.09 0.00 0.00 0.00 173.10 175.05 1sul h ARG 31 N 2.00 0.19 -5.53 2.90 2.43 -1.93 -1.82 114.38 112.63 1sul h ARG 31 Ca -0.30 -0.04 -0.54 0.00 -0.81 0.00 0.00 59.98 58.28 1sul h ARG 31 Cb 1.29 -0.03 -0.30 0.00 -0.42 0.00 0.00 29.97 30.52 1sul h ARG 31 CO 0.35 0.34 -0.83 0.45 -1.51 0.00 0.00 179.97 178.77 1sul s SER 32 N -6.90 2.00 0.11 -3.80 0.15 -1.26 -2.59 113.70 101.41 1sul s SER 32 Ca -0.05 -0.31 -0.15 0.00 0.70 0.00 0.00 55.95 56.13 1sul s SER 32 Cb 0.15 -0.29 -0.04 0.00 -1.71 0.00 0.00 66.02 64.13 1sul s SER 32 CO 0.73 0.20 1.54 0.78 1.20 0.00 0.00 173.24 177.68 1sul h ASN 33 N 5.83 0.65 -0.42 5.45 2.35 -1.94 -2.67 115.58 124.83 1sul h ASN 33 Ca -0.36 -0.33 0.03 0.00 -0.55 0.00 0.00 56.30 55.09 1sul h ASN 33 Cb 1.16 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 39.32 1sul h ASN 33 CO 0.48 0.82 0.23 0.58 -1.65 0.00 0.00 177.43 177.89 1sul h VAL 34 N 0.46 1.00 -0.59 2.81 2.07 -2.00 -0.18 116.25 119.82 1sul h VAL 34 Ca 0.10 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 1sul h VAL 34 Cb 0.51 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1sul h VAL 34 CO 0.02 0.08 0.31 1.23 0.02 0.00 0.00 177.57 179.24 1sul h GLY 35 N 0.46 0.89 0.97 2.17 0.00 -2.00 -2.13 103.07 103.42 1sul h GLY 35 Ca 0.18 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 1sul h GLY 35 CO -0.11 0.40 -0.02 1.70 0.00 0.00 0.00 176.54 178.51 1sul h LYS 36 N 0.80 -0.06 -0.75 4.80 3.64 -1.04 -1.61 116.57 122.34 1sul h LYS 36 Ca 0.21 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.66 1sul h LYS 36 Cb 0.07 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.84 1sul h LYS 36 CO -0.03 -0.01 0.44 0.77 -2.27 0.00 0.00 179.45 178.35 1sul h SER 37 N -0.10 0.66 -0.43 4.20 0.02 -0.97 -1.72 113.55 115.21 1sul h SER 37 Ca -0.01 0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.01 1sul h SER 37 Cb 0.08 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.48 1sul h SER 37 CO 0.01 0.41 0.20 -1.28 -1.14 0.00 0.00 176.83 175.04 1sul h SER 38 N 0.79 0.28 -0.68 3.07 0.87 -1.12 -1.13 113.55 115.64 1sul h SER 38 Ca 0.34 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.91 1sul h SER 38 Cb 0.21 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.12 1sul h SER 38 CO -0.19 0.20 0.35 0.15 -0.53 0.00 0.00 176.83 176.81 1sul h PHE 39 N 0.41 0.95 -0.52 2.24 3.57 -0.46 -2.19 116.94 120.94 1sul h PHE 39 Ca 0.19 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.60 1sul h PHE 39 Cb 0.12 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 1sul h PHE 39 CO -0.11 0.69 0.10 0.82 -2.23 0.00 0.00 178.31 177.58 1sul h ILE 40 N 0.94 1.25 -0.71 1.41 2.04 -0.91 -2.22 117.51 119.30 1sul h ILE 40 Ca 0.24 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 1sul h ILE 40 Cb 0.08 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 1sul h ILE 40 CO -0.03 0.33 0.39 0.78 0.00 0.00 0.00 178.15 179.61 1sul h ASN 41 N 0.74 0.88 0.53 1.72 2.35 -1.03 -2.30 115.58 118.47 1sul h ASN 41 Ca 0.16 -0.07 -0.12 0.00 -0.55 0.00 0.00 56.30 55.72 1sul h ASN 41 Cb 0.37 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 1sul h ASN 41 CO 0.01 0.71 -0.56 0.28 -1.65 0.00 0.00 177.43 176.22 1sul h SER 42 N 0.99 0.03 0.56 5.81 0.02 -1.05 0.15 113.55 120.06 1sul h SER 42 Ca 0.25 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.12 1sul h SER 42 Cb 0.03 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1sul h SER 42 CO -0.04 0.58 -0.32 -0.07 -1.14 0.00 0.00 176.83 175.84 1sul h LEU 43 N 0.02 0.00 -3.14 5.07 3.38 -0.85 -3.22 115.31 116.57 1sul h LEU 43 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sul h LEU 43 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1sul h LEU 43 CO 0.07 0.32 0.00 2.30 0.09 0.00 0.00 178.44 181.22 1sul n ILE 44 N -3.76 1.96 -3.53 1.22 -5.35 -1.01 -4.87 119.36 104.01 1sul n ILE 44 Ca -0.01 -1.76 -0.20 0.00 -0.27 0.00 0.00 62.75 60.50 1sul n ILE 44 Cb 0.41 -0.10 0.08 0.00 -1.74 0.00 0.00 39.64 38.29 1sul n ILE 44 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1sul n ASN 45 N -0.50 -3.51 -4.28 7.28 3.02 -0.68 -4.90 115.26 111.69 1sul n ASN 45 Ca 0.18 -0.62 -0.15 0.00 -0.03 0.00 0.00 54.58 53.96 1sul n ASN 45 Cb 0.75 -4.94 -0.10 0.00 -0.61 0.00 0.00 39.78 34.88 1sul n ASN 45 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1sul s ARG 46 N -5.79 1.27 -0.02 3.52 1.81 -0.05 -5.04 118.95 114.65 1sul s ARG 46 Ca 0.22 -1.66 0.05 0.00 -1.72 0.00 0.00 55.73 52.62 1sul s ARG 46 Cb -0.10 -0.21 -0.08 0.00 -0.45 0.00 0.00 34.95 34.12 1sul s ARG 46 CO 0.74 -0.24 0.09 1.63 -0.68 0.00 0.00 175.30 176.84 1sul n LYS 47 N -0.36 1.07 0.00 3.54 4.76 -1.26 -4.10 118.16 121.81 1sul n LYS 47 Ca -0.02 -0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 1sul n LYS 47 Cb 0.65 -1.13 0.00 0.00 -1.84 0.00 0.00 35.03 32.72 1sul n LYS 47 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1sul n ASN 48 N -1.83 0.69 0.10 4.39 5.03 -1.26 -4.89 115.26 117.49 1sul n ASN 48 Ca -0.03 -1.28 -0.13 0.00 0.87 0.00 0.00 54.58 54.01 1sul n ASN 48 Cb 0.29 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 38.97 1sul n ASN 48 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 1sul h LEU 49 N 0.00 -0.24-10.21 3.41 7.12 -1.95 -3.53 115.31 109.91 1sul h LEU 49 Ca 0.00 -0.26 -0.50 0.00 0.13 0.00 0.00 57.88 57.25 1sul h LEU 49 Cb 0.63 0.06 0.07 0.00 -0.53 0.00 0.00 40.66 40.90 1sul h LEU 49 CO 0.00 0.17 0.38 0.00 -0.13 0.00 0.00 178.44 178.86 1sul s ALA 50 N -4.55 2.69 -0.19 1.25 0.00 -1.26 -4.90 121.76 114.79 1sul s ALA 50 Ca -0.14 0.38 -0.19 0.00 0.00 0.00 0.00 51.96 52.00 1sul s ALA 50 Cb 0.02 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.87 1sul s ALA 50 CO 0.56 -0.93 0.56 -0.65 0.00 0.00 0.00 175.76 175.30 1sul s GLN 60 N -4.19 4.21 0.05 0.00 -0.21 -1.26 -4.91 119.66 113.35 1sul s GLN 60 Ca 0.63 0.50 -0.10 0.00 0.02 0.00 0.00 55.36 56.41 1sul s GLN 60 Cb -0.16 -3.56 0.01 0.00 1.00 0.00 0.00 33.01 30.29 1sul s GLN 60 CO 0.40 -0.17 0.22 0.95 -2.12 0.00 0.00 175.29 174.57 1sul s THR 61 N 1.69 0.11 -0.29 -0.19 -4.23 -1.26 -4.86 115.64 106.61 1sul s THR 61 Ca 0.26 -0.90 -0.28 0.00 -1.18 0.00 0.00 61.69 59.59 1sul s THR 61 Cb -0.16 -1.02 0.01 0.00 1.34 0.00 0.00 72.50 72.68 1sul s THR 61 CO 0.10 -0.50 1.01 -0.76 -0.54 0.00 0.00 174.62 173.94 1sul s LEU 62 N -2.27 4.01 -0.35 4.79 1.43 0.00 -4.42 118.68 121.87 1sul s LEU 62 Ca -0.03 1.09 -0.14 0.00 -1.03 0.00 0.00 54.13 54.02 1sul s LEU 62 Cb 0.00 -3.46 -0.01 0.00 0.03 0.00 0.00 46.19 42.75 1sul s LEU 62 CO -0.06 -0.77 0.31 0.20 0.23 0.00 0.00 176.35 176.27 1sul s ASN 63 N 1.51 6.12 -0.07 2.29 0.02 -0.96 -0.74 114.94 123.12 1sul s ASN 63 Ca 0.43 -0.39 -0.13 0.00 -1.02 0.00 0.00 52.86 51.75 1sul s ASN 63 Cb -0.13 -2.17 -0.05 0.00 0.02 0.00 0.00 41.25 38.92 1sul s ASN 63 CO 0.12 -0.32 0.33 -0.36 0.02 0.00 0.00 177.10 176.89 1sul s PHE 64 N 1.87 3.63 -0.07 2.20 0.40 -0.52 -1.22 117.98 124.28 1sul s PHE 64 Ca 0.09 0.80 0.02 0.00 -0.60 0.00 0.00 56.93 57.24 1sul s PHE 64 Cb -0.17 -2.24 0.02 0.00 0.51 0.00 0.00 43.02 41.13 1sul s PHE 64 CO 0.11 0.55 -0.10 0.71 0.70 0.00 0.00 175.22 177.19 1sul s TYR 65 N -0.63 1.33 -0.10 0.36 2.02 -0.29 -0.35 117.35 119.69 1sul s TYR 65 Ca 0.20 -0.50 -0.21 0.00 -0.37 0.00 0.00 57.07 56.20 1sul s TYR 65 Cb -0.15 -1.01 -0.04 0.00 -0.40 0.00 0.00 41.96 40.36 1sul s TYR 65 CO 0.09 -0.28 0.60 -1.50 -1.57 0.00 0.00 175.55 172.89 1sul s ILE 66 N 0.80 5.10 -0.13 2.71 1.10 0.04 -0.58 121.20 130.25 1sul s ILE 66 Ca -0.12 1.21 0.01 0.00 -0.51 0.00 0.00 60.65 61.25 1sul s ILE 66 Cb -0.15 -3.94 -0.00 0.00 0.15 0.00 0.00 42.46 38.51 1sul s ILE 66 CO 0.02 0.26 -0.17 -0.63 -2.11 0.00 0.00 174.94 172.31 1sul s ILE 67 N 0.87 2.58 -1.16 2.00 -1.09 -0.03 -1.94 121.20 122.43 1sul s ILE 67 Ca 0.32 -0.82 -0.15 0.00 -2.23 0.00 0.00 60.65 57.77 1sul s ILE 67 Cb -0.16 -2.06 0.14 0.00 -1.58 0.00 0.00 42.46 38.80 1sul s ILE 67 CO 0.14 0.53 0.37 0.59 -1.23 0.00 0.00 174.94 175.34 1sul n ASN 68 N 3.72 -1.57 -3.84 3.58 5.03 0.78 -0.72 115.26 122.25 1sul n ASN 68 Ca -0.19 -0.57 -0.29 0.00 0.87 0.00 0.00 54.58 54.41 1sul n ASN 68 Cb 0.52 -1.41 -0.04 0.00 -1.02 0.00 0.00 39.78 37.83 1sul n ASN 68 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1sul n ASP 69 N -2.09 -2.19 0.00 6.41 8.00 -1.26 -4.75 116.55 120.66 1sul n ASP 69 Ca 0.07 -0.68 0.00 0.00 0.71 0.00 0.00 54.79 54.89 1sul n ASP 69 Cb 0.47 -1.89 0.00 0.00 -0.02 0.00 0.00 41.12 39.68 1sul n ASP 69 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1sul n GLU 70 N -3.70 3.56 -3.46 -1.24 0.28 0.11 -5.11 120.64 111.09 1sul n GLU 70 Ca 0.06 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.94 1sul n GLU 70 Cb 0.48 -0.70 -0.03 0.00 1.43 0.00 0.00 31.44 32.62 1sul n GLU 70 CO 0.00 0.00 0.00 -0.48 -0.16 0.00 0.00 177.13 176.49 1sul s LEU 71 N -1.21 -0.48 -0.08 -1.84 2.34 -1.15 -4.18 118.68 112.07 1sul s LEU 71 Ca 0.00 0.07 -0.02 0.00 0.06 0.00 0.00 54.13 54.24 1sul s LEU 71 Cb 0.00 2.51 -0.03 0.00 -0.56 0.00 0.00 46.19 48.10 1sul s LEU 71 CO 0.00 -0.91 0.02 -1.00 -1.06 0.00 0.00 176.35 173.40 1sul s HIS 72 N -3.39 3.21 0.07 3.48 3.76 -0.68 -0.85 115.29 120.89 1sul s HIS 72 Ca -0.01 0.22 -0.21 0.00 -0.15 0.00 0.00 55.06 54.92 1sul s HIS 72 Cb -0.01 -1.79 -0.07 0.00 1.11 0.00 0.00 32.58 31.83 1sul s HIS 72 CO -0.10 0.50 0.61 -0.06 -0.85 0.00 0.00 174.74 174.85 1sul s PHE 73 N -0.93 3.80 -0.28 1.40 2.99 0.26 -1.59 117.98 123.62 1sul s PHE 73 Ca 0.14 1.32 0.03 0.00 0.00 0.00 0.00 56.93 58.43 1sul s PHE 73 Cb -0.11 -2.57 0.07 0.00 0.00 0.00 0.00 43.02 40.41 1sul s PHE 73 CO 0.04 0.53 -0.05 0.08 -0.00 0.00 0.00 175.22 175.81 1sul s VAL 74 N -0.92 2.13 -0.37 -0.44 1.01 0.36 -1.14 120.40 121.03 1sul s VAL 74 Ca 0.31 -1.81 -0.28 0.00 0.00 0.00 0.00 61.98 60.20 1sul s VAL 74 Cb -0.20 -2.35 0.02 0.00 0.00 0.00 0.00 36.38 33.85 1sul s VAL 74 CO 0.20 -0.21 1.02 -0.62 0.00 0.00 0.00 175.10 175.49 1sul s ASP 75 N 1.07 6.77 -0.13 3.32 2.15 -0.36 -0.12 116.67 129.38 1sul s ASP 75 Ca -0.03 0.75 -0.17 0.00 0.43 0.00 0.00 52.55 53.53 1sul s ASP 75 Cb -0.20 -2.51 -0.04 0.00 -0.30 0.00 0.00 42.92 39.87 1sul s ASP 75 CO -0.06 -0.94 0.43 -0.69 -0.17 0.00 0.00 175.17 173.74 1sul s VAL 76 N 3.73 5.22 0.34 1.11 1.01 -0.36 -2.26 120.40 129.19 1sul s VAL 76 Ca 0.43 0.84 -0.28 0.00 0.00 0.00 0.00 61.98 62.97 1sul s VAL 76 Cb -0.11 -3.77 -0.12 0.00 0.00 0.00 0.00 36.38 32.38 1sul s VAL 76 CO 0.20 0.34 1.37 -2.65 0.00 0.00 0.00 175.10 174.36 1sul n PRO 77 N 3.67 2.29 -1.43 2.72 -0.02 -1.26 -4.60 135.00 136.37 1sul n PRO 77 Ca -0.08 0.81 -0.43 0.00 -2.02 0.00 0.00 63.50 61.78 1sul n PRO 77 Cb 0.52 -2.44 -0.00 0.00 -0.02 0.00 0.00 33.50 31.55 1sul n PRO 77 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sul n GLY 78 N 0.90 -1.62 1.93 -1.23 0.00 -1.26 -4.85 105.19 99.07 1sul n GLY 78 Ca 0.05 0.09 0.04 0.00 0.00 0.00 0.00 46.02 46.21 1sul n GLY 78 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1sul n TYR 79 N -0.70 2.18 -2.53 1.61 0.18 -0.68 -4.87 117.16 112.34 1sul n TYR 79 Ca 0.12 -0.82 -0.41 0.00 1.88 0.00 0.00 57.90 58.67 1sul n TYR 79 Cb 0.37 -0.55 -0.03 0.00 -0.38 0.00 0.00 39.34 38.75 1sul n TYR 79 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 1sul s GLY 80 N -0.82 0.92 0.00 -7.48 0.00 -1.07 -4.89 107.32 93.99 1sul s GLY 80 Ca 0.55 -1.15 0.18 0.00 0.00 0.00 0.00 44.72 44.30 1sul s GLY 80 CO 0.16 2.65 1.39 0.69 0.00 0.00 0.00 173.10 177.98 1sul n PHE 81 N 9.26 0.68 -0.29 1.90 0.99 -1.26 -4.59 117.46 124.15 1sul n PHE 81 Ca 0.06 -0.43 0.10 0.00 -0.00 0.00 0.00 57.45 57.18 1sul n PHE 81 Cb 0.49 -0.01 0.26 0.00 -1.00 0.00 0.00 39.48 39.23 1sul n PHE 81 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1sul h ALA 82 N 3.50 1.30 -0.38 4.37 0.00 -2.02 -1.11 119.26 124.93 1sul h ALA 82 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1sul h ALA 82 Cb 0.88 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1sul h ALA 82 CO 0.00 -0.29 0.00 1.63 0.00 0.00 0.00 179.25 180.59 1sul n LYS 83 N -5.03 3.57 -4.30 0.00 5.02 -1.26 -4.94 118.16 111.22 1sul n LYS 83 Ca 0.19 -2.91 -0.34 0.00 -2.02 0.00 0.00 58.31 53.23 1sul n LYS 83 Cb 0.57 -1.95 -0.11 0.00 -0.02 0.00 0.00 35.03 33.52 1sul n LYS 83 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1sul s VAL 84 N -2.69 4.26 0.72 -0.18 0.11 -0.42 -5.09 120.40 117.12 1sul s VAL 84 Ca 0.46 -0.24 -0.16 0.00 -2.93 0.00 0.00 61.98 59.11 1sul s VAL 84 Cb 0.36 -2.85 0.02 0.00 -1.53 0.00 0.00 36.38 32.37 1sul s VAL 84 CO 0.12 0.53 1.08 -1.54 -3.33 0.00 0.00 175.10 171.96 1sul n SER 85 N 3.02 0.94 -0.02 3.54 3.41 -1.26 -4.78 113.62 118.46 1sul n SER 85 Ca -0.18 0.69 0.15 0.00 -0.26 0.00 0.00 58.87 59.28 1sul n SER 85 Cb 0.53 -1.46 0.59 0.00 -0.26 0.00 0.00 64.21 63.61 1sul n SER 85 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1sul h LYS 86 N -0.18 0.19 0.02 4.33 3.64 -1.98 -1.55 116.57 121.04 1sul h LYS 86 Ca -0.48 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1sul h LYS 86 Cb 1.33 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1sul h LYS 86 CO 0.48 0.13 -0.01 1.03 -2.27 0.00 0.00 179.45 178.81 1sul h SER 87 N 0.20 -0.02 -0.20 4.20 0.87 -1.99 -1.28 113.55 115.33 1sul h SER 87 Ca 0.25 -0.40 -0.07 0.00 -1.23 0.00 0.00 61.79 60.33 1sul h SER 87 Cb 0.71 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.66 1sul h SER 87 CO -0.04 0.39 -0.10 -0.33 -0.53 0.00 0.00 176.83 176.22 1sul h GLU 88 N -0.44 0.56 -0.46 2.24 4.39 -1.84 -1.43 114.58 117.61 1sul h GLU 88 Ca -0.00 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.54 1sul h GLU 88 Cb 0.42 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 1sul h GLU 88 CO 0.00 0.66 0.29 0.00 -1.16 0.00 0.00 179.01 178.81 1sul h ARG 89 N 0.52 0.61 -0.79 2.33 3.08 -1.19 0.11 114.38 119.05 1sul h ARG 89 Ca 0.10 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 1sul h ARG 89 Cb 0.49 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 1sul h ARG 89 CO 0.03 0.42 0.31 0.93 -1.07 0.00 0.00 179.97 180.58 1sul h GLU 90 N 0.61 1.18 -0.51 0.04 5.08 -0.82 -0.27 114.58 119.89 1sul h GLU 90 Ca 0.17 -0.22 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 1sul h GLU 90 Cb -0.05 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 28.99 1sul h GLU 90 CO -0.03 0.96 -0.05 0.00 -1.00 0.00 0.00 179.01 178.88 1sul h ALA 91 N 1.19 0.94 -0.53 3.43 0.00 -0.81 -0.58 119.26 122.89 1sul h ALA 91 Ca 0.26 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1sul h ALA 91 Cb 0.22 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1sul h ALA 91 CO -0.02 0.63 0.10 2.35 0.00 0.00 0.00 179.25 182.31 1sul h TRP 92 N 0.83 0.86 -0.15 0.00 7.01 -0.39 -1.48 115.95 122.62 1sul h TRP 92 Ca 0.15 -0.09 -0.02 0.00 2.11 0.00 0.00 58.89 61.04 1sul h TRP 92 Cb 0.56 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.37 1sul h TRP 92 CO 0.03 0.74 0.03 0.78 -2.79 0.00 0.00 178.44 177.23 1sul h GLY 93 N 0.97 0.26 1.15 2.65 0.00 -0.43 -0.71 103.07 106.96 1sul h GLY 93 Ca 0.17 -0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 1sul h GLY 93 CO 0.00 0.15 0.37 3.21 0.00 0.00 0.00 176.54 180.28 1sul h ARG 94 N 0.03 1.09 0.32 4.80 3.08 -0.98 -1.41 114.38 121.32 1sul h ARG 94 Ca 0.05 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 1sul h ARG 94 Cb 0.27 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1sul h ARG 94 CO 0.00 0.84 -0.15 1.98 -1.07 0.00 0.00 179.97 181.57 1sul h MET 95 N 1.09 -0.42 -0.45 0.04 4.05 -1.00 -1.52 114.93 116.72 1sul h MET 95 Ca 0.27 0.03 -0.13 0.00 -0.28 0.00 0.00 59.70 59.58 1sul h MET 95 Cb 0.10 0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 30.99 1sul h MET 95 CO -0.03 -0.17 -0.22 0.97 0.23 0.00 0.00 176.91 177.69 1sul h ILE 96 N -0.61 1.27 -0.26 1.77 6.09 -1.15 -2.27 117.51 122.35 1sul h ILE 96 Ca -0.04 -1.38 -0.09 0.00 -1.37 0.00 0.00 64.86 61.97 1sul h ILE 96 Cb 0.44 1.19 -0.01 0.00 0.47 0.00 0.00 36.82 38.91 1sul h ILE 96 CO 0.07 0.47 -0.22 -0.33 -3.07 0.00 0.00 178.15 175.07 1sul h GLU 97 N 0.79 0.48 -0.18 2.19 5.08 -1.28 0.20 114.58 121.85 1sul h GLU 97 Ca 0.10 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1sul h GLU 97 Cb 0.80 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 1sul h GLU 97 CO 0.07 0.67 -0.00 1.15 -1.00 0.00 0.00 179.01 179.90 1sul h THR 98 N 0.43 1.26 0.61 1.13 2.02 -1.23 -1.63 112.91 115.49 1sul h THR 98 Ca 0.07 -0.87 -0.02 0.00 0.77 0.00 0.00 66.41 66.35 1sul h THR 98 Cb 0.62 1.47 -0.00 0.00 -1.74 0.00 0.00 68.15 68.49 1sul h THR 98 CO 0.04 0.26 -0.37 0.22 0.37 0.00 0.00 175.52 176.04 1sul h TYR 99 N 0.08 -0.99 -0.98 3.16 5.03 -1.10 -2.04 116.97 120.12 1sul h TYR 99 Ca 0.05 -0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.40 1sul h TYR 99 Cb 0.39 0.35 -0.06 0.00 1.55 0.00 0.00 36.73 38.96 1sul h TYR 99 CO 0.04 -0.57 0.64 0.82 -1.32 0.00 0.00 178.16 177.77 1sul h ILE 100 N -0.93 1.12 0.00 1.81 1.08 -0.94 -0.18 117.51 119.47 1sul h ILE 100 Ca -0.07 -0.41 0.00 0.00 -0.39 0.00 0.00 64.86 63.99 1sul h ILE 100 Cb 0.75 -0.17 0.00 0.00 -3.07 0.00 0.00 36.82 34.33 1sul h ILE 100 CO 0.08 0.22 -0.21 0.35 -0.69 0.00 0.00 178.15 177.90 1sul n THR 101 N -4.47 0.53 0.07 -0.27 -2.24 -0.62 -4.25 114.28 103.04 1sul n THR 101 Ca 0.14 -0.29 0.01 0.00 -2.27 0.00 0.00 64.05 61.65 1sul n THR 101 Cb 0.15 -0.44 -0.02 0.00 -2.10 0.00 0.00 70.33 67.92 1sul n THR 101 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1sul n THR 102 N -2.23 0.00 -2.77 4.28 -2.24 -0.77 -4.97 114.28 105.58 1sul n THR 102 Ca 0.05 -0.25 -0.42 0.00 -2.27 0.00 0.00 64.05 61.15 1sul n THR 102 Cb 0.44 0.72 -0.04 0.00 -2.10 0.00 0.00 70.33 69.35 1sul n THR 102 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1sul s ARG 103 N -1.73 3.21 0.39 -0.78 6.06 -0.11 -4.86 118.95 121.13 1sul s ARG 103 Ca 0.00 -0.49 0.07 0.00 -2.50 0.00 0.00 55.73 52.82 1sul s ARG 103 Cb 0.02 -4.16 0.81 0.00 0.06 0.00 0.00 34.95 31.68 1sul s ARG 103 CO 0.12 -1.80 2.00 1.49 -2.50 0.00 0.00 175.30 174.61 1sul h GLU 104 N 9.61 0.46 0.00 5.12 4.81 -1.93 -2.63 114.58 130.02 1sul h GLU 104 Ca -0.28 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.89 1sul h GLU 104 Cb 1.07 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.35 1sul h GLU 104 CO 1.18 0.39 -0.05 0.93 -0.73 0.00 0.00 179.01 180.73 1sul h GLU 105 N 0.46 0.00 -6.25 1.92 3.07 -1.89 -3.44 114.58 108.45 1sul h GLU 105 Ca 0.12 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 58.43 1sul h GLU 105 Cb 0.10 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 1sul h GLU 105 CO -0.01 0.05 1.08 -1.17 -1.40 0.00 0.00 179.01 177.57 1sul s LEU 106 N -6.56 4.27 -0.11 1.33 2.96 -1.00 -1.06 118.68 118.51 1sul s LEU 106 Ca -0.02 2.15 0.15 0.00 -0.22 0.00 0.00 54.13 56.19 1sul s LEU 106 Cb 0.11 -3.53 -0.22 0.00 0.50 0.00 0.00 46.19 43.05 1sul s LEU 106 CO 0.53 -0.95 0.16 0.29 -1.32 0.00 0.00 176.35 175.05 1sul n LYS 107 N 7.16 1.13 -3.55 1.98 4.76 -0.12 -4.92 118.16 124.61 1sul n LYS 107 Ca 0.17 -0.06 -0.07 0.00 -2.87 0.00 0.00 58.31 55.48 1sul n LYS 107 Cb 0.43 -1.40 -0.02 0.00 -1.84 0.00 0.00 35.03 32.20 1sul n LYS 107 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1sul s ALA 108 N -2.65 -1.83 -0.11 7.82 0.00 -1.25 -4.49 121.76 119.26 1sul s ALA 108 Ca -0.07 0.93 0.02 0.00 0.00 0.00 0.00 51.96 52.83 1sul s ALA 108 Cb 0.07 0.41 -0.01 0.00 0.00 0.00 0.00 23.12 23.58 1sul s ALA 108 CO 0.66 -0.74 -0.16 0.08 0.00 0.00 0.00 175.76 175.60 1sul s VAL 109 N -3.08 2.77 -0.26 0.00 1.01 -0.15 -2.30 120.40 118.39 1sul s VAL 109 Ca 0.07 -0.77 -0.18 0.00 0.00 0.00 0.00 61.98 61.09 1sul s VAL 109 Cb -0.01 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 1sul s VAL 109 CO -0.07 0.54 0.52 -0.69 0.00 0.00 0.00 175.10 175.40 1sul s VAL 110 N 0.17 5.07 -0.23 2.92 1.01 0.53 -0.73 120.40 129.14 1sul s VAL 110 Ca -0.09 0.88 -0.08 0.00 0.00 0.00 0.00 61.98 62.69 1sul s VAL 110 Cb -0.16 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 1sul s VAL 110 CO 0.06 0.09 0.08 -1.58 0.00 0.00 0.00 175.10 173.75 1sul s GLN 111 N 2.29 3.80 -0.21 2.72 0.74 0.07 -1.02 119.66 128.04 1sul s GLN 111 Ca 0.21 -0.41 -0.10 0.00 0.05 0.00 0.00 55.36 55.11 1sul s GLN 111 Cb -0.16 -3.33 -0.05 0.00 1.10 0.00 0.00 33.01 30.58 1sul s GLN 111 CO 0.09 -0.03 0.13 0.42 -0.55 0.00 0.00 175.29 175.35 1sul s ILE 112 N 1.21 5.29 0.26 -2.34 1.01 0.35 -1.03 121.20 125.95 1sul s ILE 112 Ca 0.05 0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.86 1sul s ILE 112 Cb -0.14 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 1sul s ILE 112 CO 0.04 0.41 0.13 0.68 0.00 0.00 0.00 174.94 176.20 1sul s VAL 113 N 0.62 0.35 -0.23 2.92 -7.23 -0.14 -4.28 120.40 112.41 1sul s VAL 113 Ca 0.07 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.13 1sul s VAL 113 Cb -0.12 -2.56 -0.05 0.00 0.56 0.00 0.00 36.38 34.21 1sul s VAL 113 CO 0.01 0.00 0.20 -0.62 -0.31 0.00 0.00 175.10 174.38 1sul s ASP 114 N -3.30 6.18 0.47 4.85 -1.08 -1.26 -0.14 116.67 122.39 1sul s ASP 114 Ca 0.37 0.20 0.19 0.00 -0.52 0.00 0.00 52.55 52.79 1sul s ASP 114 Cb 0.07 -2.13 1.14 0.00 -1.46 0.00 0.00 42.92 40.54 1sul s ASP 114 CO 0.15 0.05 2.00 0.25 0.52 0.00 0.00 175.17 178.14 1sul h LEU 115 N 7.48 0.00 -1.77 -1.34 5.85 -1.30 -3.23 115.31 121.00 1sul h LEU 115 Ca -0.38 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.31 1sul h LEU 115 Cb 1.17 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.19 1sul h LEU 115 CO 0.67 0.18 -0.16 0.03 -0.34 0.00 0.00 178.44 178.83 1sul h ARG 116 N 0.00 0.00 -3.72 1.25 3.08 -1.88 -3.45 114.38 109.66 1sul h ARG 116 Ca -0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 1sul h ARG 116 Cb 0.36 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.30 1sul h ARG 116 CO 0.02 0.16 -0.20 -3.38 -1.07 0.00 0.00 179.97 175.50 1sul s HIS 117 N -4.45 0.31 0.28 3.04 -3.43 -1.22 -5.09 115.29 104.73 1sul s HIS 117 Ca -0.04 -0.67 -0.30 0.00 -0.80 0.00 0.00 55.06 53.25 1sul s HIS 117 Cb 0.15 0.09 -0.12 0.00 -1.43 0.00 0.00 32.58 31.27 1sul s HIS 117 CO 0.65 -0.84 1.54 0.00 -2.00 0.00 0.00 174.74 174.09 1sul n ALA 118 N -0.29 2.12 -1.60 -1.38 0.00 -1.26 -4.76 120.51 113.33 1sul n ALA 118 Ca -0.06 0.38 -0.39 0.00 0.00 0.00 0.00 53.44 53.37 1sul n ALA 118 Cb 0.63 -2.41 0.03 0.00 0.00 0.00 0.00 19.45 17.70 1sul n ALA 118 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1sul n PRO 119 N 2.11 1.07 -1.93 0.00 -0.02 -1.26 -5.01 135.00 129.96 1sul n PRO 119 Ca 0.09 0.40 -0.29 0.00 -2.02 0.00 0.00 63.50 61.68 1sul n PRO 119 Cb 0.35 -2.08 0.08 0.00 -0.02 0.00 0.00 33.50 31.83 1sul n PRO 119 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1sul s SER 120 N -1.02 4.68 0.46 2.55 1.04 -1.26 -4.89 113.70 115.26 1sul s SER 120 Ca 0.70 0.81 0.16 0.00 0.48 0.00 0.00 55.95 58.09 1sul s SER 120 Cb -0.47 -1.36 1.07 0.00 0.10 0.00 0.00 66.02 65.36 1sul s SER 120 CO 0.52 -1.79 2.02 -1.13 0.98 0.00 0.00 173.24 173.84 1sul h ASN 121 N -0.95 0.00 -0.49 7.02 -0.00 -1.99 -1.19 115.58 117.98 1sul h ASN 121 Ca -0.46 0.00 -0.07 0.00 -0.00 0.00 0.00 56.30 55.77 1sul h ASN 121 Cb 1.32 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 39.61 1sul h ASN 121 CO 0.65 0.16 0.05 0.44 -0.00 0.00 0.00 177.43 178.73 1sul h ASP 122 N 0.00 0.85 -0.49 1.15 3.32 -1.94 0.11 116.42 119.43 1sul h ASP 122 Ca -0.00 -0.20 -0.09 0.00 0.02 0.00 0.00 57.03 56.76 1sul h ASP 122 Cb 0.29 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1sul h ASP 122 CO 0.02 0.88 -0.05 0.44 -1.72 0.00 0.00 179.24 178.81 1sul h ASP 123 N 0.84 0.89 -0.15 6.45 3.45 -1.60 -1.71 116.42 124.58 1sul h ASP 123 Ca 0.17 -0.33 -0.00 0.00 0.43 0.00 0.00 57.03 57.29 1sul h ASP 123 Cb 0.42 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.94 1sul h ASP 123 CO 0.01 1.01 0.09 0.58 -1.57 0.00 0.00 179.24 179.36 1sul h VAL 124 N 0.75 1.08 -0.54 -1.35 2.07 -1.01 -1.08 116.25 116.18 1sul h VAL 124 Ca 0.13 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1sul h VAL 124 Cb 0.58 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1sul h VAL 124 CO 0.03 0.07 0.31 -0.61 0.02 0.00 0.00 177.57 177.40 1sul h GLN 125 N 0.17 0.74 -0.80 1.57 4.15 -0.79 -0.48 115.11 119.66 1sul h GLN 125 Ca 0.05 -0.07 0.02 0.00 0.77 0.00 0.00 58.65 59.42 1sul h GLN 125 Cb 0.04 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 27.54 1sul h GLN 125 CO -0.01 0.55 0.53 1.98 -1.93 0.00 0.00 178.83 179.94 1sul h MET 126 N 0.72 1.02 -0.23 1.69 4.05 -1.15 0.35 114.93 121.38 1sul h MET 126 Ca 0.19 -0.06 -0.03 0.00 -0.28 0.00 0.00 59.70 59.52 1sul h MET 126 Cb 0.01 -0.23 -0.01 0.00 -0.80 0.00 0.00 31.60 30.57 1sul h MET 126 CO -0.03 0.68 0.05 -0.92 0.23 0.00 0.00 176.91 176.91 1sul h TYR 127 N 1.05 0.40 -0.75 1.39 3.20 -0.87 -0.62 116.97 120.77 1sul h TYR 127 Ca 0.31 -0.05 0.07 0.00 3.14 0.00 0.00 58.73 62.20 1sul h TYR 127 Cb -0.07 -0.11 -0.06 0.00 1.54 0.00 0.00 36.73 38.02 1sul h TYR 127 CO -0.02 0.49 0.43 0.93 -1.64 0.00 0.00 178.16 178.35 1sul h GLU 128 N 0.19 0.73 -0.30 1.82 5.08 -0.78 -0.97 114.58 120.36 1sul h GLU 128 Ca 0.07 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1sul h GLU 128 Cb 0.30 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1sul h GLU 128 CO 0.00 0.48 0.10 0.35 -1.00 0.00 0.00 179.01 178.95 1sul h PHE 129 N 0.75 0.47 -0.48 4.33 3.57 -0.56 -0.60 116.94 124.42 1sul h PHE 129 Ca 0.35 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.81 1sul h PHE 129 Cb 0.26 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 1sul h PHE 129 CO -0.07 0.47 0.32 -0.07 -2.23 0.00 0.00 178.31 176.73 1sul h LEU 130 N 0.32 0.56 -1.01 0.59 3.38 -0.87 -2.87 115.31 115.41 1sul h LEU 130 Ca 0.10 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 1sul h LEU 130 Cb 0.22 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1sul h LEU 130 CO -0.01 0.40 -0.45 0.11 0.09 0.00 0.00 178.44 178.59 1sul h LYS 131 N 0.66 0.00 -1.00 1.13 1.79 -0.89 -2.38 116.57 115.87 1sul h LYS 131 Ca 0.18 0.00 0.10 0.00 -2.18 0.00 0.00 60.65 58.74 1sul h LYS 131 Cb -0.07 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 30.50 1sul h LYS 131 CO -0.04 0.45 0.64 -0.92 -1.08 0.00 0.00 179.45 178.50 1sul h TYR 132 N 0.00 1.16 -0.00 -1.35 3.20 -0.89 0.10 116.97 119.20 1sul h TYR 132 Ca -0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1sul h TYR 132 Cb 0.88 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.77 1sul h TYR 132 CO 0.00 0.53 -0.03 0.66 -1.64 0.00 0.00 178.16 177.67 1sul n TYR 133 N -4.56 0.00 -2.37 -3.82 4.02 -0.92 -4.92 117.16 104.60 1sul n TYR 133 Ca 0.17 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.95 1sul n TYR 133 Cb 0.28 -0.23 0.00 0.00 -0.02 0.00 0.00 39.34 39.37 1sul n TYR 133 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1sul n GLY 134 N 1.26 -0.02 3.74 2.72 0.00 0.35 -5.01 105.19 108.23 1sul n GLY 134 Ca 0.15 -0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 1sul n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sul s ILE 135 N -2.65 5.08 0.30 -0.61 -1.09 -1.15 -5.04 121.20 116.03 1sul s ILE 135 Ca 0.06 1.13 -0.29 0.00 -2.23 0.00 0.00 60.65 59.32 1sul s ILE 135 Cb -0.03 -3.89 -0.10 0.00 -1.58 0.00 0.00 42.46 36.86 1sul s ILE 135 CO 0.07 0.35 1.38 -2.84 -1.23 0.00 0.00 174.94 172.67 1sul s PRO 136 N 0.37 4.30 -0.06 2.79 0.02 -1.26 -4.61 135.00 136.55 1sul s PRO 136 Ca 0.30 2.28 0.04 0.00 0.02 0.00 0.00 61.00 63.64 1sul s PRO 136 Cb -0.17 -3.08 -0.00 0.00 0.02 0.00 0.00 34.50 31.27 1sul s PRO 136 CO 0.14 -0.32 -0.19 0.08 -0.33 0.00 0.00 177.00 176.38 1sul s VAL 137 N -0.62 1.59 -0.35 3.83 1.01 -1.26 -0.98 120.40 123.62 1sul s VAL 137 Ca 0.54 -0.79 -0.09 0.00 0.00 0.00 0.00 61.98 61.63 1sul s VAL 137 Cb -0.41 -1.37 0.02 0.00 0.00 0.00 0.00 36.38 34.62 1sul s VAL 137 CO 0.49 0.45 0.17 -0.63 0.00 0.00 0.00 175.10 175.59 1sul s ILE 138 N 0.12 4.37 -0.18 2.22 1.01 0.09 -3.69 121.20 125.13 1sul s ILE 138 Ca -0.07 -0.83 -0.22 0.00 0.00 0.00 0.00 60.65 59.52 1sul s ILE 138 Cb -0.13 -3.40 -0.02 0.00 0.01 0.00 0.00 42.46 38.92 1sul s ILE 138 CO 0.04 -0.15 0.69 -0.69 0.00 0.00 0.00 174.94 174.83 1sul s VAL 139 N 1.53 4.98 -0.22 2.92 1.01 -0.29 -0.75 120.40 129.57 1sul s VAL 139 Ca 0.02 1.33 -0.04 0.00 0.00 0.00 0.00 61.98 63.29 1sul s VAL 139 Cb -0.19 -4.01 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 1sul s VAL 139 CO 0.05 0.10 -0.02 -0.63 0.00 0.00 0.00 175.10 174.60 1sul s ILE 140 N 1.90 3.62 -0.39 2.22 -1.09 -0.20 -0.30 121.20 126.97 1sul s ILE 140 Ca 0.32 -0.41 -0.13 0.00 -2.23 0.00 0.00 60.65 58.20 1sul s ILE 140 Cb -0.16 -2.65 0.02 0.00 -1.58 0.00 0.00 42.46 38.09 1sul s ILE 140 CO 0.11 0.41 0.25 0.00 -1.23 0.00 0.00 174.94 174.49 1sul s ALA 141 N 1.36 3.39 0.76 9.38 0.00 -0.06 -0.96 121.76 135.63 1sul s ALA 141 Ca 0.04 -1.70 -0.03 0.00 0.00 0.00 0.00 51.96 50.27 1sul s ALA 141 Cb -0.14 -2.74 0.14 0.00 0.00 0.00 0.00 23.12 20.38 1sul s ALA 141 CO -0.01 -1.40 0.95 0.25 0.00 0.00 0.00 175.76 175.55 1sul n THR 142 N 5.08 0.00 -2.12 0.00 -2.24 0.80 -1.02 114.28 114.79 1sul n THR 142 Ca -0.11 -1.29 -0.15 0.00 -2.27 0.00 0.00 64.05 60.23 1sul n THR 142 Cb 0.47 -1.08 -0.02 0.00 -2.10 0.00 0.00 70.33 67.60 1sul n THR 142 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1sul n LYS 143 N -2.81 -1.17 0.29 -0.78 4.01 -0.92 -1.03 118.16 115.75 1sul n LYS 143 Ca 0.15 0.79 0.16 0.00 -0.51 0.00 0.00 58.31 58.90 1sul n LYS 143 Cb 0.52 -5.08 0.85 0.00 -0.51 0.00 0.00 35.03 30.81 1sul n LYS 143 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1sul h ALA 144 N 0.57 1.16 0.00 7.82 0.00 -1.54 -1.34 119.26 125.93 1sul h ALA 144 Ca -0.35 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1sul h ALA 144 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1sul h ALA 144 CO 0.43 0.07 0.00 0.38 0.00 0.00 0.00 179.25 180.13 1sul h ASP 145 N 0.00 0.00 0.35 0.00 2.03 -1.90 -2.54 116.42 114.36 1sul h ASP 145 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1sul h ASP 145 Cb 0.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.77 1sul h ASP 145 CO 0.01 0.00 -0.05 0.29 -1.03 0.00 0.00 179.24 178.46 1sul n LYS 146 N -2.85 0.69 -5.01 4.15 4.76 -0.50 -4.81 118.16 114.59 1sul n LYS 146 Ca 0.01 -0.14 -0.32 0.00 -2.87 0.00 0.00 58.31 54.99 1sul n LYS 146 Cb 0.27 -1.50 -0.15 0.00 -1.84 0.00 0.00 35.03 31.81 1sul n LYS 146 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1sul s ILE 147 N -2.40 2.58 0.38 -0.18 1.01 -0.96 -5.10 121.20 116.53 1sul s ILE 147 Ca 0.33 -0.85 -0.26 0.00 0.00 0.00 0.00 60.65 59.87 1sul s ILE 147 Cb 0.21 -2.03 -0.11 0.00 0.01 0.00 0.00 42.46 40.54 1sul s ILE 147 CO 0.45 0.55 1.19 -2.65 0.00 0.00 0.00 174.94 174.47 1sul n PRO 148 N 3.29 1.79 -0.33 2.79 -0.02 -1.26 -4.82 135.00 136.45 1sul n PRO 148 Ca -0.18 0.63 0.07 0.00 -2.02 0.00 0.00 63.50 62.00 1sul n PRO 148 Cb 0.53 -2.23 0.27 0.00 -0.02 0.00 0.00 33.50 32.04 1sul n PRO 148 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1sul h LYS 149 N 2.09 0.92 0.00 -0.52 1.57 -1.97 -0.00 116.57 118.66 1sul h LYS 149 Ca -0.46 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1sul h LYS 149 Cb 1.31 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1sul h LYS 149 CO 0.60 0.61 0.00 0.78 -0.57 0.00 0.00 179.45 180.87 1sul h GLY 150 N 0.95 0.00 -0.95 3.86 0.00 -2.03 -2.00 103.07 102.91 1sul h GLY 150 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.79 1sul h GLY 150 CO -0.22 0.00 -0.20 0.28 0.00 0.00 0.00 176.54 176.40 1sul n LYS 151 N -2.65 1.55 -0.23 4.80 4.76 -0.03 -4.61 118.16 121.75 1sul n LYS 151 Ca -0.02 -1.06 0.02 0.00 -2.87 0.00 0.00 58.31 54.39 1sul n LYS 151 Cb 0.05 -1.28 0.14 0.00 -1.84 0.00 0.00 35.03 32.11 1sul n LYS 151 CO 0.00 0.00 0.00 -1.49 -1.37 0.00 0.00 177.40 174.54 1sul h TRP 152 N 2.31 0.50 -0.37 2.13 6.55 -1.23 -1.77 115.95 124.07 1sul h TRP 152 Ca 0.00 0.03 -0.04 0.00 0.95 0.00 0.00 58.89 59.83 1sul h TRP 152 Cb 0.59 -0.12 -0.01 0.00 -0.86 0.00 0.00 29.16 28.76 1sul h TRP 152 CO 0.00 0.12 0.05 0.22 -1.05 0.00 0.00 178.44 177.78 1sul h ASP 153 N 0.47 0.59 -0.53 -3.49 3.58 -1.82 0.13 116.42 115.35 1sul h ASP 153 Ca 0.36 -0.26 0.08 0.00 0.42 0.00 0.00 57.03 57.62 1sul h ASP 153 Cb 0.47 -0.16 -0.06 0.00 1.72 0.00 0.00 39.33 41.30 1sul h ASP 153 CO -0.33 0.70 0.18 0.50 -2.88 0.00 0.00 179.24 177.40 1sul h LYS 154 N 0.45 0.33 -0.30 0.28 3.64 -1.78 -0.23 116.57 118.96 1sul h LYS 154 Ca 0.11 -0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.32 1sul h LYS 154 Cb 0.37 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1sul h LYS 154 CO 0.01 0.22 -0.43 0.45 -2.27 0.00 0.00 179.45 177.43 1sul h HIS 155 N 0.34 0.91 -0.46 1.91 3.86 -0.90 -2.34 115.15 118.48 1sul h HIS 155 Ca 0.26 -0.28 0.03 0.00 -1.16 0.00 0.00 60.37 59.22 1sul h HIS 155 Cb 0.31 -0.19 -0.04 0.00 1.06 0.00 0.00 27.41 28.56 1sul h HIS 155 CO -0.18 1.05 0.24 0.00 0.86 0.00 0.00 177.93 179.91 1sul h ALA 156 N 0.90 0.58 -0.63 2.45 0.00 -0.42 -2.13 119.26 120.01 1sul h ALA 156 Ca 0.04 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1sul h ALA 156 Cb 0.99 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1sul h ALA 156 CO 0.09 -0.10 0.31 0.87 0.00 0.00 0.00 179.25 180.43 1sul h LYS 157 N 0.48 0.89 -0.32 0.00 1.79 -0.67 0.10 116.57 118.84 1sul h LYS 157 Ca 0.20 -0.11 -0.01 0.00 -2.18 0.00 0.00 60.65 58.54 1sul h LYS 157 Cb 0.08 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.54 1sul h LYS 157 CO -0.12 0.68 0.14 0.28 -1.08 0.00 0.00 179.45 179.35 1sul h VAL 158 N 0.89 1.17 -0.03 0.50 2.07 -1.06 0.62 116.25 120.40 1sul h VAL 158 Ca 0.22 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 1sul h VAL 158 Cb 0.08 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1sul h VAL 158 CO -0.03 0.17 0.02 0.58 0.02 0.00 0.00 177.57 178.33 1sul h VAL 159 N 0.37 1.03 -0.53 2.57 2.07 -0.84 -1.43 116.25 119.50 1sul h VAL 159 Ca 0.11 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 1sul h VAL 159 Cb 0.14 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1sul h VAL 159 CO -0.01 0.03 0.31 -0.09 0.02 0.00 0.00 177.57 177.82 1sul h ARG 160 N 0.01 0.72 -0.02 1.57 2.43 -0.76 -1.52 114.38 116.81 1sul h ARG 160 Ca 0.01 -0.07 -0.16 0.00 -0.81 0.00 0.00 59.98 58.95 1sul h ARG 160 Cb 0.03 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 1sul h ARG 160 CO -0.00 0.54 -0.74 1.96 -1.51 0.00 0.00 179.97 180.22 1sul h GLN 161 N 0.70 0.12 -0.03 0.20 4.20 -0.87 0.21 115.11 119.65 1sul h GLN 161 Ca 0.19 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 1sul h GLN 161 Cb 0.01 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 1sul h GLN 161 CO -0.03 0.80 0.00 1.15 -0.67 0.00 0.00 178.83 180.08 1sul h THR 162 N 0.08 1.21 0.00 -0.54 2.02 -1.04 -3.06 112.91 111.57 1sul h THR 162 Ca -0.02 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.55 1sul h THR 162 Cb 1.30 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 69.28 1sul h THR 162 CO 0.11 0.16 0.00 -0.07 0.37 0.00 0.00 175.52 176.09 1sul h LEU 163 N -0.20 0.00 -2.25 2.58 3.38 -1.23 -3.47 115.31 114.11 1sul h LEU 163 Ca 0.01 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.64 1sul h LEU 163 Cb 0.26 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.15 1sul h LEU 163 CO 0.00 0.00 -0.85 -3.20 0.09 0.00 0.00 178.44 174.48 1sul n ASN 164 N -2.95 -4.14 -4.67 -0.43 4.05 0.71 -4.88 115.26 102.95 1sul n ASN 164 Ca 0.03 -0.77 -0.46 0.00 0.45 0.00 0.00 54.58 53.83 1sul n ASN 164 Cb 0.41 -4.61 -0.04 0.00 1.23 0.00 0.00 39.78 36.78 1sul n ASN 164 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 177.26 173.83 1sul n ILE 165 N -3.83 0.11 -1.95 -1.44 5.41 -0.95 -4.94 119.36 111.77 1sul n ILE 165 Ca -0.18 -0.03 -0.41 0.00 1.00 0.00 0.00 62.75 63.14 1sul n ILE 165 Cb 0.64 -1.55 -0.01 0.00 -0.71 0.00 0.00 39.64 38.02 1sul n ILE 165 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1sul s ASP 166 N 0.84 6.47 0.63 4.38 2.15 -1.26 -4.90 116.67 124.98 1sul s ASP 166 Ca 0.77 2.86 0.34 0.00 0.43 0.00 0.00 52.55 56.95 1sul s ASP 166 Cb -0.67 -2.66 1.89 0.00 -0.30 0.00 0.00 42.92 41.19 1sul s ASP 166 CO 0.39 -0.76 2.16 -0.65 -0.17 0.00 0.00 175.17 176.14 1sul h PRO 167 N 3.06 0.00 0.00 4.34 0.11 -2.04 -1.47 132.00 136.00 1sul h PRO 167 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1sul h PRO 167 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1sul h PRO 167 CO 0.64 0.00 -0.22 0.39 -0.21 0.00 0.00 178.00 178.60 1sul n GLU 168 N -3.43 0.06 -3.61 1.05 1.02 -1.26 -4.87 120.64 109.60 1sul n GLU 168 Ca -0.01 0.03 -0.35 0.00 -0.02 0.00 0.00 57.16 56.81 1sul n GLU 168 Cb 0.24 -1.55 -0.06 0.00 -0.02 0.00 0.00 31.44 30.05 1sul n GLU 168 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1sul s ASP 169 N -3.30 6.64 0.24 1.62 1.01 -0.56 -4.96 116.67 117.36 1sul s ASP 169 Ca 0.12 0.77 -0.13 0.00 0.71 0.00 0.00 52.55 54.02 1sul s ASP 169 Cb 0.17 -2.17 -0.08 0.00 1.01 0.00 0.00 42.92 41.85 1sul s ASP 169 CO 0.61 0.23 0.62 -1.61 0.21 0.00 0.00 175.17 175.24 1sul s GLU 170 N -1.66 3.95 -0.19 8.23 2.02 -1.24 -4.86 118.70 124.95 1sul s GLU 170 Ca 0.29 0.50 -0.01 0.00 0.02 0.00 0.00 54.97 55.77 1sul s GLU 170 Cb -0.14 -2.67 0.00 0.00 0.10 0.00 0.00 34.13 31.42 1sul s GLU 170 CO 0.16 0.31 -0.13 -1.17 0.02 0.00 0.00 175.26 174.46 1sul s LEU 171 N -2.58 2.53 -0.12 1.80 2.96 -1.26 -1.14 118.68 120.87 1sul s LEU 171 Ca 0.47 -0.50 0.03 0.00 -0.22 0.00 0.00 54.13 53.91 1sul s LEU 171 Cb -0.12 -1.60 0.01 0.00 0.50 0.00 0.00 46.19 44.97 1sul s LEU 171 CO 0.20 0.02 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.41 1sul s ILE 172 N 1.23 1.86 0.05 6.68 1.01 0.60 -5.01 121.20 127.62 1sul s ILE 172 Ca 0.03 -0.88 -0.22 0.00 0.00 0.00 0.00 60.65 59.58 1sul s ILE 172 Cb -0.14 -1.65 -0.06 0.00 0.01 0.00 0.00 42.46 40.62 1sul s ILE 172 CO -0.06 0.51 0.66 -0.76 0.00 0.00 0.00 174.94 175.30 1sul s LEU 173 N 0.73 4.48 0.02 2.97 1.43 -1.26 -0.88 118.68 126.16 1sul s LEU 173 Ca -0.10 1.33 0.00 0.00 -1.03 0.00 0.00 54.13 54.33 1sul s LEU 173 Cb -0.16 -3.05 -0.02 0.00 0.03 0.00 0.00 46.19 42.99 1sul s LEU 173 CO 0.01 0.14 -0.03 0.12 0.23 0.00 0.00 176.35 176.82 1sul s PHE 174 N -0.52 0.27 -0.06 0.29 5.36 -0.19 -3.74 117.98 119.39 1sul s PHE 174 Ca 0.33 -0.42 -0.00 0.00 -0.96 0.00 0.00 56.93 55.88 1sul s PHE 174 Cb -0.20 -0.19 0.03 0.00 -0.34 0.00 0.00 43.02 42.32 1sul s PHE 174 CO 0.20 -0.14 -0.02 0.45 -1.46 0.00 0.00 175.22 174.26 1sul s SER 175 N -1.17 1.38 0.44 6.13 0.15 -0.40 -1.63 113.70 118.61 1sul s SER 175 Ca -0.12 -0.12 0.30 0.00 0.70 0.00 0.00 55.95 56.72 1sul s SER 175 Cb -0.08 -0.47 1.36 0.00 -1.71 0.00 0.00 66.02 65.12 1sul s SER 175 CO -0.01 -0.14 1.91 0.28 1.20 0.00 0.00 173.24 176.49 1sul h SER 176 N 7.89 0.00 0.00 5.45 0.02 -1.94 0.36 113.55 125.32 1sul h SER 176 Ca -0.27 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.61 1sul h SER 176 Cb 1.13 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 1sul h SER 176 CO 0.35 0.00 -0.61 -0.08 -1.14 0.00 0.00 176.83 175.35 1sul h GLU 177 N 0.00 0.00 -0.00 3.45 4.57 -1.96 -3.38 114.58 117.26 1sul h GLU 177 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1sul h GLU 177 Cb 0.33 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 1sul h GLU 177 CO 0.00 0.36 -0.18 0.25 -1.18 0.00 0.00 179.01 178.26 1sul n THR 178 N -4.59 0.00 -1.14 0.32 -2.24 -1.24 -4.90 114.28 100.49 1sul n THR 178 Ca -0.13 -0.04 -0.05 0.00 -2.27 0.00 0.00 64.05 61.56 1sul n THR 178 Cb 0.36 -0.07 -0.02 0.00 -2.10 0.00 0.00 70.33 68.50 1sul n THR 178 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1sul n LYS 179 N -1.16 -1.11 -1.68 -0.78 4.76 0.12 -4.96 118.16 113.36 1sul n LYS 179 Ca 0.11 0.56 -0.44 0.00 -2.87 0.00 0.00 58.31 55.67 1sul n LYS 179 Cb 0.31 -4.53 -0.01 0.00 -1.84 0.00 0.00 35.03 28.95 1sul n LYS 179 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1sul n LYS 180 N -1.33 2.03 -0.88 1.97 4.81 -1.17 -1.69 118.16 121.90 1sul n LYS 180 Ca -0.05 0.72 0.00 0.00 -0.87 0.00 0.00 58.31 58.11 1sul n LYS 180 Cb 0.35 -2.31 0.00 0.00 0.02 0.00 0.00 35.03 33.09 1sul n LYS 180 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1sul n GLY 181 N 1.35 1.19 0.10 3.14 0.00 -1.25 -1.27 105.19 108.46 1sul n GLY 181 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 1sul n GLY 181 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1sul h LYS 182 N 2.94 0.20 -0.51 1.61 3.64 -1.65 0.76 116.57 123.56 1sul h LYS 182 Ca 0.00 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1sul h LYS 182 Cb 0.00 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1sul h LYS 182 CO 0.00 0.54 0.29 -0.44 -2.27 0.00 0.00 179.45 177.57 1sul h ASP 183 N -0.15 0.63 -0.62 4.20 3.32 -1.91 -1.30 116.42 120.59 1sul h ASP 183 Ca 0.02 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 1sul h ASP 183 Cb 0.47 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 1sul h ASP 183 CO 0.01 0.52 0.26 -0.33 -1.72 0.00 0.00 179.24 177.99 1sul h GLU 184 N 0.69 0.93 -0.13 3.56 3.07 -1.93 0.13 114.58 120.90 1sul h GLU 184 Ca 0.18 -0.16 -0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1sul h GLU 184 Cb 0.02 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.77 1sul h GLU 184 CO -0.03 0.78 0.07 0.00 -1.40 0.00 0.00 179.01 178.42 1sul h ALA 185 N 1.10 0.17 -0.81 3.43 0.00 -0.62 -0.76 119.26 121.77 1sul h ALA 185 Ca 0.21 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.11 1sul h ALA 185 Cb 0.19 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 1sul h ALA 185 CO -0.02 -0.28 0.50 -1.49 0.00 0.00 0.00 179.25 177.96 1sul h TRP 186 N 0.10 0.92 -0.47 0.00 4.06 -0.99 0.29 115.95 119.86 1sul h TRP 186 Ca 0.05 0.03 0.05 0.00 2.06 0.00 0.00 58.89 61.07 1sul h TRP 186 Cb 0.10 -0.29 -0.05 0.00 -1.00 0.00 0.00 29.16 27.92 1sul h TRP 186 CO -0.04 0.46 0.20 0.78 -3.56 0.00 0.00 178.44 176.29 1sul h GLY 187 N 0.91 0.64 1.57 1.49 0.00 -0.24 0.14 103.07 107.57 1sul h GLY 187 Ca 0.35 -0.13 -0.13 0.00 0.00 0.00 0.00 47.33 47.42 1sul h GLY 187 CO -0.17 0.06 -0.44 0.00 0.00 0.00 0.00 176.54 175.99 1sul h ALA 188 N 1.28 0.89 -0.35 3.60 0.00 -0.71 -1.19 119.26 122.78 1sul h ALA 188 Ca 0.21 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1sul h ALA 188 Cb 0.17 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1sul h ALA 188 CO -0.18 0.65 0.15 0.82 0.00 0.00 0.00 179.25 180.68 1sul h ILE 189 N 0.38 1.18 -0.84 0.00 2.04 -0.53 -1.96 117.51 117.78 1sul h ILE 189 Ca 0.03 -0.53 -0.03 0.00 1.00 0.00 0.00 64.86 65.33 1sul h ILE 189 Cb 0.93 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 1sul h ILE 189 CO 0.08 0.19 0.40 0.11 0.00 0.00 0.00 178.15 178.93 1sul h LYS 190 N 0.43 1.21 -0.89 2.37 1.79 -0.77 -0.70 116.57 120.01 1sul h LYS 190 Ca 0.12 -0.18 0.06 0.00 -2.18 0.00 0.00 60.65 58.46 1sul h LYS 190 Cb 0.16 -0.22 -0.06 0.00 -1.58 0.00 0.00 32.23 30.53 1sul h LYS 190 CO -0.01 0.93 0.56 0.87 -1.08 0.00 0.00 179.45 180.72 1sul h LYS 191 N 1.20 1.00 0.01 3.15 1.57 -0.96 -2.11 116.57 120.43 1sul h LYS 191 Ca 0.29 -0.06 -0.20 0.00 -1.87 0.00 0.00 60.65 58.80 1sul h LYS 191 Cb 0.13 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1sul h LYS 191 CO -0.04 0.66 -0.91 0.52 -0.57 0.00 0.00 179.45 179.11 1sul h MET 192 N 1.03 0.20 0.00 3.15 2.86 -0.65 -3.21 114.93 118.31 1sul h MET 192 Ca 0.38 -0.23 -0.02 0.00 -2.06 0.00 0.00 59.70 57.77 1sul h MET 192 Cb 0.14 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 1sul h MET 192 CO -0.16 0.98 -0.08 0.82 1.06 0.00 0.00 176.91 179.52 1sul h ILE 193 N 0.10 0.17 -0.43 -1.22 2.04 -0.84 -3.29 117.51 114.04 1sul h ILE 193 Ca -0.05 -0.95 -0.23 0.00 1.00 0.00 0.00 64.86 64.64 1sul h ILE 193 Cb 1.56 1.81 -0.13 0.00 -0.74 0.00 0.00 36.82 39.31 1sul h ILE 193 CO 0.14 0.08 -0.02 -0.46 0.00 0.00 0.00 178.15 177.89 1sul n ASN 194 N -3.16 2.64 -0.58 1.72 6.94 -0.82 -4.97 115.26 117.04 1sul n ASN 194 Ca 0.02 -3.79 0.14 0.00 -0.02 0.00 0.00 54.58 50.93 1sul n ASN 194 Cb 0.45 -0.66 0.44 0.00 -2.36 0.00 0.00 39.78 37.65 1sul n ASN 194 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77