#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 4.08 -0.27 2.12 -2.85 -1.26 -4.99 119.74 116.57 1sul s LYS 2 Ca 0.00 1.41 -0.22 0.00 -1.00 0.00 0.00 55.97 56.15 1sul s LYS 2 Cb 0.00 -3.80 -0.01 0.00 -2.06 0.00 0.00 37.83 31.96 1sul s LYS 2 CO 0.00 -0.90 0.73 0.08 0.10 0.00 0.00 175.35 175.35 1sul s VAL 3 N 3.89 4.89 -1.01 1.79 1.01 -1.26 -4.89 120.40 124.81 1sul s VAL 3 Ca 0.54 1.23 0.14 0.00 0.00 0.00 0.00 61.98 63.89 1sul s VAL 3 Cb -0.18 -4.05 -0.07 0.00 0.00 0.00 0.00 36.38 32.08 1sul s VAL 3 CO 0.18 -0.09 0.70 0.35 0.00 0.00 0.00 175.10 176.23 1sul n THR 4 N 5.33 0.00 -3.76 3.92 -2.24 -1.26 -4.88 114.28 111.39 1sul n THR 4 Ca 0.02 -0.27 -0.13 0.00 -2.27 0.00 0.00 64.05 61.40 1sul n THR 4 Cb 0.48 1.09 -0.11 0.00 -2.10 0.00 0.00 70.33 69.70 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 -2.00 0.39 -0.23 -0.78 2.20 -1.26 -5.00 119.74 113.05 1sul s LYS 5 Ca 0.09 0.45 -0.14 0.00 -0.36 0.00 0.00 55.97 56.00 1sul s LYS 5 Cb 0.11 0.19 0.07 0.00 -1.51 0.00 0.00 37.83 36.69 1sul s LYS 5 CO 0.46 -0.05 0.58 -1.54 -0.36 0.00 0.00 175.35 174.44 1sul s SER 6 N 0.15 -0.75 0.01 1.43 1.04 -1.26 -1.34 113.70 112.99 1sul s SER 6 Ca -0.00 1.25 -0.11 0.00 0.48 0.00 0.00 55.95 57.57 1sul s SER 6 Cb -0.02 1.15 0.01 0.00 0.10 0.00 0.00 66.02 67.26 1sul s SER 6 CO 0.01 -0.22 0.23 -1.61 0.98 0.00 0.00 173.24 172.63 1sul s GLU 7 N 1.34 0.65 -0.12 4.02 2.02 -0.93 -5.00 118.70 120.67 1sul s GLU 7 Ca -0.08 -0.42 -0.29 0.00 0.02 0.00 0.00 54.97 54.20 1sul s GLU 7 Cb -0.06 0.28 -0.01 0.00 0.10 0.00 0.00 34.13 34.43 1sul s GLU 7 CO -0.14 -0.18 0.98 -1.50 0.02 0.00 0.00 175.26 174.44 1sul s ILE 8 N -1.88 4.79 -0.13 -1.63 2.07 -1.26 -1.10 121.20 122.06 1sul s ILE 8 Ca -0.10 1.98 -0.26 0.00 -1.41 0.00 0.00 60.65 60.86 1sul s ILE 8 Cb -0.04 -4.29 -0.23 0.00 0.13 0.00 0.00 42.46 38.03 1sul s ILE 8 CO 0.00 -0.00 0.69 0.58 -1.91 0.00 0.00 174.94 174.30 1sul h VAL 9 N 5.13 1.59 -2.23 4.00 2.07 -0.74 -3.47 116.25 122.60 1sul h VAL 9 Ca -0.30 -2.17 0.03 0.00 0.82 0.00 0.00 66.70 65.07 1sul h VAL 9 Cb 1.14 2.99 -0.17 0.00 -1.52 0.00 0.00 31.29 33.72 1sul h VAL 9 CO 0.86 0.53 0.35 0.27 0.02 0.00 0.00 177.57 179.61 1sul s ILE 10 N -2.18 0.00 -0.48 4.57 -5.25 -1.22 -5.04 121.20 111.60 1sul s ILE 10 Ca -0.17 0.00 -0.11 0.00 -0.99 0.00 0.00 60.65 59.39 1sul s ILE 10 Cb -0.03 -1.00 0.12 0.00 2.95 0.00 0.00 42.46 44.50 1sul s ILE 10 CO 0.61 0.00 0.37 -0.44 -1.79 0.00 0.00 174.94 173.69 1sul s SER 11 N -1.90 5.81 -0.49 4.36 0.01 -1.26 -1.73 113.70 118.48 1sul s SER 11 Ca -0.02 -1.86 -0.24 0.00 1.31 0.00 0.00 55.95 55.15 1sul s SER 11 Cb -0.01 -2.05 0.03 0.00 0.21 0.00 0.00 66.02 64.21 1sul s SER 11 CO -0.03 -0.72 0.85 0.00 0.41 0.00 0.00 173.24 173.76 1sul s ALA 12 N 1.42 3.24 -0.97 1.44 0.00 -0.13 -4.89 121.76 121.87 1sul s ALA 12 Ca 0.05 -1.12 0.27 0.00 0.00 0.00 0.00 51.96 51.17 1sul s ALA 12 Cb -0.27 -3.59 0.89 0.00 0.00 0.00 0.00 23.12 20.15 1sul s ALA 12 CO 0.00 -2.13 1.69 1.33 0.00 0.00 0.00 175.76 176.66 1sul n VAL 13 N 6.17 0.04 -3.75 0.00 0.24 -1.26 -1.28 118.33 118.48 1sul n VAL 13 Ca 0.02 -0.03 -0.11 0.00 -2.04 0.00 0.00 64.34 62.18 1sul n VAL 13 Cb 0.48 -0.19 -0.07 0.00 -1.47 0.00 0.00 33.84 32.59 1sul n VAL 13 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1sul s LYS 14 N -3.01 0.85 0.53 7.34 -2.85 -1.26 -4.74 119.74 116.59 1sul s LYS 14 Ca 0.12 -0.60 0.19 0.00 -1.00 0.00 0.00 55.97 54.69 1sul s LYS 14 Cb 0.18 0.36 1.32 0.00 -2.06 0.00 0.00 37.83 37.63 1sul s LYS 14 CO 0.61 -0.28 2.11 -1.35 0.10 0.00 0.00 175.35 176.54 1sul h PRO 15 N 3.05 0.00 0.00 1.78 0.11 -1.95 0.20 132.00 135.19 1sul h PRO 15 Ca -0.32 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.78 1sul h PRO 15 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1sul h PRO 15 CO 0.48 0.00 -0.02 0.93 -0.21 0.00 0.00 178.00 179.18 1sul h GLU 16 N 0.00 0.00 0.00 1.05 3.07 -2.00 -1.07 114.58 115.64 1sul h GLU 16 Ca 0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 1sul h GLU 16 Cb 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 1sul h GLU 16 CO -0.00 0.02 -0.48 1.04 -1.40 0.00 0.00 179.01 178.19 1sul n GLN 17 N -3.30 0.15 -1.75 2.33 6.02 0.06 -4.90 117.38 115.99 1sul n GLN 17 Ca -0.02 0.05 -0.42 0.00 -0.01 0.00 0.00 57.00 56.60 1sul n GLN 17 Cb 0.13 -1.61 -0.00 0.00 1.02 0.00 0.00 30.24 29.78 1sul n GLN 17 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1sul n TYR 18 N -1.83 2.79 -1.79 1.08 0.53 -0.41 -4.87 117.16 112.65 1sul n TYR 18 Ca 0.05 0.46 -0.39 0.00 -1.02 0.00 0.00 57.90 57.00 1sul n TYR 18 Cb 0.39 -2.50 0.03 0.00 -1.03 0.00 0.00 39.34 36.23 1sul n TYR 18 CO 0.00 0.00 0.00 -2.14 -1.02 0.00 0.00 176.86 173.70 1sul s PRO 19 N -1.93 3.34 0.24 -0.72 0.02 -1.26 -5.03 135.00 129.66 1sul s PRO 19 Ca 0.55 2.30 0.10 0.00 0.02 0.00 0.00 61.00 63.96 1sul s PRO 19 Cb -0.50 -2.40 -0.04 0.00 0.02 0.00 0.00 34.50 31.57 1sul s PRO 19 CO 0.62 -1.05 -0.08 -1.21 -0.33 0.00 0.00 177.00 174.95 1sul s GLU 20 N -2.74 2.06 0.00 5.54 2.02 -1.26 -4.80 118.70 119.51 1sul s GLU 20 Ca 0.68 -1.46 0.00 0.00 0.02 0.00 0.00 54.97 54.21 1sul s GLU 20 Cb -0.42 -2.06 0.00 0.00 0.10 0.00 0.00 34.13 31.76 1sul s GLU 20 CO 0.51 0.38 0.00 0.41 0.02 0.00 0.00 175.26 176.58 1sul n GLY 21 N -0.52 1.34 2.01 -1.39 0.00 -1.26 -4.87 105.19 100.50 1sul n GLY 21 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 0.58 3.75 -0.02 0.00 -1.26 -5.01 105.19 103.23 1sul n GLY 22 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 3.85 0.42 0.99 1.43 -1.26 -4.93 118.68 119.18 1sul s LEU 23 Ca 0.00 2.70 -0.26 0.00 -1.03 0.00 0.00 54.13 55.54 1sul s LEU 23 Cb 0.00 -4.30 -0.09 0.00 0.03 0.00 0.00 46.19 41.83 1sul s LEU 23 CO 0.00 -1.53 1.42 -2.65 0.23 0.00 0.00 176.35 173.82 1sul n PRO 24 N -1.04 2.33 -5.13 1.29 -0.02 -1.26 -4.78 135.00 126.39 1sul n PRO 24 Ca 0.10 0.82 -0.31 0.00 -2.02 0.00 0.00 63.50 62.10 1sul n PRO 24 Cb 0.46 -2.60 -0.15 0.00 -0.02 0.00 0.00 33.50 31.18 1sul n PRO 24 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1sul s GLU 25 N -2.30 2.02 -0.15 -0.52 2.02 -0.15 -1.50 118.70 118.13 1sul s GLU 25 Ca 0.59 -0.98 0.01 0.00 0.02 0.00 0.00 54.97 54.61 1sul s GLU 25 Cb -0.47 -2.04 0.02 0.00 0.10 0.00 0.00 34.13 31.74 1sul s GLU 25 CO 0.60 0.55 -0.17 0.42 0.02 0.00 0.00 175.26 176.67 1sul s ILE 26 N -0.69 1.76 0.05 -1.63 -1.09 -0.52 -0.62 121.20 118.45 1sul s ILE 26 Ca 0.11 -0.77 -0.00 0.00 -2.23 0.00 0.00 60.65 57.76 1sul s ILE 26 Cb -0.10 -1.61 -0.04 0.00 -1.58 0.00 0.00 42.46 39.13 1sul s ILE 26 CO 0.00 0.49 0.18 0.00 -1.23 0.00 0.00 174.94 174.38 1sul s ALA 27 N 1.24 3.92 -0.05 9.38 0.00 -0.89 0.42 121.76 135.77 1sul s ALA 27 Ca 0.01 -0.85 0.04 0.00 0.00 0.00 0.00 51.96 51.16 1sul s ALA 27 Cb -0.14 -1.77 -0.00 0.00 0.00 0.00 0.00 23.12 21.21 1sul s ALA 27 CO -0.08 0.80 -0.19 -0.51 0.00 0.00 0.00 175.76 175.78 1sul s LEU 28 N -2.36 1.94 0.05 0.00 2.01 -0.24 0.71 118.68 120.80 1sul s LEU 28 Ca 0.32 -0.40 -0.04 0.00 0.01 0.00 0.00 54.13 54.02 1sul s LEU 28 Cb -0.13 -1.08 -0.02 0.00 0.01 0.00 0.00 46.19 44.97 1sul s LEU 28 CO 0.25 0.16 0.05 0.00 1.01 0.00 0.00 176.35 177.82 1sul s ALA 29 N 0.08 0.16 0.00 4.21 0.00 -0.59 -1.26 121.76 124.36 1sul s ALA 29 Ca -0.06 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.06 1sul s ALA 29 Cb -0.13 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.29 1sul s ALA 29 CO 0.03 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 175.84 1sul n GLY 30 N 0.40 -0.76 0.22 0.00 0.00 -1.26 -1.20 105.19 102.59 1sul n GLY 30 Ca -0.17 -1.03 -0.14 0.00 0.00 0.00 0.00 46.02 44.69 1sul n GLY 30 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1sul h ARG 31 N 0.00 0.71 -5.98 1.61 3.08 -1.93 -0.34 114.38 111.53 1sul h ARG 31 Ca 0.00 -0.51 -0.69 0.00 0.07 0.00 0.00 59.98 58.85 1sul h ARG 31 Cb 0.00 0.09 -0.31 0.00 0.08 0.00 0.00 29.97 29.83 1sul h ARG 31 CO 0.00 1.13 -0.87 0.45 -1.07 0.00 0.00 179.97 179.61 1sul s SER 32 N -7.00 3.20 0.20 7.04 0.15 -1.26 -1.24 113.70 114.78 1sul s SER 32 Ca -0.09 -0.48 0.09 0.00 0.70 0.00 0.00 55.95 56.17 1sul s SER 32 Cb 0.10 -0.90 0.08 0.00 -1.71 0.00 0.00 66.02 63.58 1sul s SER 32 CO 0.88 0.25 1.45 0.78 1.20 0.00 0.00 173.24 177.79 1sul h ASN 33 N 6.07 0.00 0.44 5.45 2.35 -1.88 -2.83 115.58 125.18 1sul h ASN 33 Ca -0.32 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.41 1sul h ASN 33 Cb 1.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.55 1sul h ASN 33 CO 0.48 0.79 -0.21 0.58 -1.65 0.00 0.00 177.43 177.42 1sul h VAL 34 N 0.00 0.57 -0.38 2.81 2.07 -1.95 0.68 116.25 120.04 1sul h VAL 34 Ca -0.01 -0.01 -0.09 0.00 0.82 0.00 0.00 66.70 67.41 1sul h VAL 34 Cb 1.43 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 1sul h VAL 34 CO 0.10 0.00 -0.14 1.23 0.02 0.00 0.00 177.57 178.79 1sul h GLY 35 N -0.60 0.74 1.06 2.17 0.00 -2.00 -2.12 103.07 102.31 1sul h GLY 35 Ca -0.06 -0.56 -0.16 0.00 0.00 0.00 0.00 47.33 46.55 1sul h GLY 35 CO 0.10 0.51 -0.46 1.70 0.00 0.00 0.00 176.54 178.39 1sul h LYS 36 N 0.62 0.78 -0.58 4.80 3.64 -1.32 -2.14 116.57 122.37 1sul h LYS 36 Ca 0.10 -0.48 -0.06 0.00 -1.27 0.00 0.00 60.65 58.94 1sul h LYS 36 Cb 0.59 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 1sul h LYS 36 CO 0.04 1.11 0.13 0.77 -2.27 0.00 0.00 179.45 179.23 1sul h SER 37 N 0.53 0.88 -0.66 4.20 0.02 0.49 -1.79 113.55 117.22 1sul h SER 37 Ca 0.02 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.72 1sul h SER 37 Cb 1.06 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.34 1sul h SER 37 CO 0.10 0.90 0.38 0.28 -1.14 0.00 0.00 176.83 177.35 1sul h SER 38 N 0.83 0.82 -0.10 3.07 0.02 -1.33 0.40 113.55 117.26 1sul h SER 38 Ca 0.18 -0.09 0.02 0.00 -0.84 0.00 0.00 61.79 61.06 1sul h SER 38 Cb 0.37 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 1sul h SER 38 CO 0.00 0.67 0.01 0.15 -1.14 0.00 0.00 176.83 176.52 1sul h PHE 39 N 0.91 0.01 0.03 3.45 3.57 -1.25 0.79 116.94 124.44 1sul h PHE 39 Ca 0.24 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 1sul h PHE 39 Cb 0.02 0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1sul h PHE 39 CO -0.01 -0.01 -0.01 0.82 -2.23 0.00 0.00 178.31 176.87 1sul h ILE 40 N 0.04 1.00 -0.81 1.41 2.04 -0.75 -1.46 117.51 118.98 1sul h ILE 40 Ca 0.05 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 1sul h ILE 40 Cb 0.05 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 1sul h ILE 40 CO -0.08 0.02 0.44 0.78 0.00 0.00 0.00 178.15 179.31 1sul h ASN 41 N -0.07 1.01 -0.34 1.72 2.35 -0.87 -1.69 115.58 117.70 1sul h ASN 41 Ca -0.00 -0.09 0.02 0.00 -0.55 0.00 0.00 56.30 55.67 1sul h ASN 41 Cb 0.06 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 1sul h ASN 41 CO 0.01 0.82 0.19 0.28 -1.65 0.00 0.00 177.43 177.08 1sul h SER 42 N 1.14 0.30 -0.16 5.81 0.02 -0.57 -0.69 113.55 119.39 1sul h SER 42 Ca 0.29 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.20 1sul h SER 42 Cb 0.04 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 1sul h SER 42 CO -0.05 0.22 -0.00 -0.07 -1.14 0.00 0.00 176.83 175.79 1sul h LEU 43 N 0.39 0.37 -2.84 5.07 4.07 -0.68 -3.01 115.31 118.68 1sul h LEU 43 Ca 0.14 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.04 1sul h LEU 43 Cb 0.02 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.66 1sul h LEU 43 CO -0.07 0.44 0.00 2.30 -1.08 0.00 0.00 178.44 180.02 1sul n ILE 44 N -4.32 1.15 -3.52 1.22 -5.35 -0.69 -4.79 119.36 103.06 1sul n ILE 44 Ca 0.01 -1.04 -0.19 0.00 -0.27 0.00 0.00 62.75 61.26 1sul n ILE 44 Cb 0.21 0.43 0.07 0.00 -1.74 0.00 0.00 39.64 38.62 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 1.42 -2.05 -4.11 7.28 3.02 -0.86 -4.86 115.26 115.11 1sul n ASN 45 Ca 0.23 -0.70 -0.16 0.00 -0.03 0.00 0.00 54.58 53.92 1sul n ASN 45 Cb 0.65 -4.72 -0.12 0.00 -0.61 0.00 0.00 39.78 34.97 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 -5.53 0.67 -0.01 3.52 1.81 -0.32 -5.05 118.95 114.03 1sul s ARG 46 Ca 0.04 -0.81 -0.22 0.00 -1.72 0.00 0.00 55.73 53.02 1sul s ARG 46 Cb -0.01 -0.56 -0.20 0.00 -0.45 0.00 0.00 34.95 33.74 1sul s ARG 46 CO 0.76 0.12 1.18 0.87 -0.68 0.00 0.00 175.30 177.55 1sul h LYS 47 N 4.53 0.27 -0.13 3.54 1.79 -1.96 -3.38 116.57 121.22 1sul h LYS 47 Ca -0.38 -0.21 -0.24 0.00 -2.18 0.00 0.00 60.65 57.65 1sul h LYS 47 Cb 1.20 0.04 -0.18 0.00 -1.58 0.00 0.00 32.23 31.70 1sul h LYS 47 CO 0.41 0.85 -0.46 0.27 -1.08 0.00 0.00 179.45 179.44 1sul n ASN 48 N -4.50 -1.42 -0.08 0.86 6.94 -1.26 -4.94 115.26 110.85 1sul n ASN 48 Ca -0.08 -2.47 -0.11 0.00 -0.02 0.00 0.00 54.58 51.89 1sul n ASN 48 Cb 0.46 0.79 -0.04 0.00 -2.36 0.00 0.00 39.78 38.62 1sul n ASN 48 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1sul h LEU 49 N 2.08 0.45 -9.20 -4.53 5.85 -1.95 -3.42 115.31 104.60 1sul h LEU 49 Ca -0.27 -0.34 -0.57 0.00 0.84 0.00 0.00 57.88 57.54 1sul h LEU 49 Cb 1.28 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 42.13 1sul h LEU 49 CO -0.00 0.68 0.39 0.00 -0.34 0.00 0.00 178.44 179.17 1sul s ALA 50 N -4.87 3.48 0.00 1.25 0.00 -1.26 -4.90 121.76 115.46 1sul s ALA 50 Ca -0.14 0.10 0.12 0.00 0.00 0.00 0.00 51.96 52.04 1sul s ALA 50 Cb 0.07 -3.24 0.19 0.00 0.00 0.00 0.00 23.12 20.15 1sul s ALA 50 CO 0.75 -0.59 1.06 0.54 0.00 0.00 0.00 175.76 177.52 1sul n ARG 51 N 5.06 0.00 -1.53 0.00 5.12 -1.26 -4.83 116.66 119.21 1sul n ARG 51 Ca 0.05 -1.42 -0.47 0.00 -1.93 0.00 0.00 57.85 54.08 1sul n ARG 51 Cb 0.49 -0.24 -0.03 0.00 -1.16 0.00 0.00 32.46 31.52 1sul n ARG 51 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1sul n THR 52 N 0.22 1.71 -4.36 0.55 -1.04 -1.26 -5.01 114.28 105.08 1sul n THR 52 Ca 0.02 -0.43 -0.26 0.00 -2.04 0.00 0.00 64.05 61.34 1sul n THR 52 Cb 0.90 -0.67 -0.10 0.00 -1.82 0.00 0.00 70.33 68.63 1sul n THR 52 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1sul s SER 53 N -0.54 3.86 -0.10 8.00 0.15 -1.26 -4.84 113.70 118.98 1sul s SER 53 Ca 0.64 -0.75 0.14 0.00 0.70 0.00 0.00 55.95 56.68 1sul s SER 53 Cb -0.81 -0.49 0.21 0.00 -1.71 0.00 0.00 66.02 63.22 1sul s SER 53 CO 0.57 0.10 1.11 -1.20 1.20 0.00 0.00 173.24 175.02 1sul n SER 54 N -0.00 2.21 -4.73 5.45 7.64 -1.26 -4.54 113.62 118.38 1sul n SER 54 Ca -0.11 -2.79 -0.35 0.00 1.01 0.00 0.00 58.87 56.64 1sul n SER 54 Cb 0.56 -0.32 0.08 0.00 -1.01 0.00 0.00 64.21 63.52 1sul n SER 54 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1sul s LYS 55 N -2.35 2.36 0.21 1.43 1.02 -1.26 -4.75 119.74 116.40 1sul s LYS 55 Ca 0.23 1.76 -0.32 0.00 0.02 0.00 0.00 55.97 57.67 1sul s LYS 55 Cb 0.20 -1.86 -0.15 0.00 -0.52 0.00 0.00 37.83 35.51 1sul s LYS 55 CO 0.02 -1.66 1.23 -2.30 -0.92 0.00 0.00 175.35 171.72 1sul n PRO 56 N -2.44 1.47 0.00 -1.68 -0.02 -1.26 -0.47 135.00 130.59 1sul n PRO 56 Ca 0.13 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1sul n PRO 56 Cb 0.50 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1sul n PRO 56 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sul n GLY 57 N 1.98 3.20 0.72 -1.23 0.00 -1.26 -4.87 105.19 103.73 1sul n GLY 57 Ca 0.13 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.24 1sul n GLY 57 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sul n LYS 58 N -1.42 1.59 0.27 1.61 4.76 0.38 -4.67 118.16 120.67 1sul n LYS 58 Ca 0.00 -1.65 0.17 0.00 -2.87 0.00 0.00 58.31 53.96 1sul n LYS 58 Cb 0.00 -1.33 0.62 0.00 -1.84 0.00 0.00 35.03 32.48 1sul n LYS 58 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 1sul h THR 59 N 3.21 0.00 -0.68 -0.18 1.35 -1.80 -2.87 112.91 111.94 1sul h THR 59 Ca 0.00 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1sul h THR 59 Cb 0.72 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 1sul h THR 59 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1sul n GLN 60 N -3.09 2.67 -3.44 4.72 6.02 -1.26 -4.62 117.38 118.38 1sul n GLN 60 Ca 0.01 -2.58 -0.38 0.00 -0.01 0.00 0.00 57.00 54.04 1sul n GLN 60 Cb 0.33 -1.56 -0.09 0.00 1.02 0.00 0.00 30.24 29.95 1sul n GLN 60 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1sul s THR 61 N -1.10 5.22 -0.11 5.09 -1.32 -1.09 -4.63 115.64 117.70 1sul s THR 61 Ca 0.47 0.55 -0.15 0.00 -1.21 0.00 0.00 61.69 61.36 1sul s THR 61 Cb 0.25 -3.67 -0.05 0.00 -1.51 0.00 0.00 72.50 67.52 1sul s THR 61 CO 0.33 0.22 0.36 -0.76 -2.21 0.00 0.00 174.62 172.57 1sul s LEU 62 N 1.62 4.32 -0.25 9.08 1.43 -0.41 -4.42 118.68 130.06 1sul s LEU 62 Ca 0.15 0.70 -0.15 0.00 -1.03 0.00 0.00 54.13 53.81 1sul s LEU 62 Cb -0.15 -2.49 -0.04 0.00 0.03 0.00 0.00 46.19 43.54 1sul s LEU 62 CO 0.08 0.15 0.35 0.20 0.23 0.00 0.00 176.35 177.36 1sul s ASN 63 N 0.04 6.29 -0.20 2.29 0.01 -1.00 -0.96 114.94 121.41 1sul s ASN 63 Ca 0.21 0.33 -0.07 0.00 -0.71 0.00 0.00 52.86 52.62 1sul s ASN 63 Cb -0.14 -2.20 -0.03 0.00 0.41 0.00 0.00 41.25 39.28 1sul s ASN 63 CO 0.08 -0.12 0.05 -0.36 -1.51 0.00 0.00 177.10 175.23 1sul s PHE 64 N 1.73 3.15 -0.10 2.20 0.40 -0.71 -0.19 117.98 124.46 1sul s PHE 64 Ca 0.15 -0.17 0.02 0.00 -0.60 0.00 0.00 56.93 56.34 1sul s PHE 64 Cb -0.15 -2.11 -0.01 0.00 0.51 0.00 0.00 43.02 41.25 1sul s PHE 64 CO 0.09 -0.06 -0.17 0.71 0.70 0.00 0.00 175.22 176.49 1sul s TYR 65 N 0.81 2.70 -0.22 0.36 2.02 0.16 0.05 117.35 123.22 1sul s TYR 65 Ca 0.03 -0.62 -0.11 0.00 -0.37 0.00 0.00 57.07 55.99 1sul s TYR 65 Cb -0.14 -1.75 -0.05 0.00 -0.40 0.00 0.00 41.96 39.62 1sul s TYR 65 CO 0.02 -0.17 0.20 -1.50 -1.57 0.00 0.00 175.55 172.53 1sul s ILE 66 N 0.08 5.34 -0.20 2.71 2.07 -0.26 0.02 121.20 130.95 1sul s ILE 66 Ca -0.07 0.29 -0.01 0.00 -1.41 0.00 0.00 60.65 59.45 1sul s ILE 66 Cb -0.15 -3.54 0.01 0.00 0.13 0.00 0.00 42.46 38.92 1sul s ILE 66 CO 0.05 0.36 -0.13 -0.63 -1.91 0.00 0.00 174.94 172.67 1sul s ILE 67 N 0.90 2.57 -1.62 2.00 -1.09 -0.09 -2.20 121.20 121.67 1sul s ILE 67 Ca 0.10 -0.84 0.00 0.00 -2.23 0.00 0.00 60.65 57.68 1sul s ILE 67 Cb -0.13 -2.15 0.00 0.00 -1.58 0.00 0.00 42.46 38.60 1sul s ILE 67 CO 0.04 0.44 0.00 0.59 -1.23 0.00 0.00 174.94 174.78 1sul n ASN 68 N 4.67 -4.82 -3.82 3.58 3.02 -0.45 -1.71 115.26 115.74 1sul n ASN 68 Ca -0.19 0.22 -0.29 0.00 -0.03 0.00 0.00 54.58 54.29 1sul n ASN 68 Cb 0.50 -4.16 -0.03 0.00 -0.61 0.00 0.00 39.78 35.48 1sul n ASN 68 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1sul n ASP 69 N -1.51 -2.84 0.00 6.41 8.00 -1.26 -4.76 116.55 120.58 1sul n ASP 69 Ca -0.19 -0.69 0.00 0.00 0.71 0.00 0.00 54.79 54.62 1sul n ASP 69 Cb 0.62 -2.38 0.00 0.00 -0.02 0.00 0.00 41.12 39.33 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 -3.87 0.00 -3.46 -1.24 0.28 -0.69 -5.11 120.64 106.55 1sul n GLU 70 Ca 0.05 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.92 1sul n GLU 70 Cb 0.50 -0.19 -0.03 0.00 1.43 0.00 0.00 31.44 33.14 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 0.00 -0.58 -0.14 -1.84 0.05 -1.15 -4.30 118.68 110.73 1sul s LEU 71 Ca 0.00 0.20 -0.02 0.00 0.05 0.00 0.00 54.13 54.36 1sul s LEU 71 Cb 0.00 2.53 -0.02 0.00 -2.05 0.00 0.00 46.19 46.64 1sul s LEU 71 CO 0.00 -0.83 -0.07 -1.00 -0.55 0.00 0.00 176.35 173.89 1sul s HIS 72 N -2.95 2.94 -0.04 3.48 3.76 -0.56 -0.91 115.29 121.01 1sul s HIS 72 Ca -0.02 -0.38 -0.20 0.00 -0.15 0.00 0.00 55.06 54.31 1sul s HIS 72 Cb -0.01 -1.89 -0.05 0.00 1.11 0.00 0.00 32.58 31.74 1sul s HIS 72 CO -0.06 -0.05 0.59 -0.06 -0.85 0.00 0.00 174.74 174.30 1sul s PHE 73 N 0.22 3.63 -0.35 1.40 2.99 0.10 -1.43 117.98 124.53 1sul s PHE 73 Ca -0.05 1.14 -0.02 0.00 0.00 0.00 0.00 56.93 58.00 1sul s PHE 73 Cb -0.14 -2.63 0.08 0.00 0.00 0.00 0.00 43.02 40.33 1sul s PHE 73 CO 0.04 0.27 0.10 0.08 -0.00 0.00 0.00 175.22 175.70 1sul s VAL 74 N 0.16 3.07 -0.41 -0.44 1.01 0.17 -0.67 120.40 123.30 1sul s VAL 74 Ca 0.31 -1.76 -0.24 0.00 0.00 0.00 0.00 61.98 60.29 1sul s VAL 74 Cb -0.17 -2.96 0.02 0.00 0.00 0.00 0.00 36.38 33.26 1sul s VAL 74 CO 0.16 -0.41 0.83 -0.62 0.00 0.00 0.00 175.10 175.05 1sul s ASP 75 N 1.48 6.52 -0.12 3.32 2.15 0.74 -1.07 116.67 129.68 1sul s ASP 75 Ca 0.02 0.21 -0.21 0.00 0.43 0.00 0.00 52.55 53.01 1sul s ASP 75 Cb -0.21 -2.41 -0.04 0.00 -0.30 0.00 0.00 42.92 39.96 1sul s ASP 75 CO -0.03 -0.85 0.59 -0.69 -0.17 0.00 0.00 175.17 174.02 1sul s VAL 76 N 3.32 5.10 0.25 1.11 1.01 -0.39 -2.37 120.40 128.42 1sul s VAL 76 Ca 0.33 1.18 -0.30 0.00 0.00 0.00 0.00 61.98 63.18 1sul s VAL 76 Cb -0.12 -3.92 -0.14 0.00 0.00 0.00 0.00 36.38 32.19 1sul s VAL 76 CO 0.20 0.25 1.22 -2.65 0.00 0.00 0.00 175.10 174.13 1sul n PRO 77 N 4.03 1.63 -1.72 2.72 -0.02 -1.26 -4.66 135.00 135.71 1sul n PRO 77 Ca -0.04 0.58 -0.42 0.00 -2.02 0.00 0.00 63.50 61.60 1sul n PRO 77 Cb 0.51 -2.11 -0.01 0.00 -0.02 0.00 0.00 33.50 31.87 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 1.70 0.90 0.85 -1.23 0.00 -1.26 -4.81 105.19 101.34 1sul n GLY 78 Ca 0.11 0.38 0.09 0.00 0.00 0.00 0.00 46.02 46.60 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 0.98 0.51 -1.90 1.61 0.18 -0.14 -4.40 117.16 114.00 1sul n TYR 79 Ca 0.06 -0.25 -0.41 0.00 1.88 0.00 0.00 57.90 59.18 1sul n TYR 79 Cb 0.36 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.31 1sul n TYR 79 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1sul n GLY 80 N 1.27 4.78 3.75 -7.48 0.00 -0.37 -4.96 105.19 102.18 1sul n GLY 80 Ca 0.17 -1.88 -0.41 0.00 0.00 0.00 0.00 46.02 43.89 1sul n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sul s PHE 81 N 0.58 2.93 -0.17 1.61 2.99 -1.26 -4.93 117.98 119.73 1sul s PHE 81 Ca 0.53 1.01 0.01 0.00 0.00 0.00 0.00 56.93 58.48 1sul s PHE 81 Cb 0.15 -3.88 0.02 0.00 0.00 0.00 0.00 43.02 39.31 1sul s PHE 81 CO -0.06 -2.84 -0.20 0.00 -0.00 0.00 0.00 175.22 172.12 1sul s ALA 82 N -0.18 2.25 -1.55 5.36 0.00 -1.26 -4.77 121.76 121.61 1sul s ALA 82 Ca 0.59 -1.15 -0.10 0.00 0.00 0.00 0.00 51.96 51.30 1sul s ALA 82 Cb -0.43 -1.12 0.08 0.00 0.00 0.00 0.00 23.12 21.65 1sul s ALA 82 CO 0.47 -0.28 0.67 0.36 0.00 0.00 0.00 175.76 176.98 1sul n LYS 83 N 4.51 -3.65 -3.98 0.00 0.00 -1.26 -4.84 118.16 108.94 1sul n LYS 83 Ca -0.20 0.43 -0.36 0.00 -0.00 0.00 0.00 58.31 58.17 1sul n LYS 83 Cb 0.50 -4.94 -0.07 0.00 -0.00 0.00 0.00 35.03 30.52 1sul n LYS 83 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1sul s VAL 84 N -3.56 5.20 0.73 0.58 1.01 -1.26 -4.78 120.40 118.31 1sul s VAL 84 Ca 0.42 0.09 -0.15 0.00 0.00 0.00 0.00 61.98 62.35 1sul s VAL 84 Cb -0.23 -3.26 0.04 0.00 0.00 0.00 0.00 36.38 32.93 1sul s VAL 84 CO 0.89 0.59 1.17 -0.94 0.00 0.00 0.00 175.10 176.82 1sul s SER 85 N -0.82 4.35 0.17 3.32 1.04 -1.26 -4.81 113.70 115.69 1sul s SER 85 Ca 0.13 2.24 -0.21 0.00 0.48 0.00 0.00 55.95 58.59 1sul s SER 85 Cb -0.12 -2.58 0.08 0.00 0.10 0.00 0.00 66.02 63.50 1sul s SER 85 CO 0.03 -2.15 1.62 0.50 0.98 0.00 0.00 173.24 174.21 1sul h LYS 86 N -0.34 -0.19 -0.67 4.02 3.64 -1.99 -0.80 116.57 120.23 1sul h LYS 86 Ca -0.47 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.03 1sul h LYS 86 Cb 1.28 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 33.06 1sul h LYS 86 CO 0.50 -0.13 0.27 1.03 -2.27 0.00 0.00 179.45 178.86 1sul h SER 87 N -0.20 0.29 0.17 4.20 0.87 -1.99 -0.79 113.55 116.10 1sul h SER 87 Ca 0.18 0.08 -0.13 0.00 -1.23 0.00 0.00 61.79 60.69 1sul h SER 87 Cb 0.49 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 1sul h SER 87 CO -0.50 0.15 -0.49 -0.08 -0.53 0.00 0.00 176.83 175.38 1sul h GLU 88 N 0.46 0.37 -0.43 2.24 4.81 -1.74 -1.39 114.58 118.90 1sul h GLU 88 Ca 0.35 -0.21 -0.09 0.00 -0.13 0.00 0.00 59.36 59.28 1sul h GLU 88 Cb 0.44 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 1sul h GLU 88 CO -0.33 0.78 -0.08 0.00 -0.73 0.00 0.00 179.01 178.65 1sul h ARG 89 N 0.30 0.75 -0.13 1.92 3.08 -0.24 -0.45 114.38 119.61 1sul h ARG 89 Ca 0.01 -0.23 -0.15 0.00 0.07 0.00 0.00 59.98 59.68 1sul h ARG 89 Cb 0.97 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 1sul h ARG 89 CO 0.08 0.82 -0.57 0.93 -1.07 0.00 0.00 179.97 180.15 1sul h GLU 90 N 0.69 0.41 -0.48 0.04 5.08 -0.97 -2.10 114.58 117.25 1sul h GLU 90 Ca 0.12 -0.27 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 1sul h GLU 90 Cb 0.54 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1sul h GLU 90 CO 0.03 0.87 0.13 0.00 -1.00 0.00 0.00 179.01 179.04 1sul h ALA 91 N 1.07 0.63 -0.69 3.43 0.00 -0.67 -1.56 119.26 121.47 1sul h ALA 91 Ca 0.00 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 54.82 1sul h ALA 91 Cb 1.10 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.62 1sul h ALA 91 CO 0.10 0.31 0.30 2.35 0.00 0.00 0.00 179.25 182.31 1sul h TRP 92 N 0.65 0.52 -0.68 0.00 7.01 -0.96 -0.87 115.95 121.62 1sul h TRP 92 Ca 0.15 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.18 1sul h TRP 92 Cb 0.31 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 27.21 1sul h TRP 92 CO 0.02 0.14 0.41 0.78 -2.79 0.00 0.00 178.44 177.00 1sul h GLY 93 N 0.49 0.99 1.33 2.65 0.00 -0.77 0.72 103.07 108.48 1sul h GLY 93 Ca 0.36 -0.41 -0.14 0.00 0.00 0.00 0.00 47.33 47.14 1sul h GLY 93 CO -0.32 0.39 -0.36 3.21 0.00 0.00 0.00 176.54 179.47 1sul h ARG 94 N 0.93 0.74 0.03 4.80 3.08 -0.95 -0.93 114.38 122.08 1sul h ARG 94 Ca 0.24 -0.36 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 1sul h ARG 94 Cb -0.04 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1sul h ARG 94 CO -0.05 0.98 -0.01 1.98 -1.07 0.00 0.00 179.97 181.80 1sul h MET 95 N 0.62 -0.04 -0.36 0.04 4.05 -0.54 -0.48 114.93 118.22 1sul h MET 95 Ca 0.06 0.00 -0.16 0.00 -0.28 0.00 0.00 59.70 59.32 1sul h MET 95 Cb 0.89 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.69 1sul h MET 95 CO 0.08 0.04 -0.41 0.97 0.23 0.00 0.00 176.91 177.82 1sul h ILE 96 N -0.11 1.27 -0.59 1.77 6.09 -0.85 -1.05 117.51 124.05 1sul h ILE 96 Ca -0.00 -1.58 0.03 0.00 -1.37 0.00 0.00 64.86 61.93 1sul h ILE 96 Cb 0.10 1.42 -0.04 0.00 0.47 0.00 0.00 36.82 38.77 1sul h ILE 96 CO 0.01 0.53 0.35 -0.08 -3.07 0.00 0.00 178.15 175.88 1sul h GLU 97 N 0.73 0.66 -0.10 2.19 4.81 -1.10 0.00 114.58 121.78 1sul h GLU 97 Ca 0.05 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1sul h GLU 97 Cb 1.00 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.22 1sul h GLU 97 CO 0.10 0.44 0.01 1.15 -0.73 0.00 0.00 179.01 179.98 1sul h THR 98 N 0.68 1.23 0.26 0.32 2.02 -0.90 -1.58 112.91 114.93 1sul h THR 98 Ca 0.24 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.72 1sul h THR 98 Cb 0.05 1.50 -0.04 0.00 -1.74 0.00 0.00 68.15 67.93 1sul h THR 98 CO -0.12 0.20 -0.50 0.22 0.37 0.00 0.00 175.52 175.70 1sul h TYR 99 N -0.07 -1.40 -0.57 3.16 5.03 -0.96 -1.80 116.97 120.36 1sul h TYR 99 Ca 0.03 0.03 0.08 0.00 2.58 0.00 0.00 58.73 61.45 1sul h TYR 99 Cb 0.30 0.58 -0.06 0.00 1.55 0.00 0.00 36.73 39.10 1sul h TYR 99 CO 0.02 -0.61 0.23 0.82 -1.32 0.00 0.00 178.16 177.30 1sul h ILE 100 N -0.83 0.82 0.00 1.81 1.08 -0.98 -1.18 117.51 118.23 1sul h ILE 100 Ca -0.02 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.31 1sul h ILE 100 Cb 0.79 0.36 0.00 0.00 -3.07 0.00 0.00 36.82 34.90 1sul h ILE 100 CO -0.19 0.08 0.00 0.71 -0.69 0.00 0.00 178.15 178.05 1sul h THR 101 N 0.42 0.00 0.00 -0.27 1.35 -1.18 -3.37 112.91 109.86 1sul h THR 101 Ca 0.28 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 1sul h THR 101 Cb 0.31 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 1sul h THR 101 CO -0.27 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 175.35 1sul n THR 102 N -2.53 0.00 -2.44 6.82 -2.24 -0.69 -5.00 114.28 108.21 1sul n THR 102 Ca 0.05 -0.38 -0.41 0.00 -2.27 0.00 0.00 64.05 61.04 1sul n THR 102 Cb 0.44 1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 69.69 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 -0.60 3.13 0.40 -0.78 6.06 -0.47 -4.87 118.95 121.82 1sul s ARG 103 Ca 0.00 0.05 0.08 0.00 -2.50 0.00 0.00 55.73 53.35 1sul s ARG 103 Cb 0.00 -4.20 0.84 0.00 0.06 0.00 0.00 34.95 31.65 1sul s ARG 103 CO 0.00 -2.19 2.02 0.93 -2.50 0.00 0.00 175.30 173.56 1sul h GLU 104 N 11.04 0.46 0.00 5.12 3.07 -1.94 -2.54 114.58 129.79 1sul h GLU 104 Ca -0.27 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.54 1sul h GLU 104 Cb 1.08 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.89 1sul h GLU 104 CO 1.25 0.36 0.00 0.93 -1.40 0.00 0.00 179.01 180.15 1sul h GLU 105 N 0.46 0.00 -6.25 2.33 3.07 -1.89 -3.45 114.58 108.85 1sul h GLU 105 Ca 0.12 0.00 -0.56 0.00 -0.50 0.00 0.00 59.36 58.42 1sul h GLU 105 Cb 0.06 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.95 1sul h GLU 105 CO -0.02 0.00 1.08 -1.17 -1.40 0.00 0.00 179.01 177.50 1sul s LEU 106 N -5.61 4.15 -0.09 1.33 2.96 -0.96 -0.98 118.68 119.48 1sul s LEU 106 Ca 0.02 1.95 0.20 0.00 -0.22 0.00 0.00 54.13 56.08 1sul s LEU 106 Cb 0.09 -3.53 -0.30 0.00 0.50 0.00 0.00 46.19 42.95 1sul s LEU 106 CO 0.50 -1.02 0.33 0.29 -1.32 0.00 0.00 176.35 175.13 1sul n LYS 107 N 7.24 0.69 -3.62 1.98 4.76 0.20 -4.91 118.16 124.51 1sul n LYS 107 Ca 0.17 -0.13 -0.03 0.00 -2.87 0.00 0.00 58.31 55.45 1sul n LYS 107 Cb 0.44 -1.51 -0.02 0.00 -1.84 0.00 0.00 35.03 32.10 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 -3.14 -2.16 -0.09 7.82 0.00 -1.25 -4.48 121.76 118.46 1sul s ALA 108 Ca -0.08 1.65 0.03 0.00 0.00 0.00 0.00 51.96 53.56 1sul s ALA 108 Cb 0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 1sul s ALA 108 CO 0.86 -0.62 -0.20 0.08 0.00 0.00 0.00 175.76 175.88 1sul s VAL 109 N -2.24 2.47 -0.33 0.00 1.01 -0.68 -2.09 120.40 118.53 1sul s VAL 109 Ca 0.11 -0.89 -0.18 0.00 0.00 0.00 0.00 61.98 61.01 1sul s VAL 109 Cb -0.00 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 1sul s VAL 109 CO -0.04 0.56 0.53 -0.69 0.00 0.00 0.00 175.10 175.46 1sul s VAL 110 N 0.09 5.00 -0.24 2.92 1.01 0.22 -1.53 120.40 127.87 1sul s VAL 110 Ca -0.09 0.50 -0.10 0.00 0.00 0.00 0.00 61.98 62.28 1sul s VAL 110 Cb -0.15 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 1sul s VAL 110 CO 0.06 -0.17 0.15 -1.58 0.00 0.00 0.00 175.10 173.56 1sul s GLN 111 N 2.43 4.00 -0.20 2.72 0.74 -0.44 -1.54 119.66 127.37 1sul s GLN 111 Ca 0.20 -0.30 -0.10 0.00 0.05 0.00 0.00 55.36 55.20 1sul s GLN 111 Cb -0.15 -3.52 -0.05 0.00 1.10 0.00 0.00 33.01 30.39 1sul s GLN 111 CO 0.13 0.01 0.15 0.42 -0.55 0.00 0.00 175.29 175.45 1sul s ILE 112 N 1.19 5.39 0.08 -2.34 -1.09 -0.34 -0.47 121.20 123.62 1sul s ILE 112 Ca 0.07 0.22 0.02 0.00 -2.23 0.00 0.00 60.65 58.73 1sul s ILE 112 Cb -0.14 -3.49 -0.03 0.00 -1.58 0.00 0.00 42.46 37.22 1sul s ILE 112 CO 0.05 0.42 -0.08 0.68 -1.23 0.00 0.00 174.94 174.79 1sul s VAL 113 N 0.47 0.70 -0.13 2.92 -7.23 0.25 -4.30 120.40 113.07 1sul s VAL 113 Ca 0.09 -1.52 -0.26 0.00 -1.81 0.00 0.00 61.98 58.48 1sul s VAL 113 Cb -0.12 -1.18 -0.02 0.00 0.56 0.00 0.00 36.38 35.63 1sul s VAL 113 CO -0.01 -0.60 0.85 -0.62 -0.31 0.00 0.00 175.10 174.41 1sul s ASP 114 N -2.31 7.03 0.57 4.85 -1.08 -1.26 0.24 116.67 124.72 1sul s ASP 114 Ca 0.02 1.27 0.35 0.00 -0.52 0.00 0.00 52.55 53.66 1sul s ASP 114 Cb -0.03 -2.47 1.71 0.00 -1.46 0.00 0.00 42.92 40.67 1sul s ASP 114 CO -0.02 -0.35 2.13 0.25 0.52 0.00 0.00 175.17 177.70 1sul h LEU 115 N 7.91 0.00 -1.40 -1.34 5.85 -1.32 -3.07 115.31 121.94 1sul h LEU 115 Ca -0.32 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.37 1sul h LEU 115 Cb 1.15 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 1sul h LEU 115 CO 0.82 0.05 -0.13 0.03 -0.34 0.00 0.00 178.44 178.87 1sul h ARG 116 N 0.00 0.00 -4.74 1.25 3.08 -1.87 -3.45 114.38 108.64 1sul h ARG 116 Ca -0.00 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.77 1sul h ARG 116 Cb 0.30 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.21 1sul h ARG 116 CO 0.01 0.13 -0.64 -3.38 -1.07 0.00 0.00 179.97 175.01 1sul s HIS 117 N -3.75 1.23 0.23 3.04 -3.43 -1.16 -5.11 115.29 106.34 1sul s HIS 117 Ca 0.00 -1.12 -0.30 0.00 -0.80 0.00 0.00 55.06 52.83 1sul s HIS 117 Cb 0.10 -0.70 -0.10 0.00 -1.43 0.00 0.00 32.58 30.45 1sul s HIS 117 CO 0.59 -0.33 1.47 0.00 -2.00 0.00 0.00 174.74 174.47 1sul s ALA 118 N -3.78 3.66 0.61 -1.38 0.00 -1.26 -4.81 121.76 114.79 1sul s ALA 118 Ca 0.29 1.34 -0.18 0.00 0.00 0.00 0.00 51.96 53.41 1sul s ALA 118 Cb 0.07 -3.57 -0.07 0.00 0.00 0.00 0.00 23.12 19.55 1sul s ALA 118 CO 0.07 -0.76 0.61 -2.30 0.00 0.00 0.00 175.76 173.38 1sul n PRO 119 N 2.72 0.54 -2.09 0.00 -0.02 -1.26 -4.96 135.00 129.92 1sul n PRO 119 Ca 0.08 0.22 -0.27 0.00 -2.02 0.00 0.00 63.50 61.51 1sul n PRO 119 Cb 0.40 -1.82 0.11 0.00 -0.02 0.00 0.00 33.50 32.17 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 -1.25 4.29 0.31 2.55 1.04 -1.26 -4.85 113.70 114.53 1sul s SER 120 Ca 0.70 0.42 -0.00 0.00 0.48 0.00 0.00 55.95 57.55 1sul s SER 120 Cb -0.42 -0.86 0.52 0.00 0.10 0.00 0.00 66.02 65.36 1sul s SER 120 CO 0.53 -1.97 1.96 -1.13 0.98 0.00 0.00 173.24 173.61 1sul h ASN 121 N -0.96 0.88 -0.57 7.02 -1.24 -1.99 -0.70 115.58 118.01 1sul h ASN 121 Ca -0.44 -0.01 0.01 0.00 0.71 0.00 0.00 56.30 56.56 1sul h ASN 121 Cb 1.30 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 40.11 1sul h ASN 121 CO 0.55 0.62 0.38 0.44 -1.29 0.00 0.00 177.43 178.12 1sul h ASP 122 N 1.03 0.65 -0.55 1.15 3.32 -1.99 0.14 116.42 120.17 1sul h ASP 122 Ca 0.32 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.40 1sul h ASP 122 Cb -0.01 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.33 1sul h ASP 122 CO -0.09 0.47 0.28 0.44 -1.72 0.00 0.00 179.24 178.62 1sul h ASP 123 N 0.76 0.39 -0.22 6.45 3.45 -1.53 -0.59 116.42 125.13 1sul h ASP 123 Ca 0.21 0.03 -0.03 0.00 0.43 0.00 0.00 57.03 57.68 1sul h ASP 123 Cb -0.08 -0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 38.65 1sul h ASP 123 CO -0.05 0.26 0.04 0.58 -1.57 0.00 0.00 179.24 178.50 1sul h VAL 124 N 0.53 1.22 -0.49 -1.35 2.07 -0.76 -0.50 116.25 116.98 1sul h VAL 124 Ca 0.25 -0.74 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 1sul h VAL 124 Cb 0.17 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1sul h VAL 124 CO -0.18 0.23 0.15 1.56 0.02 0.00 0.00 177.57 179.35 1sul h GLN 125 N 0.17 0.72 -0.24 1.57 4.20 -0.49 0.10 115.11 121.15 1sul h GLN 125 Ca 0.07 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 1sul h GLN 125 Cb 0.31 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1sul h GLN 125 CO 0.00 0.64 0.02 1.98 -0.67 0.00 0.00 178.83 180.80 1sul h MET 126 N 0.71 0.42 -0.49 1.46 4.05 -0.83 -0.83 114.93 119.41 1sul h MET 126 Ca 0.16 -0.12 -0.00 0.00 -0.28 0.00 0.00 59.70 59.46 1sul h MET 126 Cb 0.22 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 30.95 1sul h MET 126 CO -0.01 0.57 0.30 -0.92 0.23 0.00 0.00 176.91 177.07 1sul h TYR 127 N 0.21 0.64 -0.83 1.39 3.20 -0.49 -0.91 116.97 120.18 1sul h TYR 127 Ca 0.07 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 1sul h TYR 127 Cb 0.36 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.38 1sul h TYR 127 CO 0.03 0.44 0.40 0.93 -1.64 0.00 0.00 178.16 178.33 1sul h GLU 128 N 0.65 1.19 -0.14 1.82 5.08 -0.71 -1.29 114.58 121.19 1sul h GLU 128 Ca 0.18 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1sul h GLU 128 Cb -0.01 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 1sul h GLU 128 CO -0.03 0.91 0.06 0.35 -1.00 0.00 0.00 179.01 179.30 1sul h PHE 129 N 1.18 0.20 -0.56 4.33 3.57 -0.89 -1.83 116.94 122.94 1sul h PHE 129 Ca 0.29 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.79 1sul h PHE 129 Cb 0.11 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 1sul h PHE 129 CO 0.01 0.25 0.36 -0.07 -2.23 0.00 0.00 178.31 176.64 1sul h LEU 130 N 0.08 0.62 -1.26 0.59 3.38 -0.73 -2.93 115.31 115.06 1sul h LEU 130 Ca 0.05 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1sul h LEU 130 Cb 0.13 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1sul h LEU 130 CO -0.01 0.44 -0.21 0.11 0.09 0.00 0.00 178.44 178.86 1sul h LYS 131 N 0.73 0.24 -0.83 1.13 1.79 -1.13 -1.98 116.57 116.52 1sul h LYS 131 Ca 0.21 -0.07 -0.03 0.00 -2.18 0.00 0.00 60.65 58.58 1sul h LYS 131 Cb -0.06 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.53 1sul h LYS 131 CO -0.06 0.45 0.41 -0.92 -1.08 0.00 0.00 179.45 178.25 1sul h TYR 132 N 0.22 1.18 -0.17 -1.35 3.20 -1.15 -1.86 116.97 117.03 1sul h TYR 132 Ca 0.04 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1sul h TYR 132 Cb 0.51 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.41 1sul h TYR 132 CO 0.01 0.85 0.00 0.66 -1.64 0.00 0.00 178.16 178.03 1sul n TYR 133 N -4.31 0.22 -1.16 -3.82 4.02 -0.94 -4.92 117.16 106.26 1sul n TYR 133 Ca 0.08 -0.11 -0.06 0.00 -0.01 0.00 0.00 57.90 57.81 1sul n TYR 133 Cb 0.13 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.43 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 1.04 0.79 3.68 2.72 0.00 -0.70 -5.00 105.19 107.72 1sul n GLY 134 Ca 0.14 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.13 4.20 0.37 -0.61 -1.09 -0.79 -5.00 121.20 116.15 1sul s ILE 135 Ca 0.00 1.52 -0.28 0.00 -2.23 0.00 0.00 60.65 59.66 1sul s ILE 135 Cb 0.00 -3.98 -0.11 0.00 -1.58 0.00 0.00 42.46 36.79 1sul s ILE 135 CO 0.00 -0.03 1.50 -2.84 -1.23 0.00 0.00 174.94 172.34 1sul s PRO 136 N 2.46 4.11 -0.04 2.79 0.02 -1.26 -4.55 135.00 138.54 1sul s PRO 136 Ca 0.56 2.57 0.04 0.00 0.02 0.00 0.00 61.00 64.19 1sul s PRO 136 Cb -0.25 -2.98 -0.00 0.00 0.02 0.00 0.00 34.50 31.30 1sul s PRO 136 CO 0.21 -0.54 -0.15 0.08 -0.33 0.00 0.00 177.00 176.27 1sul s VAL 137 N -0.98 1.25 -0.34 3.83 1.01 -1.26 -1.69 120.40 122.22 1sul s VAL 137 Ca 0.54 -0.62 -0.08 0.00 0.00 0.00 0.00 61.98 61.83 1sul s VAL 137 Cb -0.47 -1.09 0.03 0.00 0.00 0.00 0.00 36.38 34.85 1sul s VAL 137 CO 0.61 0.37 0.13 -0.63 0.00 0.00 0.00 175.10 175.58 1sul s ILE 138 N 0.11 4.06 -0.24 2.22 1.01 -0.58 -2.96 121.20 124.82 1sul s ILE 138 Ca -0.04 -0.94 -0.22 0.00 0.00 0.00 0.00 60.65 59.45 1sul s ILE 138 Cb -0.11 -3.24 -0.01 0.00 0.01 0.00 0.00 42.46 39.11 1sul s ILE 138 CO 0.02 -0.13 0.71 -0.69 0.00 0.00 0.00 174.94 174.85 1sul s VAL 139 N 1.47 4.93 -0.23 2.92 1.01 0.43 -1.33 120.40 129.60 1sul s VAL 139 Ca 0.00 1.32 -0.08 0.00 0.00 0.00 0.00 61.98 63.23 1sul s VAL 139 Cb -0.19 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 1sul s VAL 139 CO 0.04 -0.01 0.09 -0.63 0.00 0.00 0.00 175.10 174.60 1sul s ILE 140 N 2.58 4.70 -0.39 2.22 -1.09 0.38 -0.97 121.20 128.64 1sul s ILE 140 Ca 0.30 -0.05 -0.08 0.00 -2.23 0.00 0.00 60.65 58.59 1sul s ILE 140 Cb -0.15 -3.18 0.06 0.00 -1.58 0.00 0.00 42.46 37.61 1sul s ILE 140 CO 0.08 0.37 0.20 0.00 -1.23 0.00 0.00 174.94 174.36 1sul s ALA 141 N 1.16 3.20 0.88 9.38 0.00 -0.47 -0.59 121.76 135.32 1sul s ALA 141 Ca 0.05 -1.98 -0.10 0.00 0.00 0.00 0.00 51.96 49.93 1sul s ALA 141 Cb -0.14 -2.50 0.18 0.00 0.00 0.00 0.00 23.12 20.66 1sul s ALA 141 CO 0.04 -1.52 1.20 0.95 0.00 0.00 0.00 175.76 176.43 1sul s THR 142 N 1.42 2.03 -1.54 0.00 -4.23 0.14 -0.96 115.64 112.50 1sul s THR 142 Ca 0.02 -0.25 0.00 0.00 -1.18 0.00 0.00 61.69 60.27 1sul s THR 142 Cb -0.21 -2.78 0.00 0.00 1.34 0.00 0.00 72.50 70.85 1sul s THR 142 CO 0.03 0.00 0.00 0.29 -0.54 0.00 0.00 174.62 174.40 1sul n LYS 143 N -3.42 -1.34 0.17 3.99 4.76 -1.03 -1.02 118.16 120.26 1sul n LYS 143 Ca 0.16 0.88 0.06 0.00 -2.87 0.00 0.00 58.31 56.54 1sul n LYS 143 Cb 0.60 -5.30 0.54 0.00 -1.84 0.00 0.00 35.03 29.03 1sul n LYS 143 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1sul h ALA 144 N 0.67 1.85 0.00 7.82 0.00 -1.60 0.09 119.26 128.09 1sul h ALA 144 Ca -0.40 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1sul h ALA 144 Cb 1.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1sul h ALA 144 CO 0.49 0.13 0.00 -0.40 0.00 0.00 0.00 179.25 179.47 1sul n ASP 145 N -4.48 0.00 -0.50 0.00 5.75 -1.26 -2.06 116.55 113.99 1sul n ASP 145 Ca -0.01 0.32 0.13 0.00 -0.01 0.00 0.00 54.79 55.22 1sul n ASP 145 Cb 0.11 -0.40 0.37 0.00 -1.03 0.00 0.00 41.12 40.17 1sul n ASP 145 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1sul n LYS 146 N -1.40 1.53 -4.80 0.11 4.01 0.02 -4.81 118.16 112.82 1sul n LYS 146 Ca 0.04 -1.01 -0.26 0.00 -0.51 0.00 0.00 58.31 56.57 1sul n LYS 146 Cb 0.12 -1.48 -0.16 0.00 -0.51 0.00 0.00 35.03 33.00 1sul n LYS 146 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1sul s ILE 147 N -2.16 1.39 0.33 -0.18 1.01 -0.88 -5.09 121.20 115.62 1sul s ILE 147 Ca 0.31 -0.68 -0.29 0.00 0.00 0.00 0.00 60.65 59.99 1sul s ILE 147 Cb 0.20 -1.21 -0.11 0.00 0.01 0.00 0.00 42.46 41.35 1sul s ILE 147 CO 0.39 0.40 1.55 -2.16 0.00 0.00 0.00 174.94 175.13 1sul s PRO 148 N 0.14 4.11 0.52 2.79 0.04 -1.26 -4.85 135.00 136.49 1sul s PRO 148 Ca -0.06 2.59 0.21 0.00 0.04 0.00 0.00 61.00 63.78 1sul s PRO 148 Cb -0.12 -2.99 1.32 0.00 0.04 0.00 0.00 34.50 32.75 1sul s PRO 148 CO 0.03 -0.60 2.06 0.87 0.04 0.00 0.00 177.00 179.39 1sul h LYS 149 N 4.01 0.02 0.00 4.56 6.56 -1.97 0.15 116.57 129.91 1sul h LYS 149 Ca -0.49 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.10 1sul h LYS 149 Cb 1.23 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.88 1sul h LYS 149 CO 0.73 0.02 0.00 0.41 -2.06 0.00 0.00 179.45 178.54 1sul n GLY 150 N -1.59 -0.81 0.48 3.86 0.00 -1.26 -1.70 105.19 104.16 1sul n GLY 150 Ca 0.04 0.02 0.04 0.00 0.00 0.00 0.00 46.02 46.13 1sul n GLY 150 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sul n LYS 151 N -1.69 2.90 -0.16 1.61 4.01 0.53 -4.71 118.16 120.64 1sul n LYS 151 Ca 0.01 -1.93 -0.07 0.00 -0.51 0.00 0.00 58.31 55.81 1sul n LYS 151 Cb 0.09 -1.21 0.01 0.00 -0.51 0.00 0.00 35.03 33.41 1sul n LYS 151 CO 0.00 0.00 0.00 -1.49 -1.11 0.00 0.00 177.40 174.80 1sul h TRP 152 N 1.49 0.61 -0.62 2.13 6.55 -1.36 -2.89 115.95 121.87 1sul h TRP 152 Ca 0.00 0.01 0.07 0.00 0.95 0.00 0.00 58.89 59.92 1sul h TRP 152 Cb 0.69 -0.21 -0.06 0.00 -0.86 0.00 0.00 29.16 28.73 1sul h TRP 152 CO 0.18 0.40 0.31 -0.44 -1.05 0.00 0.00 178.44 177.84 1sul h ASP 153 N 0.65 0.43 -0.14 -3.49 3.45 -1.84 0.11 116.42 115.58 1sul h ASP 153 Ca 0.17 0.04 0.03 0.00 0.43 0.00 0.00 57.03 57.71 1sul h ASP 153 Cb -0.06 -0.03 -0.03 0.00 -0.56 0.00 0.00 39.33 38.65 1sul h ASP 153 CO -0.04 0.27 -0.06 0.50 -1.57 0.00 0.00 179.24 178.35 1sul h LYS 154 N 0.57 -0.04 -0.30 3.56 3.64 -1.87 -0.70 116.57 121.43 1sul h LYS 154 Ca 0.29 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.54 1sul h LYS 154 Cb 0.24 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1sul h LYS 154 CO -0.21 -0.03 -0.35 0.45 -2.27 0.00 0.00 179.45 177.04 1sul h HIS 155 N -0.04 0.81 -0.47 1.91 3.86 -1.27 -2.94 115.15 117.00 1sul h HIS 155 Ca 0.08 -0.22 -0.10 0.00 -1.16 0.00 0.00 60.37 58.97 1sul h HIS 155 Cb 0.15 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 1sul h HIS 155 CO -0.20 0.94 -0.09 0.00 0.86 0.00 0.00 177.93 179.44 1sul h ALA 156 N 1.03 0.95 -0.56 2.45 0.00 -0.42 -2.58 119.26 120.13 1sul h ALA 156 Ca 0.06 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1sul h ALA 156 Cb 0.87 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1sul h ALA 156 CO 0.08 0.62 0.32 -0.22 0.00 0.00 0.00 179.25 180.05 1sul h LYS 157 N 0.76 0.77 -0.56 0.00 3.64 -1.08 -0.34 116.57 119.77 1sul h LYS 157 Ca 0.13 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1sul h LYS 157 Cb 0.59 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.22 1sul h LYS 157 CO 0.04 0.58 0.34 0.28 -2.27 0.00 0.00 179.45 178.42 1sul h VAL 158 N 0.76 1.08 -0.10 2.00 2.07 -1.32 0.13 116.25 120.86 1sul h VAL 158 Ca 0.20 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 1sul h VAL 158 Cb 0.02 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1sul h VAL 158 CO -0.03 0.13 0.05 0.58 0.02 0.00 0.00 177.57 178.31 1sul h VAL 159 N 0.69 1.11 -0.58 2.57 2.07 -1.07 0.32 116.25 121.36 1sul h VAL 159 Ca 0.22 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.45 1sul h VAL 159 Cb 0.00 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1sul h VAL 159 CO -0.09 0.09 0.38 -0.09 0.02 0.00 0.00 177.57 177.88 1sul h ARG 160 N 0.05 0.75 0.00 1.57 2.43 -0.76 -1.46 114.38 116.95 1sul h ARG 160 Ca 0.03 -0.04 -0.18 0.00 -0.81 0.00 0.00 59.98 58.98 1sul h ARG 160 Cb 0.10 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 1sul h ARG 160 CO -0.00 0.49 -0.86 1.96 -1.51 0.00 0.00 179.97 180.05 1sul h GLN 161 N 0.77 0.00 -0.13 0.20 4.20 -0.64 0.28 115.11 119.79 1sul h GLN 161 Ca 0.21 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.83 1sul h GLN 161 Cb -0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1sul h GLN 161 CO -0.05 0.84 -0.28 1.15 -0.67 0.00 0.00 178.83 179.82 1sul h THR 162 N 0.00 1.37 0.00 -0.54 2.02 -0.80 -3.12 112.91 111.84 1sul h THR 162 Ca -0.01 -1.55 -0.06 0.00 0.77 0.00 0.00 66.41 65.55 1sul h THR 162 Cb 1.66 2.04 -0.01 0.00 -1.74 0.00 0.00 68.15 70.10 1sul h THR 162 CO 0.11 0.46 -0.30 -0.07 0.37 0.00 0.00 175.52 176.09 1sul h LEU 163 N 0.02 0.00 -2.28 2.58 3.38 -1.32 -3.48 115.31 114.21 1sul h LEU 163 Ca 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 1sul h LEU 163 Cb 0.87 0.00 0.15 0.00 0.09 0.00 0.00 40.66 41.77 1sul h LEU 163 CO 0.06 0.30 -0.85 -3.20 0.09 0.00 0.00 178.44 174.84 1sul n ASN 164 N -3.19 -4.38 -4.69 -0.43 5.15 0.93 -4.86 115.26 103.79 1sul n ASN 164 Ca 0.03 -0.76 -0.45 0.00 -0.60 0.00 0.00 54.58 52.80 1sul n ASN 164 Cb 0.64 -4.68 -0.04 0.00 -0.53 0.00 0.00 39.78 35.17 1sul n ASN 164 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1sul n ILE 165 N -3.78 0.14 -1.70 -1.44 5.41 -0.78 -4.90 119.36 112.30 1sul n ILE 165 Ca -0.17 -0.02 -0.44 0.00 1.00 0.00 0.00 62.75 63.12 1sul n ILE 165 Cb 0.64 -1.79 -0.03 0.00 -0.71 0.00 0.00 39.64 37.75 1sul n ILE 165 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1sul n ASP 166 N 4.33 3.31 0.11 4.38 2.03 -1.26 -4.86 116.55 124.59 1sul n ASP 166 Ca 0.18 1.13 0.19 0.00 0.52 0.00 0.00 54.79 56.81 1sul n ASP 166 Cb 0.32 -1.50 0.76 0.00 -0.72 0.00 0.00 41.12 39.98 1sul n ASP 166 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1sul h PRO 167 N 4.93 0.00 0.00 -0.67 0.13 -2.03 0.12 132.00 134.49 1sul h PRO 167 Ca -0.45 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.65 1sul h PRO 167 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1sul h PRO 167 CO 0.81 0.00 -0.12 0.93 -0.23 0.00 0.00 178.00 179.39 1sul h GLU 168 N 0.00 0.00 -7.37 0.86 5.08 -1.99 -3.45 114.58 107.71 1sul h GLU 168 Ca 0.17 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 58.07 1sul h GLU 168 Cb 0.88 0.00 0.11 0.00 0.50 0.00 0.00 28.75 30.24 1sul h GLU 168 CO -0.00 0.12 0.23 -0.51 -1.00 0.00 0.00 179.01 177.84 1sul s ASP 169 N -6.00 4.02 0.06 1.42 1.01 0.43 -4.95 116.67 112.66 1sul s ASP 169 Ca 0.02 -0.03 0.09 0.00 0.71 0.00 0.00 52.55 53.33 1sul s ASP 169 Cb 0.09 -0.28 -0.03 0.00 1.01 0.00 0.00 42.92 43.71 1sul s ASP 169 CO 0.61 -2.10 -0.24 -1.61 0.21 0.00 0.00 175.17 172.03 1sul s GLU 170 N -5.40 1.56 -0.20 8.23 2.02 -1.15 -4.92 118.70 118.84 1sul s GLU 170 Ca 0.68 -1.10 -0.00 0.00 0.02 0.00 0.00 54.97 54.57 1sul s GLU 170 Cb -0.06 -1.77 0.02 0.00 0.10 0.00 0.00 34.13 32.42 1sul s GLU 170 CO 0.47 0.45 -0.15 -1.17 0.02 0.00 0.00 175.26 174.88 1sul s LEU 171 N -1.39 2.47 -0.12 1.80 2.96 -1.26 -0.43 118.68 122.72 1sul s LEU 171 Ca 0.10 -0.66 0.02 0.00 -0.22 0.00 0.00 54.13 53.37 1sul s LEU 171 Cb -0.10 -1.56 0.01 0.00 0.50 0.00 0.00 46.19 45.05 1sul s LEU 171 CO 0.03 -0.03 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.23 1sul s ILE 172 N 1.32 1.68 0.12 6.68 1.01 -0.14 -5.00 121.20 126.88 1sul s ILE 172 Ca 0.04 -0.75 -0.30 0.00 0.00 0.00 0.00 60.65 59.64 1sul s ILE 172 Cb -0.14 -1.52 -0.06 0.00 0.01 0.00 0.00 42.46 40.75 1sul s ILE 172 CO -0.10 0.48 0.97 -0.76 0.00 0.00 0.00 174.94 175.53 1sul s LEU 173 N 0.97 4.51 0.02 2.97 1.43 -1.26 -1.37 118.68 125.95 1sul s LEU 173 Ca -0.06 1.82 0.00 0.00 -1.03 0.00 0.00 54.13 54.86 1sul s LEU 173 Cb -0.15 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.46 1sul s LEU 173 CO -0.02 -0.06 -0.04 0.12 0.23 0.00 0.00 176.35 176.57 1sul s PHE 174 N -0.07 0.34 -0.11 0.29 5.36 -0.13 -3.84 117.98 119.82 1sul s PHE 174 Ca 0.47 -0.51 -0.04 0.00 -0.96 0.00 0.00 56.93 55.90 1sul s PHE 174 Cb -0.24 -0.23 0.06 0.00 -0.34 0.00 0.00 43.02 42.27 1sul s PHE 174 CO 0.30 -0.16 0.18 0.45 -1.46 0.00 0.00 175.22 174.53 1sul s SER 175 N -1.43 0.90 0.50 6.13 0.15 -0.61 -1.87 113.70 117.47 1sul s SER 175 Ca -0.14 0.22 0.33 0.00 0.70 0.00 0.00 55.95 57.06 1sul s SER 175 Cb -0.10 0.30 1.48 0.00 -1.71 0.00 0.00 66.02 66.00 1sul s SER 175 CO -0.01 -0.26 1.98 0.77 1.20 0.00 0.00 173.24 176.92 1sul h SER 176 N 8.35 0.00 0.05 5.45 4.64 -1.93 0.60 113.55 130.72 1sul h SER 176 Ca -0.14 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.11 1sul h SER 176 Cb 1.12 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.22 1sul h SER 176 CO 0.17 0.00 -0.32 -0.08 -0.87 0.00 0.00 176.83 175.73 1sul h GLU 177 N 0.00 0.14 0.00 4.77 4.81 -1.97 -3.36 114.58 118.97 1sul h GLU 177 Ca 0.00 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1sul h GLU 177 Cb 0.36 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1sul h GLU 177 CO 0.00 1.06 -0.81 1.15 -0.73 0.00 0.00 179.01 179.68 1sul h THR 178 N -0.68 0.00 0.00 0.32 2.02 -1.97 -3.48 112.91 109.13 1sul h THR 178 Ca -0.05 -0.90 0.00 0.00 0.77 0.00 0.00 66.41 66.23 1sul h THR 178 Cb 1.21 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 69.10 1sul h THR 178 CO 0.06 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.24 1sul n LYS 179 N -2.62 -0.06 -1.63 6.66 4.76 0.21 -4.98 118.16 120.50 1sul n LYS 179 Ca 0.01 0.02 -0.54 0.00 -2.87 0.00 0.00 58.31 54.93 1sul n LYS 179 Cb 0.53 -3.19 -0.06 0.00 -1.84 0.00 0.00 35.03 30.46 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 -1.97 1.18 -0.01 1.97 3.00 -1.20 -1.27 118.16 119.86 1sul n LYS 180 Ca 0.00 0.43 0.00 0.00 -0.00 0.00 0.00 58.31 58.74 1sul n LYS 180 Cb 0.02 -2.09 0.00 0.00 0.00 0.00 0.00 35.03 32.96 1sul n LYS 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1sul n GLY 181 N 3.07 2.18 0.07 3.14 0.00 -1.25 -1.58 105.19 110.82 1sul n GLY 181 Ca 0.21 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 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 2.55 -0.07 -0.60 1.61 3.64 -1.50 0.48 116.57 122.68 1sul h LYS 182 Ca 0.00 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 1sul h LYS 182 Cb 0.00 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 1sul h LYS 182 CO 0.00 0.11 0.11 -0.44 -2.27 0.00 0.00 179.45 176.96 1sul h ASP 183 N -0.25 0.91 -0.55 4.20 3.45 -1.92 -2.20 116.42 120.07 1sul h ASP 183 Ca -0.01 -0.20 -0.02 0.00 0.43 0.00 0.00 57.03 57.23 1sul h ASP 183 Cb 0.22 -0.24 -0.03 0.00 -0.56 0.00 0.00 39.33 38.72 1sul h ASP 183 CO 0.01 0.91 0.26 -0.08 -1.57 0.00 0.00 179.24 178.77 1sul h GLU 184 N 0.91 0.80 -0.39 3.56 4.81 -1.92 -0.95 114.58 121.40 1sul h GLU 184 Ca 0.19 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1sul h GLU 184 Cb 0.38 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1sul h GLU 184 CO 0.01 0.66 0.24 0.00 -0.73 0.00 0.00 179.01 179.19 1sul h ALA 185 N 1.10 0.50 -0.89 2.92 0.00 -0.55 -0.34 119.26 121.99 1sul h ALA 185 Ca 0.19 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1sul h ALA 185 Cb 0.13 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 1sul h ALA 185 CO -0.02 -0.09 0.58 -1.49 0.00 0.00 0.00 179.25 178.23 1sul h TRP 186 N 0.48 1.07 -0.31 0.00 -0.00 -1.15 0.40 115.95 116.43 1sul h TRP 186 Ca 0.15 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 59.07 1sul h TRP 186 Cb -0.01 -0.36 -0.02 0.00 -0.00 0.00 0.00 29.16 28.78 1sul h TRP 186 CO -0.07 0.61 0.20 0.78 -0.00 0.00 0.00 178.44 179.97 1sul h GLY 187 N 1.10 0.44 1.16 1.49 0.00 -0.05 -0.01 103.07 107.21 1sul h GLY 187 Ca 0.36 -0.17 -0.06 0.00 0.00 0.00 0.00 47.33 47.45 1sul h GLY 187 CO -0.11 0.17 0.17 0.00 0.00 0.00 0.00 176.54 176.77 1sul h ALA 188 N 1.11 1.05 -0.53 3.60 0.00 -0.46 -1.82 119.26 122.20 1sul h ALA 188 Ca 0.11 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1sul h ALA 188 Cb -0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1sul h ALA 188 CO -0.02 0.63 0.20 0.82 0.00 0.00 0.00 179.25 180.87 1sul h ILE 189 N 1.00 1.22 -0.78 0.00 2.04 -0.59 -1.26 117.51 119.13 1sul h ILE 189 Ca 0.21 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 1sul h ILE 189 Cb 0.34 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 1sul h ILE 189 CO -0.00 0.27 0.43 0.11 0.00 0.00 0.00 178.15 178.96 1sul h LYS 190 N 0.72 1.09 -0.41 2.37 1.57 -0.75 -1.35 116.57 119.81 1sul h LYS 190 Ca 0.17 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1sul h LYS 190 Cb 0.23 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1sul h LYS 190 CO -0.01 0.80 0.12 0.87 -0.57 0.00 0.00 179.45 180.66 1sul h LYS 191 N 1.08 0.64 -0.83 3.15 1.57 -0.98 -2.62 116.57 118.57 1sul h LYS 191 Ca 0.28 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1sul h LYS 191 Cb 0.03 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.21 1sul h LYS 191 CO -0.04 0.64 0.41 0.52 -0.57 0.00 0.00 179.45 180.41 1sul h MET 192 N 0.52 1.18 -0.38 3.15 2.86 -0.87 -2.82 114.93 118.58 1sul h MET 192 Ca 0.13 -0.16 -0.15 0.00 -2.06 0.00 0.00 59.70 57.45 1sul h MET 192 Cb 0.27 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1sul h MET 192 CO -0.00 0.90 -0.37 0.82 1.06 0.00 0.00 176.91 179.32 1sul h ILE 193 N 1.18 1.27 -0.20 -1.22 2.04 -1.13 -3.12 117.51 116.33 1sul h ILE 193 Ca 0.29 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.61 1sul h ILE 193 Cb 0.10 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1sul h ILE 193 CO -0.04 0.51 0.00 0.59 0.00 0.00 0.00 178.15 179.22 1sul n ASN 194 N -4.06 1.45 0.00 1.72 3.02 -1.00 -5.07 115.26 111.32 1sul n ASN 194 Ca -0.02 -2.07 0.01 0.00 -0.03 0.00 0.00 54.58 52.47 1sul n ASN 194 Cb 0.53 -0.25 0.05 0.00 -0.61 0.00 0.00 39.78 39.50 1sul n ASN 194 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18