#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1shq n GLU 2 N 0.00 2.36 -1.36 3.44 1.02 -1.26 -4.68 120.64 120.16 1shq n GLU 2 Ca 0.00 -1.86 -0.05 0.00 -0.02 0.00 0.00 57.16 55.23 1shq n GLU 2 Cb 0.00 -2.76 0.02 0.00 -0.02 0.00 0.00 31.44 28.68 1shq n GLU 2 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1shq n ASP 3 N 5.18 0.45 0.01 1.62 5.68 -1.26 -4.85 116.55 123.38 1shq n ASP 3 Ca 0.53 -1.33 -0.11 0.00 -0.50 0.00 0.00 54.79 53.38 1shq n ASP 3 Cb 0.26 -0.11 -0.05 0.00 -1.14 0.00 0.00 41.12 40.07 1shq n ASP 3 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 1shq h LYS 4 N 0.00 0.04 -0.85 0.11 3.64 -2.00 -1.38 116.57 116.13 1shq h LYS 4 Ca -0.07 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1shq h LYS 4 Cb 0.29 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.06 1shq h LYS 4 CO 0.09 0.02 0.52 0.00 -2.27 0.00 0.00 179.45 177.82 1shq h ALA 5 N 1.06 1.33 -0.29 5.00 0.00 -1.95 -1.56 119.26 122.85 1shq h ALA 5 Ca 0.04 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1shq h ALA 5 Cb 0.03 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 1shq h ALA 5 CO -0.05 0.59 0.02 -0.92 0.00 0.00 0.00 179.25 178.88 1shq h TYR 6 N 1.16 0.02 -0.01 0.00 5.03 -1.55 -1.57 116.97 120.06 1shq h TYR 6 Ca 0.31 0.02 -0.16 0.00 2.58 0.00 0.00 58.73 61.48 1shq h TYR 6 Cb -0.07 0.03 -0.02 0.00 1.55 0.00 0.00 36.73 38.22 1shq h TYR 6 CO 0.00 -0.02 -0.73 -1.49 -1.32 0.00 0.00 178.16 174.60 1shq h TRP 7 N 0.11 0.06 -0.39 -3.82 4.06 -1.14 -0.41 115.95 114.43 1shq h TRP 7 Ca 0.14 -0.03 -0.14 0.00 2.06 0.00 0.00 58.89 60.92 1shq h TRP 7 Cb 0.17 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.31 1shq h TRP 7 CO -0.20 0.75 -0.31 -0.91 -3.56 0.00 0.00 178.44 174.21 1shq h ASN 8 N 0.03 0.94 -0.00 -3.49 2.35 -1.10 0.28 115.58 114.58 1shq h ASN 8 Ca -0.01 -0.45 -0.17 0.00 -0.55 0.00 0.00 56.30 55.12 1shq h ASN 8 Cb 1.29 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 39.39 1shq h ASN 8 CO 0.10 1.19 -0.57 0.50 -1.65 0.00 0.00 177.43 177.00 1shq h LYS 9 N 0.71 0.60 -0.40 0.81 3.64 -1.06 -1.08 116.57 119.78 1shq h LYS 9 Ca 0.07 -0.39 0.05 0.00 -1.27 0.00 0.00 60.65 59.12 1shq h LYS 9 Cb 0.90 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.72 1shq h LYS 9 CO 0.08 1.00 0.13 0.22 -2.27 0.00 0.00 179.45 178.61 1shq h ASP 10 N 0.45 0.11 -0.05 4.20 3.58 -0.68 -2.52 116.42 121.52 1shq h ASP 10 Ca 0.00 0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.49 1shq h ASP 10 Cb 1.13 0.05 -0.00 0.00 1.72 0.00 0.00 39.33 42.22 1shq h ASP 10 CO 0.11 0.10 -0.03 0.00 -2.88 0.00 0.00 179.24 176.54 1shq h ALA 11 N 1.27 0.07 -0.91 -0.78 0.00 -0.27 -2.55 119.26 116.10 1shq h ALA 11 Ca 0.19 -0.24 0.10 0.00 0.00 0.00 0.00 54.91 54.96 1shq h ALA 11 Cb 0.19 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.89 1shq h ALA 11 CO -0.21 -0.18 0.55 1.96 0.00 0.00 0.00 179.25 181.38 1shq h GLN 12 N -0.29 0.90 -0.55 0.00 1.08 -1.18 0.45 115.11 115.53 1shq h GLN 12 Ca 0.01 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.13 1shq h GLN 12 Cb 0.48 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.68 1shq h GLN 12 CO 0.01 0.60 0.23 -0.44 -0.95 0.00 0.00 178.83 178.27 1shq h ASP 13 N 0.93 0.75 0.31 1.46 3.32 -1.48 0.28 116.42 121.99 1shq h ASP 13 Ca 0.43 -0.16 -0.08 0.00 0.02 0.00 0.00 57.03 57.24 1shq h ASP 13 Cb 0.36 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1shq h ASP 13 CO -0.24 0.70 -0.36 0.00 -1.72 0.00 0.00 179.24 177.62 1shq h ALA 14 N 1.07 1.32 -0.30 3.45 0.00 -0.81 -0.00 119.26 123.98 1shq h ALA 14 Ca 0.18 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 1shq h ALA 14 Cb 0.18 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1shq h ALA 14 CO -0.02 0.50 -0.27 1.25 0.00 0.00 0.00 179.25 180.71 1shq h LEU 15 N 0.07 0.76 -0.47 0.00 5.85 0.39 -1.40 115.31 120.51 1shq h LEU 15 Ca 0.01 -0.46 0.02 0.00 0.84 0.00 0.00 57.88 58.29 1shq h LEU 15 Cb 0.68 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 1shq h LEU 15 CO 0.05 1.06 0.28 0.44 -0.34 0.00 0.00 178.44 179.93 1shq h ASP 16 N 0.47 0.45 -0.88 1.25 3.32 0.07 0.41 116.42 121.50 1shq h ASP 16 Ca 0.05 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.13 1shq h ASP 16 Cb 0.83 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 40.25 1shq h ASP 16 CO 0.07 0.32 0.58 0.50 -1.72 0.00 0.00 179.24 178.98 1shq h LYS 17 N 0.56 1.11 -0.15 3.56 3.64 -0.78 -0.48 116.57 124.03 1shq h LYS 17 Ca 0.19 -0.07 -0.18 0.00 -1.27 0.00 0.00 60.65 59.33 1shq h LYS 17 Cb 0.02 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 31.59 1shq h LYS 17 CO -0.09 0.73 -0.64 0.37 -2.27 0.00 0.00 179.45 177.56 1shq h GLN 18 N 1.14 0.53 0.00 1.90 5.75 -0.57 -1.93 115.11 121.94 1shq h GLN 18 Ca 0.34 -0.38 -0.00 0.00 -0.15 0.00 0.00 58.65 58.46 1shq h GLN 18 Cb -0.05 0.06 -0.00 0.00 1.07 0.00 0.00 27.48 28.56 1shq h GLN 18 CO -0.10 1.00 -0.02 -0.07 -2.65 0.00 0.00 178.83 176.99 1shq h LEU 19 N 0.39 0.00 -0.90 -2.39 3.38 -0.12 -2.90 115.31 112.77 1shq h LEU 19 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1shq h LEU 19 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1shq h LEU 19 CO 0.12 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.27 1shq n GLY 20 N 0.38 0.00 3.68 0.83 0.00 -0.27 -4.94 105.19 104.87 1shq n GLY 20 Ca 0.02 -0.39 -0.45 0.00 0.00 0.00 0.00 46.02 45.20 1shq n GLY 20 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1shq n ILE 21 N 0.10 0.26 -3.81 -0.61 5.41 -1.10 -4.98 119.36 114.63 1shq n ILE 21 Ca 0.17 -0.05 -0.36 0.00 1.00 0.00 0.00 62.75 63.52 1shq n ILE 21 Cb 0.30 -1.87 -0.13 0.00 -0.71 0.00 0.00 39.64 37.23 1shq n ILE 21 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1shq s LYS 22 N 2.28 3.43 0.46 0.38 2.47 -1.26 -5.09 119.74 122.41 1shq s LYS 22 Ca 0.82 -0.61 -0.24 0.00 -1.56 0.00 0.00 55.97 54.38 1shq s LYS 22 Cb -0.59 -3.22 -0.07 0.00 -1.46 0.00 0.00 37.83 32.49 1shq s LYS 22 CO 0.40 -0.25 1.27 -0.51 0.16 0.00 0.00 175.35 176.42 1shq s LEU 23 N 1.54 4.05 -0.48 5.43 1.43 -1.26 -4.98 118.68 124.40 1shq s LEU 23 Ca 0.05 2.56 -0.04 0.00 -1.03 0.00 0.00 54.13 55.68 1shq s LEU 23 Cb -0.15 -4.12 0.13 0.00 0.03 0.00 0.00 46.19 42.07 1shq s LEU 23 CO 0.01 -1.07 0.29 -0.13 0.23 0.00 0.00 176.35 175.68 1shq s ARG 24 N -2.58 2.22 -0.75 1.70 0.52 -1.26 -4.94 118.95 113.85 1shq s ARG 24 Ca 0.63 -2.01 0.00 0.00 -0.52 0.00 0.00 55.73 53.83 1shq s ARG 24 Cb -0.35 -3.67 0.36 0.00 0.52 0.00 0.00 34.95 31.81 1shq s ARG 24 CO 0.44 -1.12 1.73 0.39 0.02 0.00 0.00 175.30 176.76 1shq n GLU 25 N 4.32 3.21 -4.27 3.54 1.02 -1.26 -0.54 120.64 126.67 1shq n GLU 25 Ca 0.00 -3.94 -0.20 0.00 -0.02 0.00 0.00 57.16 53.01 1shq n GLU 25 Cb 0.40 -2.28 -0.11 0.00 -0.02 0.00 0.00 31.44 29.43 1shq n GLU 25 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1shq s LYS 26 N -3.95 1.10 0.50 3.49 -2.85 -1.26 -5.05 119.74 111.71 1shq s LYS 26 Ca 0.50 -1.27 -0.23 0.00 -1.00 0.00 0.00 55.97 53.96 1shq s LYS 26 Cb 0.40 -1.06 -0.07 0.00 -2.06 0.00 0.00 37.83 35.04 1shq s LYS 26 CO -0.32 0.21 1.28 0.94 0.10 0.00 0.00 175.35 177.56 1shq n GLN 27 N 0.53 1.73 -3.15 1.78 7.27 -1.26 -4.60 117.38 119.68 1shq n GLN 27 Ca -0.15 0.63 -0.39 0.00 0.07 0.00 0.00 57.00 57.15 1shq n GLN 27 Cb 0.57 -2.45 -0.05 0.00 2.41 0.00 0.00 30.24 30.71 1shq n GLN 27 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1shq s ALA 28 N -1.27 3.43 -0.13 1.69 0.00 0.33 -4.83 121.76 120.99 1shq s ALA 28 Ca 0.67 -0.07 -0.28 0.00 0.00 0.00 0.00 51.96 52.28 1shq s ALA 28 Cb -0.46 -2.86 -0.26 0.00 0.00 0.00 0.00 23.12 19.54 1shq s ALA 28 CO 0.53 -0.18 0.80 -0.22 0.00 0.00 0.00 175.76 176.69 1shq h LYS 29 N 6.92 0.03 -6.74 0.00 3.64 -1.55 -3.39 116.57 115.49 1shq h LYS 29 Ca -0.39 -0.05 -0.68 0.00 -1.27 0.00 0.00 60.65 58.26 1shq h LYS 29 Cb 1.18 0.02 -0.19 0.00 -0.41 0.00 0.00 32.23 32.83 1shq h LYS 29 CO 0.76 1.01 -0.81 -0.80 -2.27 0.00 0.00 179.45 177.35 1shq s ASN 30 N -6.29 3.83 -0.04 4.20 0.01 -0.53 -3.25 114.94 112.88 1shq s ASN 30 Ca -0.18 -0.58 -0.01 0.00 -0.71 0.00 0.00 52.86 51.38 1shq s ASN 30 Cb -0.02 -0.52 0.03 0.00 0.41 0.00 0.00 41.25 41.15 1shq s ASN 30 CO 0.70 0.18 0.02 -0.69 -1.51 0.00 0.00 177.10 175.80 1shq s VAL 31 N -1.13 0.12 -0.17 1.60 1.01 -0.35 -1.70 120.40 119.77 1shq s VAL 31 Ca 0.18 0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.36 1shq s VAL 31 Cb -0.11 -0.27 0.02 0.00 0.00 0.00 0.00 36.38 36.03 1shq s VAL 31 CO 0.10 0.17 -0.16 -0.63 0.00 0.00 0.00 175.10 174.57 1shq s ILE 32 N 1.52 1.83 -0.27 2.22 1.01 -0.38 -1.24 121.20 125.90 1shq s ILE 32 Ca -0.03 -0.85 -0.02 0.00 0.00 0.00 0.00 60.65 59.75 1shq s ILE 32 Cb -0.13 -1.71 0.04 0.00 0.01 0.00 0.00 42.46 40.67 1shq s ILE 32 CO -0.03 0.45 -0.03 0.12 0.00 0.00 0.00 174.94 175.46 1shq s PHE 33 N 1.37 3.16 -0.10 3.97 2.19 -0.38 -1.54 117.98 126.66 1shq s PHE 33 Ca 0.04 -1.69 -0.13 0.00 0.33 0.00 0.00 56.93 55.48 1shq s PHE 33 Cb -0.13 -2.09 -0.05 0.00 -1.31 0.00 0.00 43.02 39.44 1shq s PHE 33 CO -0.11 -0.76 0.31 -0.06 1.83 0.00 0.00 175.22 176.43 1shq s PHE 34 N 1.30 3.57 -0.25 10.12 0.40 0.66 -1.20 117.98 132.57 1shq s PHE 34 Ca -0.02 0.72 -0.00 0.00 -0.60 0.00 0.00 56.93 57.02 1shq s PHE 34 Cb -0.18 -2.27 0.07 0.00 0.51 0.00 0.00 43.02 41.15 1shq s PHE 34 CO -0.03 0.44 0.00 -1.17 0.70 0.00 0.00 175.22 175.17 1shq s LEU 35 N -0.23 2.37 -0.57 -0.37 1.98 -0.21 -1.41 118.68 120.24 1shq s LEU 35 Ca 0.19 -1.26 -0.25 0.00 -2.89 0.00 0.00 54.13 49.92 1shq s LEU 35 Cb -0.14 -1.02 0.04 0.00 0.66 0.00 0.00 46.19 45.73 1shq s LEU 35 CO 0.07 -0.30 1.01 -0.83 -1.89 0.00 0.00 176.35 174.42 1shq s GLY 36 N 1.50 1.32 -0.23 7.98 0.00 -0.05 -0.72 107.32 117.12 1shq s GLY 36 Ca -0.01 -1.18 -0.29 0.00 0.00 0.00 0.00 44.72 43.25 1shq s GLY 36 CO -0.10 2.18 1.74 -0.35 0.00 0.00 0.00 173.10 176.57 1shq s ASP 37 N 2.95 6.18 0.00 1.64 -1.08 -0.81 -1.77 116.67 123.78 1shq s ASP 37 Ca 0.33 1.64 0.00 0.00 -0.52 0.00 0.00 52.55 54.00 1shq s ASP 37 Cb -0.11 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.82 1shq s ASP 37 CO 0.20 -1.42 0.00 0.61 0.52 0.00 0.00 175.17 175.08 1shq n GLY 38 N 4.95 0.69 3.52 2.66 0.00 -1.15 -0.93 105.19 114.92 1shq n GLY 38 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 1shq n GLY 38 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1shq s MET 39 N -0.37 3.91 0.89 1.61 1.75 -0.73 -3.60 119.30 122.76 1shq s MET 39 Ca 0.00 -2.02 -0.11 0.00 -1.25 0.00 0.00 55.69 52.31 1shq s MET 39 Cb 0.00 -5.26 0.13 0.00 2.84 0.00 0.00 34.83 32.53 1shq s MET 39 CO 0.00 -2.02 1.11 -1.54 -0.65 0.00 0.00 175.02 171.92 1shq s SER 40 N 3.80 3.32 0.27 1.11 1.04 -1.26 -4.66 113.70 117.32 1shq s SER 40 Ca 0.46 1.91 -0.02 0.00 0.48 0.00 0.00 55.95 58.78 1shq s SER 40 Cb -0.00 -2.47 0.43 0.00 0.10 0.00 0.00 66.02 64.07 1shq s SER 40 CO -0.00 -2.80 1.89 -0.07 0.98 0.00 0.00 173.24 173.24 1shq h LEU 41 N -1.66 1.02 -1.20 2.42 3.38 -1.93 0.49 115.31 117.83 1shq h LEU 41 Ca -0.46 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 1shq h LEU 41 Cb 1.26 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 1shq h LEU 41 CO 0.47 0.65 0.34 0.77 0.09 0.00 0.00 178.44 180.77 1shq h SER 42 N 1.16 0.80 -0.96 -0.43 4.64 -1.92 -1.42 113.55 115.42 1shq h SER 42 Ca 0.43 -0.06 0.01 0.00 -0.47 0.00 0.00 61.79 61.69 1shq h SER 42 Cb 0.17 -0.20 -0.05 0.00 -0.31 0.00 0.00 62.40 62.01 1shq h SER 42 CO -0.17 0.65 0.64 0.74 -0.87 0.00 0.00 176.83 177.82 1shq h THR 43 N 0.90 1.24 -0.17 2.95 2.02 -1.29 -0.72 112.91 117.84 1shq h THR 43 Ca 0.23 -0.44 -0.04 0.00 0.77 0.00 0.00 66.41 66.93 1shq h THR 43 Cb 0.04 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.27 1shq h THR 43 CO -0.04 0.24 -0.04 0.58 0.37 0.00 0.00 175.52 176.63 1shq h VAL 44 N 1.29 1.28 -0.19 3.16 2.07 -0.28 0.20 116.25 123.79 1shq h VAL 44 Ca 0.36 -0.99 0.01 0.00 0.82 0.00 0.00 66.70 66.90 1shq h VAL 44 Cb -0.14 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1shq h VAL 44 CO -0.08 0.29 0.10 0.74 0.02 0.00 0.00 177.57 178.64 1shq h THR 45 N 0.04 1.01 -0.59 2.57 2.02 -1.15 0.17 112.91 116.98 1shq h THR 45 Ca 0.04 -0.07 -0.08 0.00 0.77 0.00 0.00 66.41 67.08 1shq h THR 45 Cb 0.47 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 1shq h THR 45 CO 0.02 0.04 0.06 0.00 0.37 0.00 0.00 175.52 176.01 1shq h ALA 46 N 1.09 1.00 -0.50 6.16 0.00 -1.08 -2.21 119.26 123.73 1shq h ALA 46 Ca 0.08 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 1shq h ALA 46 Cb 0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1shq h ALA 46 CO -0.05 0.63 -0.12 0.00 0.00 0.00 0.00 179.25 179.71 1shq h ALA 47 N 1.15 0.85 -0.43 0.00 0.00 -0.34 0.71 119.26 121.20 1shq h ALA 47 Ca 0.18 -0.34 0.06 0.00 0.00 0.00 0.00 54.91 54.81 1shq h ALA 47 Cb 0.44 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1shq h ALA 47 CO 0.02 0.65 0.12 -0.09 0.00 0.00 0.00 179.25 179.94 1shq h ARG 48 N 0.83 0.26 -0.14 0.00 2.43 -0.36 0.17 114.38 117.56 1shq h ARG 48 Ca 0.13 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.12 1shq h ARG 48 Cb 0.65 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 1shq h ARG 48 CO 0.05 0.17 -0.60 0.82 -1.51 0.00 0.00 179.97 178.90 1shq h ILE 49 N 0.26 1.34 -0.20 1.20 2.04 -1.11 -1.21 117.51 119.84 1shq h ILE 49 Ca 0.21 -1.90 -0.00 0.00 1.00 0.00 0.00 64.86 64.17 1shq h ILE 49 Cb 0.24 1.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 1shq h ILE 49 CO -0.25 0.58 0.12 0.22 0.00 0.00 0.00 178.15 178.83 1shq h TYR 50 N 0.34 0.26 -0.40 1.37 3.20 -0.46 -1.90 116.97 119.38 1shq h TYR 50 Ca -0.00 0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.92 1shq h TYR 50 Cb 1.14 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 39.28 1shq h TYR 50 CO 0.04 0.20 0.11 -0.22 -1.64 0.00 0.00 178.16 176.65 1shq h LYS 51 N 0.25 0.25 -0.51 1.82 3.64 -0.43 -2.71 116.57 118.89 1shq h LYS 51 Ca 0.07 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.53 1shq h LYS 51 Cb 0.01 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 1shq h LYS 51 CO -0.01 0.17 0.34 0.78 -2.27 0.00 0.00 179.45 178.46 1shq h GLY 52 N 0.26 0.42 1.35 5.01 0.00 -0.74 0.26 103.07 109.63 1shq h GLY 52 Ca 0.19 -0.12 -0.09 0.00 0.00 0.00 0.00 47.33 47.30 1shq h GLY 52 CO -0.22 0.08 -0.11 -1.33 0.00 0.00 0.00 176.54 174.96 1shq h GLY 53 N 0.31 0.83 1.14 4.60 0.00 -1.03 0.43 103.07 109.34 1shq h GLY 53 Ca 0.23 -0.63 -0.23 0.00 0.00 0.00 0.00 47.33 46.71 1shq h GLY 53 CO -0.05 0.58 -0.82 1.41 0.00 0.00 0.00 176.54 177.65 1shq h LEU 54 N 0.70 0.90 0.00 3.11 3.38 -0.45 -3.35 115.31 119.60 1shq h LEU 54 Ca 0.12 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.42 1shq h LEU 54 Cb 0.59 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1shq h LEU 54 CO 0.04 1.43 -0.80 0.71 0.09 0.00 0.00 178.44 179.90 1shq h THR 55 N 0.44 0.00 0.00 0.22 1.35 -1.04 -3.48 112.91 110.40 1shq h THR 55 Ca -0.07 -0.91 0.00 0.00 -0.55 0.00 0.00 66.41 64.87 1shq h THR 55 Cb 1.46 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 69.37 1shq h THR 55 CO 0.17 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.05 1shq n GLY 56 N 1.20 0.66 0.08 5.82 0.00 0.14 -4.92 105.19 108.16 1shq n GLY 56 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 1shq n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1shq h LYS 57 N 4.34 0.02 0.00 1.61 1.57 -1.78 -3.49 116.57 118.84 1shq h LYS 57 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1shq h LYS 57 Cb 0.00 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1shq h LYS 57 CO 0.00 0.65 0.00 1.19 -0.57 0.00 0.00 179.45 180.72 1shq n PHE 58 N -3.14 0.00 0.28 -1.35 3.72 -0.78 -2.83 117.46 113.36 1shq n PHE 58 Ca -0.14 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.44 1shq n PHE 58 Cb 1.03 0.00 0.95 0.00 -0.94 0.00 0.00 39.48 40.52 1shq n PHE 58 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1shq h GLU 59 N 0.00 0.00 -0.00 -1.08 3.07 -1.90 -1.35 114.58 113.32 1shq h GLU 59 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1shq h GLU 59 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1shq h GLU 59 CO 0.00 0.00 -0.12 0.54 -1.40 0.00 0.00 179.01 178.03 1shq n ARG 60 N -2.78 0.66 -0.88 2.33 5.12 -1.13 -4.90 116.66 115.08 1shq n ARG 60 Ca -0.02 -0.24 -0.31 0.00 -1.93 0.00 0.00 57.85 55.35 1shq n ARG 60 Cb 0.08 -1.50 0.14 0.00 -1.16 0.00 0.00 32.46 30.03 1shq n ARG 60 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1shq s GLU 61 N -2.50 1.36 0.02 5.56 2.56 -0.51 -5.04 118.70 120.16 1shq s GLU 61 Ca 0.28 1.40 0.04 0.00 0.00 0.00 0.00 54.97 56.68 1shq s GLU 61 Cb 0.20 -1.78 -0.02 0.00 2.00 0.00 0.00 34.13 34.53 1shq s GLU 61 CO 0.48 -2.34 -0.12 0.15 -0.56 0.00 0.00 175.26 172.87 1shq s LYS 62 N -4.73 0.84 0.10 4.30 1.02 -1.26 -4.95 119.74 115.06 1shq s LYS 62 Ca 0.65 -0.61 -0.19 0.00 0.02 0.00 0.00 55.97 55.84 1shq s LYS 62 Cb -0.21 -0.81 -0.07 0.00 -0.52 0.00 0.00 37.83 36.22 1shq s LYS 62 CO 0.57 0.20 0.58 0.42 -0.92 0.00 0.00 175.35 176.21 1shq s ILE 63 N -0.68 4.74 0.25 2.17 -1.09 -1.26 -4.98 121.20 120.35 1shq s ILE 63 Ca 0.01 1.16 -0.03 0.00 -2.23 0.00 0.00 60.65 59.56 1shq s ILE 63 Cb -0.07 -3.87 0.22 0.00 -1.58 0.00 0.00 42.46 37.16 1shq s ILE 63 CO 0.01 0.47 1.77 0.77 -1.23 0.00 0.00 174.94 176.72 1shq h SER 64 N 4.25 0.49 0.99 3.58 4.64 -2.00 0.11 113.55 125.60 1shq h SER 64 Ca -0.49 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1shq h SER 64 Cb 1.21 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1shq h SER 64 CO 0.64 0.23 0.00 -2.67 -0.87 0.00 0.00 176.83 174.16 1shq n TRP 65 N -4.88 0.29 0.81 4.77 2.14 -1.26 -2.11 117.44 117.19 1shq n TRP 65 Ca 0.15 0.09 0.09 0.00 2.07 0.00 0.00 57.50 59.90 1shq n TRP 65 Cb 0.38 -0.65 0.45 0.00 -0.81 0.00 0.00 31.31 30.68 1shq n TRP 65 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 1shq n GLU 66 N -1.74 0.17 0.00 -2.67 1.02 0.39 -2.14 120.64 115.67 1shq n GLU 66 Ca 0.06 0.13 0.14 0.00 -0.02 0.00 0.00 57.16 57.47 1shq n GLU 66 Cb 0.32 -1.50 0.62 0.00 -0.02 0.00 0.00 31.44 30.86 1shq n GLU 66 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1shq n GLU 67 N -1.37 0.02 -2.18 3.49 -0.58 -0.90 -4.83 120.64 114.30 1shq n GLU 67 Ca 0.07 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.46 1shq n GLU 67 Cb 0.18 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.56 1shq n GLU 67 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1shq s PHE 68 N -2.98 2.62 -0.85 -0.32 0.08 -0.91 -4.96 117.98 110.67 1shq s PHE 68 Ca 0.15 1.53 0.26 0.00 0.12 0.00 0.00 56.93 58.99 1shq s PHE 68 Cb 0.19 -3.38 0.76 0.00 -0.57 0.00 0.00 43.02 40.02 1shq s PHE 68 CO 0.52 -1.78 1.63 -0.25 -0.10 0.00 0.00 175.22 175.24 1shq n ASP 69 N -1.20 0.48 -4.17 1.36 8.00 -1.26 -4.80 116.55 114.97 1shq n ASP 69 Ca 0.11 0.27 -0.33 0.00 0.71 0.00 0.00 54.79 55.55 1shq n ASP 69 Cb 0.50 -0.25 -0.16 0.00 -0.02 0.00 0.00 41.12 41.18 1shq n ASP 69 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1shq s PHE 70 N -3.07 2.68 0.13 1.24 0.08 -1.25 -5.07 117.98 112.73 1shq s PHE 70 Ca 0.11 -1.36 0.06 0.00 0.12 0.00 0.00 56.93 55.85 1shq s PHE 70 Cb 0.16 -1.82 -0.04 0.00 -0.57 0.00 0.00 43.02 40.74 1shq s PHE 70 CO 0.63 -0.62 -0.14 0.00 -0.10 0.00 0.00 175.22 174.98 1shq s ALA 71 N 0.85 1.54 0.28 5.36 0.00 -1.26 -0.95 121.76 127.59 1shq s ALA 71 Ca -0.06 -1.31 -0.08 0.00 0.00 0.00 0.00 51.96 50.51 1shq s ALA 71 Cb -0.15 -0.09 -0.00 0.00 0.00 0.00 0.00 23.12 22.88 1shq s ALA 71 CO -0.03 0.12 0.46 0.00 0.00 0.00 0.00 175.76 176.31 1shq s ALA 72 N -2.12 0.24 0.13 0.00 0.00 0.10 -4.30 121.76 115.81 1shq s ALA 72 Ca 0.09 -1.19 0.07 0.00 0.00 0.00 0.00 51.96 50.94 1shq s ALA 72 Cb -0.05 1.11 -0.04 0.00 0.00 0.00 0.00 23.12 24.14 1shq s ALA 72 CO 0.03 -0.81 -0.08 -0.51 0.00 0.00 0.00 175.76 174.39 1shq s LEU 73 N -3.11 3.07 -0.10 0.00 1.43 -0.57 -0.93 118.68 118.47 1shq s LEU 73 Ca 0.27 -0.43 -0.00 0.00 -1.03 0.00 0.00 54.13 52.94 1shq s LEU 73 Cb -0.00 -1.82 0.02 0.00 0.03 0.00 0.00 46.19 44.42 1shq s LEU 73 CO 0.13 0.15 -0.07 -0.55 0.23 0.00 0.00 176.35 176.24 1shq s SER 74 N -2.45 2.04 -0.20 2.29 0.15 0.23 -0.60 113.70 115.15 1shq s SER 74 Ca 0.23 -0.27 -0.25 0.00 0.70 0.00 0.00 55.95 56.36 1shq s SER 74 Cb -0.10 -0.78 -0.01 0.00 -1.71 0.00 0.00 66.02 63.42 1shq s SER 74 CO 0.15 -0.11 0.85 -0.54 1.20 0.00 0.00 173.24 174.79 1shq s LYS 75 N 1.64 4.26 0.00 5.44 1.02 0.15 -2.04 119.74 130.20 1shq s LYS 75 Ca 0.03 1.03 0.13 0.00 0.02 0.00 0.00 55.97 57.18 1shq s LYS 75 Cb -0.13 -3.60 0.01 0.00 -0.52 0.00 0.00 37.83 33.58 1shq s LYS 75 CO -0.07 -0.42 0.77 0.25 -0.92 0.00 0.00 175.35 174.96 1shq n THR 76 N 4.97 0.00 -1.41 2.17 -2.24 -1.26 -1.83 114.28 114.67 1shq n THR 76 Ca 0.06 -0.37 -0.37 0.00 -2.27 0.00 0.00 64.05 61.09 1shq n THR 76 Cb 0.48 1.17 0.05 0.00 -2.10 0.00 0.00 70.33 69.93 1shq n THR 76 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1shq n TYR 77 N -0.10 -0.65 -3.27 4.78 0.18 -1.26 -4.33 117.16 112.51 1shq n TYR 77 Ca 0.06 0.41 0.00 0.00 1.88 0.00 0.00 57.90 60.25 1shq n TYR 77 Cb 0.28 -1.95 0.00 0.00 -0.38 0.00 0.00 39.34 37.29 1shq n TYR 77 CO 0.00 0.00 0.00 0.27 -2.08 0.00 0.00 176.86 175.05 1shq n ASN 78 N 0.19 1.74 0.19 9.48 0.23 -0.77 -4.97 115.26 121.34 1shq n ASN 78 Ca 0.11 -0.40 0.14 0.00 -0.53 0.00 0.00 54.58 53.90 1shq n ASN 78 Cb 0.48 0.00 0.45 0.00 -2.08 0.00 0.00 39.78 38.63 1shq n ASN 78 CO 0.00 0.00 0.00 0.71 -0.93 0.00 0.00 177.26 177.04 1shq h THR 79 N 0.35 0.00 0.00 5.53 1.35 -1.65 -3.35 112.91 115.14 1shq h THR 79 Ca 0.00 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 1shq h THR 79 Cb 0.00 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 1shq h THR 79 CO 0.00 0.00 -0.07 -0.90 -0.25 0.00 0.00 175.52 174.30 1shq n ASP 80 N -2.69 0.37 -4.20 5.36 5.75 -1.26 -4.95 116.55 114.93 1shq n ASP 80 Ca 0.03 -0.19 -0.19 0.00 -0.01 0.00 0.00 54.79 54.43 1shq n ASP 80 Cb 0.37 0.45 -0.12 0.00 -1.03 0.00 0.00 41.12 40.79 1shq n ASP 80 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1shq s LYS 81 N -0.52 0.89 0.12 0.11 -0.14 -1.26 -5.01 119.74 113.94 1shq s LYS 81 Ca 0.00 -1.03 -0.10 0.00 -1.36 0.00 0.00 55.97 53.48 1shq s LYS 81 Cb 0.00 -0.92 -0.10 0.00 -1.68 0.00 0.00 37.83 35.13 1shq s LYS 81 CO 0.00 0.20 1.34 1.96 -0.76 0.00 0.00 175.35 178.10 1shq h GLN 82 N 4.15 0.72 -4.53 1.68 4.20 -1.97 -2.05 115.11 117.31 1shq h GLN 82 Ca -0.42 -0.57 -0.71 0.00 0.06 0.00 0.00 58.65 57.02 1shq h GLN 82 Cb 1.19 0.12 -0.29 0.00 0.30 0.00 0.00 27.48 28.79 1shq h GLN 82 CO 0.41 1.19 -0.52 0.08 -0.67 0.00 0.00 178.83 179.32 1shq s VAL 83 N -3.75 3.94 0.50 -0.54 1.01 -1.26 -3.99 120.40 116.30 1shq s VAL 83 Ca -0.09 -1.42 -0.18 0.00 0.00 0.00 0.00 61.98 60.29 1shq s VAL 83 Cb 0.09 -3.39 -0.08 0.00 0.00 0.00 0.00 36.38 33.00 1shq s VAL 83 CO 0.89 -0.43 0.99 0.28 0.00 0.00 0.00 175.10 176.84 1shq s THR 84 N 1.37 4.29 0.46 3.92 -1.32 -1.26 -4.97 115.64 118.13 1shq s THR 84 Ca 0.02 1.21 -0.04 0.00 -1.21 0.00 0.00 61.69 61.67 1shq s THR 84 Cb -0.22 -3.60 0.10 0.00 -1.51 0.00 0.00 72.50 67.27 1shq s THR 84 CO 0.01 -0.52 0.62 -0.90 -2.21 0.00 0.00 174.62 171.63 1shq n ASP 85 N -1.35 0.43 0.14 8.08 5.75 -1.26 -4.87 116.55 123.47 1shq n ASP 85 Ca 0.07 -1.46 0.00 0.00 -0.01 0.00 0.00 54.79 53.40 1shq n ASP 85 Cb 0.54 -0.44 0.19 0.00 -1.03 0.00 0.00 41.12 40.38 1shq n ASP 85 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1shq h SER 86 N -0.60 0.00 0.10 -1.12 0.02 -1.97 -3.15 113.55 106.83 1shq h SER 86 Ca -0.20 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.74 1shq h SER 86 Cb 0.65 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.19 1shq h SER 86 CO 0.18 0.58 -0.05 0.00 -1.14 0.00 0.00 176.83 176.40 1shq h ALA 87 N 1.42 -0.14 -0.77 3.77 0.00 -1.88 -2.34 119.26 119.33 1shq h ALA 87 Ca -0.01 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1shq h ALA 87 Cb 1.09 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 1shq h ALA 87 CO 0.07 -0.29 0.33 0.00 0.00 0.00 0.00 179.25 179.36 1shq h ALA 88 N 0.05 0.99 -0.74 0.00 0.00 -1.69 -1.62 119.26 116.26 1shq h ALA 88 Ca -0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1shq h ALA 88 Cb 0.54 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1shq h ALA 88 CO 0.02 0.59 0.35 0.66 0.00 0.00 0.00 179.25 180.88 1shq h SER 89 N 1.09 0.97 -0.91 0.00 4.64 -1.64 -1.52 113.55 116.19 1shq h SER 89 Ca 0.26 -0.14 0.01 0.00 -0.47 0.00 0.00 61.79 61.45 1shq h SER 89 Cb 0.18 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 61.97 1shq h SER 89 CO -0.03 0.83 0.59 0.00 -0.87 0.00 0.00 176.83 177.36 1shq h ALA 90 N 1.18 1.15 -0.81 5.18 0.00 -1.12 0.11 119.26 124.95 1shq h ALA 90 Ca 0.25 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1shq h ALA 90 Cb 0.12 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 1shq h ALA 90 CO -0.03 0.56 0.54 1.15 0.00 0.00 0.00 179.25 181.47 1shq h THR 91 N 1.23 1.19 0.47 0.00 2.02 -0.89 0.80 112.91 117.73 1shq h THR 91 Ca 0.33 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 1shq h THR 91 Cb -0.12 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.31 1shq h THR 91 CO -0.07 0.20 -0.23 0.00 0.37 0.00 0.00 175.52 175.79 1shq h ALA 92 N 1.50 -0.63 0.00 6.16 0.00 0.08 -1.83 119.26 124.53 1shq h ALA 92 Ca 0.30 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1shq h ALA 92 Cb -0.09 0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1shq h ALA 92 CO -0.07 -0.69 0.00 2.48 0.00 0.00 0.00 179.25 180.96 1shq n TYR 93 N -5.25 0.00 -0.06 0.00 0.18 0.18 -1.25 117.16 110.97 1shq n TYR 93 Ca -0.10 0.00 -0.05 0.00 1.88 0.00 0.00 57.90 59.62 1shq n TYR 93 Cb 0.31 -0.38 -0.10 0.00 -0.38 0.00 0.00 39.34 38.79 1shq n TYR 93 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1shq n LEU 94 N -1.38 0.00 -0.00 -3.48 4.77 0.26 -4.05 117.00 113.12 1shq n LEU 94 Ca 0.10 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.10 1shq n LEU 94 Cb 0.27 0.28 -0.02 0.00 -2.33 0.00 0.00 43.42 41.63 1shq n LEU 94 CO 0.24 0.28 -0.05 0.35 -1.33 0.00 0.00 177.39 176.87 1shq n THR 95 N -2.42 0.00 -0.22 -5.08 -2.24 -0.71 -0.87 114.28 102.74 1shq n THR 95 Ca -0.19 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 1shq n THR 95 Cb 0.86 0.95 0.00 0.00 -2.10 0.00 0.00 70.33 70.04 1shq n THR 95 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1shq n GLY 96 N 1.18 0.88 2.88 3.38 0.00 -0.38 -4.50 105.19 108.63 1shq n GLY 96 Ca 0.00 -0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 1shq n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1shq s VAL 97 N -2.00 0.19 0.59 1.61 1.01 -1.23 -4.83 120.40 115.74 1shq s VAL 97 Ca 0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 61.98 61.81 1shq s VAL 97 Cb 0.00 -0.20 -0.05 0.00 0.00 0.00 0.00 36.38 36.13 1shq s VAL 97 CO 0.00 0.09 1.02 -0.54 0.00 0.00 0.00 175.10 175.66 1shq s LYS 98 N 0.30 3.69 0.23 2.72 1.02 -1.26 -2.55 119.74 123.89 1shq s LYS 98 Ca -0.03 0.80 -0.07 0.00 0.02 0.00 0.00 55.97 56.69 1shq s LYS 98 Cb -0.05 -2.10 0.03 0.00 -0.52 0.00 0.00 37.83 35.19 1shq s LYS 98 CO -0.01 -0.49 0.43 -2.37 -0.92 0.00 0.00 175.35 172.00 1shq n THR 99 N -2.45 0.00 -2.37 2.17 5.66 -1.26 -4.27 114.28 111.76 1shq n THR 99 Ca 0.06 -0.74 -0.32 0.00 -3.05 0.00 0.00 64.05 60.00 1shq n THR 99 Cb 0.54 0.62 -0.03 0.00 -1.55 0.00 0.00 70.33 69.91 1shq n THR 99 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 1shq s ASN 100 N -2.28 6.54 0.07 1.09 0.01 -1.26 -1.74 114.94 117.37 1shq s ASN 100 Ca 0.12 1.60 -0.35 0.00 -0.71 0.00 0.00 52.86 53.52 1shq s ASN 100 Cb -0.02 -2.51 -0.15 0.00 0.41 0.00 0.00 41.25 38.98 1shq s ASN 100 CO 0.09 -0.64 1.56 1.67 -1.51 0.00 0.00 177.10 178.26 1shq n GLN 101 N -1.60 1.77 -0.86 -0.60 -0.06 -1.26 -1.96 117.38 112.81 1shq n GLN 101 Ca 0.07 0.64 0.00 0.00 -2.00 0.00 0.00 57.00 55.71 1shq n GLN 101 Cb 0.54 -2.37 0.00 0.00 -4.06 0.00 0.00 30.24 24.35 1shq n GLN 101 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1shq n GLY 102 N 3.32 0.79 3.63 1.69 0.00 -1.26 -4.78 105.19 108.58 1shq n GLY 102 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1shq n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1shq s VAL 103 N -3.03 4.05 -0.14 1.61 1.01 -0.83 -0.50 120.40 122.57 1shq s VAL 103 Ca 0.00 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1shq s VAL 103 Cb 0.00 -2.69 0.02 0.00 0.00 0.00 0.00 36.38 33.70 1shq s VAL 103 CO 0.00 0.59 -0.18 -0.63 0.00 0.00 0.00 175.10 174.88 1shq s ILE 104 N -0.72 1.80 -0.26 2.22 1.01 -0.71 -3.23 121.20 121.31 1shq s ILE 104 Ca 0.11 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.95 1shq s ILE 104 Cb -0.11 -1.63 0.00 0.00 0.01 0.00 0.00 42.46 40.73 1shq s ILE 104 CO 0.02 0.50 0.00 0.61 0.00 0.00 0.00 174.94 176.07 1shq n GLY 105 N 4.34 0.54 3.25 6.18 0.00 -1.26 -1.64 105.19 116.60 1shq n GLY 105 Ca -0.19 -0.26 -0.17 0.00 0.00 0.00 0.00 46.02 45.40 1shq n GLY 105 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1shq s LEU 106 N -0.56 2.43 0.00 0.99 1.43 -1.26 -1.06 118.68 120.66 1shq s LEU 106 Ca 0.00 -0.85 -0.11 0.00 -1.03 0.00 0.00 54.13 52.14 1shq s LEU 106 Cb 0.00 -0.53 0.20 0.00 0.03 0.00 0.00 46.19 45.88 1shq s LEU 106 CO 0.00 -0.17 1.22 -0.90 0.23 0.00 0.00 176.35 176.73 1shq n ASP 107 N 0.37 0.58 0.00 2.29 5.68 -0.34 -4.77 116.55 120.36 1shq n ASP 107 Ca -0.14 -1.74 0.06 0.00 -0.50 0.00 0.00 54.79 52.47 1shq n ASP 107 Cb 0.58 -0.89 0.32 0.00 -1.14 0.00 0.00 41.12 39.99 1shq n ASP 107 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1shq n ALA 108 N -3.51 1.72 0.25 2.12 0.00 -1.26 -0.98 120.51 118.86 1shq n ALA 108 Ca -0.20 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.31 1shq n ALA 108 Cb 0.59 -1.21 0.76 0.00 0.00 0.00 0.00 19.45 19.58 1shq n ALA 108 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1shq h ASN 109 N 0.00 0.00 -3.24 0.00 2.35 -1.96 -3.45 115.58 109.29 1shq h ASN 109 Ca 0.00 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.21 1shq h ASN 109 Cb 0.15 0.00 0.09 0.00 0.05 0.00 0.00 38.32 38.61 1shq h ASN 109 CO 0.00 0.00 0.81 0.41 -1.65 0.00 0.00 177.43 177.00 1shq n THR 110 N -4.21 1.15 -3.49 2.81 -1.04 -0.15 -4.96 114.28 104.38 1shq n THR 110 Ca -0.01 -0.29 -0.40 0.00 -2.04 0.00 0.00 64.05 61.31 1shq n THR 110 Cb 0.16 -1.86 -0.10 0.00 -1.82 0.00 0.00 70.33 66.70 1shq n THR 110 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1shq s VAL 111 N -0.17 5.25 0.12 12.58 1.01 -1.26 -4.90 120.40 133.02 1shq s VAL 111 Ca 0.63 0.07 -0.34 0.00 0.00 0.00 0.00 61.98 62.34 1shq s VAL 111 Cb -0.52 -3.69 -0.14 0.00 0.00 0.00 0.00 36.38 32.03 1shq s VAL 111 CO 0.51 0.06 1.59 -1.14 0.00 0.00 0.00 175.10 176.12 1shq n ARG 112 N 5.20 2.03 -0.25 2.72 0.63 -1.26 -1.82 116.66 123.91 1shq n ARG 112 Ca -0.12 0.73 0.00 0.00 -0.92 0.00 0.00 57.85 57.55 1shq n ARG 112 Cb 0.50 -2.50 0.00 0.00 0.45 0.00 0.00 32.46 30.92 1shq n ARG 112 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1shq n THR 113 N 3.54 0.00 -3.29 5.15 -1.04 0.26 -4.99 114.28 113.91 1shq n THR 113 Ca 0.18 0.00 -0.46 0.00 -2.04 0.00 0.00 64.05 61.73 1shq n THR 113 Cb 0.28 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.74 1shq n THR 113 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1shq s ASN 114 N -3.01 6.35 0.55 8.00 3.84 -0.76 -4.94 114.94 124.97 1shq s ASN 114 Ca 0.00 -2.00 0.30 0.00 0.21 0.00 0.00 52.86 51.37 1shq s ASN 114 Cb 0.00 -2.22 1.47 0.00 -0.55 0.00 0.00 41.25 39.94 1shq s ASN 114 CO 0.00 -0.81 1.89 0.00 -2.79 0.00 0.00 177.10 175.39 1shq h SER 116 N 0.00 0.45 0.76 0.00 0.02 -1.94 0.04 113.55 112.88 1shq h SER 116 Ca 0.35 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.31 1shq h SER 116 Cb 1.52 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.99 1shq h SER 116 CO -0.00 0.25 -0.05 1.88 -1.14 0.00 0.00 176.83 177.77 1shq h TYR 117 N 0.49 0.00 -0.01 3.45 -1.99 -1.70 -2.29 116.97 114.92 1shq h TYR 117 Ca 0.36 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.09 1shq h TYR 117 Cb 0.71 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.44 1shq h TYR 117 CO -0.00 0.05 -0.01 0.00 -0.00 0.00 0.00 178.16 178.19 1shq n GLN 118 N -3.21 1.23 0.03 4.88 10.64 0.00 -2.83 117.38 128.13 1shq n GLN 118 Ca -0.00 -0.43 0.12 0.00 -1.83 0.00 0.00 57.00 54.85 1shq n GLN 118 Cb 0.28 -1.49 0.12 0.00 -0.86 0.00 0.00 30.24 28.29 1shq n GLN 118 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1shq n LEU 119 N -0.51 0.63 -4.46 2.61 4.77 -0.86 -4.81 117.00 114.38 1shq n LEU 119 Ca 0.21 0.07 -0.44 0.00 -0.03 0.00 0.00 56.01 55.82 1shq n LEU 119 Cb 0.23 -0.16 -0.05 0.00 -2.33 0.00 0.00 43.42 41.11 1shq n LEU 119 CO 0.18 0.02 0.47 -0.62 -1.33 0.00 0.00 177.39 176.11 1shq s ASP 120 N -3.85 6.24 0.62 -1.43 -1.08 -1.13 -4.93 116.67 111.11 1shq s ASP 120 Ca 0.06 -0.84 0.36 0.00 -0.52 0.00 0.00 52.55 51.62 1shq s ASP 120 Cb 0.15 -2.33 2.05 0.00 -1.46 0.00 0.00 42.92 41.32 1shq s ASP 120 CO 0.75 -1.03 2.29 -0.33 0.52 0.00 0.00 175.17 177.37 1shq h GLU 121 N 9.13 0.00 0.00 4.34 5.08 -1.87 -1.39 114.58 129.87 1shq h GLU 121 Ca -0.27 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.01 1shq h GLU 121 Cb 1.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1shq h GLU 121 CO 1.02 0.01 -0.35 0.66 -1.00 0.00 0.00 179.01 179.35 1shq h SER 122 N 0.00 0.00 0.30 1.42 4.64 -1.96 -2.50 113.55 115.45 1shq h SER 122 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1shq h SER 122 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1shq h SER 122 CO 0.00 0.35 -0.02 0.18 -0.87 0.00 0.00 176.83 176.47 1shq n LEU 123 N -3.49 0.17 -4.74 5.97 4.77 -0.52 -4.92 117.00 114.23 1shq n LEU 123 Ca -0.00 0.09 -0.41 0.00 -0.03 0.00 0.00 56.01 55.66 1shq n LEU 123 Cb 0.51 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 1shq n LEU 123 CO 0.36 0.03 0.95 -0.36 -1.33 0.00 0.00 177.39 177.05 1shq s PHE 124 N -2.32 3.28 0.01 -1.77 0.40 -0.95 -1.19 117.98 115.44 1shq s PHE 124 Ca 0.36 1.31 0.03 0.00 -0.60 0.00 0.00 56.93 58.03 1shq s PHE 124 Cb 0.21 -3.56 -0.04 0.00 0.51 0.00 0.00 43.02 40.14 1shq s PHE 124 CO 0.43 -1.67 -0.04 0.95 0.70 0.00 0.00 175.22 175.58 1shq s THR 125 N -0.16 3.81 -0.04 0.64 -4.23 -0.22 -4.88 115.64 110.56 1shq s THR 125 Ca 0.54 -0.76 0.03 0.00 -1.18 0.00 0.00 61.69 60.32 1shq s THR 125 Cb -0.36 -2.69 -0.03 0.00 1.34 0.00 0.00 72.50 70.76 1shq s THR 125 CO 0.40 0.35 -0.11 -0.31 -0.54 0.00 0.00 174.62 174.41 1shq s TYR 126 N -1.06 2.79 0.62 3.99 2.02 -1.26 -4.73 117.35 119.72 1shq s TYR 126 Ca 0.19 -0.10 -0.09 0.00 -0.37 0.00 0.00 57.07 56.71 1shq s TYR 126 Cb -0.11 -1.63 -0.00 0.00 -0.40 0.00 0.00 41.96 39.81 1shq s TYR 126 CO 0.09 0.27 0.98 -1.54 -1.57 0.00 0.00 175.55 173.78 1shq s SER 127 N -0.94 5.71 0.49 2.29 1.04 -1.26 -4.43 113.70 116.60 1shq s SER 127 Ca 0.13 0.99 0.19 0.00 0.48 0.00 0.00 55.95 57.74 1shq s SER 127 Cb -0.11 -1.96 1.24 0.00 0.10 0.00 0.00 66.02 65.29 1shq s SER 127 CO 0.02 -1.08 2.08 -0.29 0.98 0.00 0.00 173.24 174.95 1shq h ILE 128 N -0.32 0.94 -0.37 -1.02 2.10 -1.33 -0.77 117.51 116.75 1shq h ILE 128 Ca -0.45 -0.37 -0.02 0.00 1.08 0.00 0.00 64.86 65.10 1shq h ILE 128 Cb 1.24 1.21 -0.02 0.00 -1.09 0.00 0.00 36.82 38.16 1shq h ILE 128 CO 0.62 0.10 0.15 0.00 -1.08 0.00 0.00 178.15 177.95 1shq h ALA 129 N 1.90 0.48 -0.48 0.18 0.00 -1.85 0.13 119.26 119.61 1shq h ALA 129 Ca -0.00 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 54.87 1shq h ALA 129 Cb 0.20 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 1shq h ALA 129 CO 0.01 0.07 0.05 1.25 0.00 0.00 0.00 179.25 180.64 1shq h HIS 130 N 0.45 0.07 -0.36 0.00 -0.00 -1.42 -1.27 115.15 112.63 1shq h HIS 130 Ca 0.12 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.52 1shq h HIS 130 Cb 0.17 0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 27.61 1shq h HIS 130 CO -0.00 -0.05 0.21 -1.49 -0.00 0.00 0.00 177.93 176.59 1shq h TRP 131 N 0.18 0.49 -0.71 5.26 -0.00 -0.92 -0.16 115.95 120.08 1shq h TRP 131 Ca 0.24 -0.01 0.09 0.00 -0.00 0.00 0.00 58.89 59.21 1shq h TRP 131 Cb 0.34 -0.16 -0.07 0.00 -0.00 0.00 0.00 29.16 29.27 1shq h TRP 131 CO -0.26 0.37 0.36 0.74 -0.00 0.00 0.00 178.44 179.66 1shq h PHE 132 N 0.46 0.65 0.12 0.49 -1.00 -0.24 -2.24 116.94 115.18 1shq h PHE 132 Ca 0.13 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.93 1shq h PHE 132 Cb 0.04 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 39.41 1shq h PHE 132 CO -0.03 0.24 -0.06 1.96 -1.61 0.00 0.00 178.31 178.82 1shq h GLN 133 N 0.62 -0.15 -0.85 1.51 4.20 -0.77 -1.02 115.11 118.66 1shq h GLN 133 Ca 0.35 0.01 0.25 0.00 0.06 0.00 0.00 58.65 59.31 1shq h GLN 133 Cb 0.35 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.14 1shq h GLN 133 CO -0.26 0.02 0.68 0.93 -0.67 0.00 0.00 178.83 179.53 1shq h GLU 134 N -0.30 0.00 -0.34 1.46 4.39 -0.86 0.32 114.58 119.26 1shq h GLU 134 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1shq h GLU 134 Cb 0.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1shq h GLU 134 CO 0.03 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.88 1shq n ALA 135 N -2.60 2.46 -2.06 3.43 0.00 -0.74 -4.93 120.51 116.07 1shq n ALA 135 Ca 0.18 -0.68 -0.04 0.00 0.00 0.00 0.00 53.44 52.89 1shq n ALA 135 Cb 0.98 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.43 1shq n ALA 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1shq n GLY 136 N 1.17 0.20 3.40 0.00 0.00 0.11 -5.06 105.19 105.01 1shq n GLY 136 Ca 0.15 -0.70 -0.22 0.00 0.00 0.00 0.00 46.02 45.24 1shq n GLY 136 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1shq s ARG 137 N -4.18 1.47 0.50 1.61 0.52 -0.46 -4.87 118.95 113.54 1shq s ARG 137 Ca 0.00 -1.60 -0.14 0.00 -0.52 0.00 0.00 55.73 53.47 1shq s ARG 137 Cb 0.00 -1.51 -0.07 0.00 0.52 0.00 0.00 34.95 33.89 1shq s ARG 137 CO 0.00 0.29 0.93 -1.12 0.02 0.00 0.00 175.30 175.42 1shq s SER 138 N -3.13 6.52 0.03 0.23 0.01 -0.96 -3.75 113.70 112.65 1shq s SER 138 Ca 0.23 1.40 -0.00 0.00 1.31 0.00 0.00 55.95 58.89 1shq s SER 138 Cb -0.05 -2.44 -0.03 0.00 0.21 0.00 0.00 66.02 63.72 1shq s SER 138 CO 0.10 -0.58 -0.03 0.42 0.41 0.00 0.00 173.24 173.56 1shq s THR 139 N -2.65 0.17 0.26 1.44 -4.23 -1.26 -1.21 115.64 108.17 1shq s THR 139 Ca 0.56 -1.26 -0.20 0.00 -1.18 0.00 0.00 61.69 59.61 1shq s THR 139 Cb -0.10 -0.75 0.02 0.00 1.34 0.00 0.00 72.50 73.01 1shq s THR 139 CO 0.35 -0.68 0.67 -0.83 -0.54 0.00 0.00 174.62 173.59 1shq s GLY 140 N -2.02 -0.06 -0.06 3.99 0.00 -0.45 -0.66 107.32 108.06 1shq s GLY 140 Ca -0.07 -0.31 -0.07 0.00 0.00 0.00 0.00 44.72 44.28 1shq s GLY 140 CO -0.04 -0.14 0.19 0.54 0.00 0.00 0.00 173.10 173.64 1shq s VAL 141 N -3.91 0.01 -0.04 1.40 0.11 -0.73 -1.93 120.40 115.30 1shq s VAL 141 Ca 0.11 -0.07 0.01 0.00 -2.93 0.00 0.00 61.98 59.10 1shq s VAL 141 Cb -0.05 -0.29 0.02 0.00 -1.53 0.00 0.00 36.38 34.54 1shq s VAL 141 CO 0.05 -0.04 -0.03 -0.69 -3.33 0.00 0.00 175.10 171.07 1shq s VAL 142 N -0.05 0.38 0.10 2.04 1.01 0.75 -1.76 120.40 122.86 1shq s VAL 142 Ca -0.01 -0.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.83 1shq s VAL 142 Cb -0.02 -0.43 0.01 0.00 0.00 0.00 0.00 36.38 35.93 1shq s VAL 142 CO 0.00 0.19 0.24 0.28 0.00 0.00 0.00 175.10 175.82 1shq s THR 143 N 0.94 0.12 -1.95 3.92 -1.32 0.08 -0.88 115.64 116.55 1shq s THR 143 Ca -0.11 -1.05 0.28 0.00 -1.21 0.00 0.00 61.69 59.60 1shq s THR 143 Cb -0.14 -1.33 0.42 0.00 -1.51 0.00 0.00 72.50 69.94 1shq s THR 143 CO -0.01 -0.55 1.72 -1.54 -2.21 0.00 0.00 174.62 172.03 1shq n SER 144 N -0.11 0.97 -3.15 8.08 3.41 -1.04 -3.90 113.62 117.89 1shq n SER 144 Ca -0.15 -0.99 -0.08 0.00 -0.26 0.00 0.00 58.87 57.39 1shq n SER 144 Cb 0.63 0.04 0.02 0.00 -0.26 0.00 0.00 64.21 64.64 1shq n SER 144 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1shq n THR 145 N -0.51 0.00 -1.94 6.66 -2.24 -1.26 -1.30 114.28 113.69 1shq n THR 145 Ca 0.15 -0.77 -0.40 0.00 -2.27 0.00 0.00 64.05 60.76 1shq n THR 145 Cb 0.32 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 67.78 1shq n THR 145 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1shq s ARG 146 N -3.02 3.89 0.00 -0.78 0.52 -1.26 -0.71 118.95 117.58 1shq s ARG 146 Ca 0.23 2.29 0.14 0.00 -0.52 0.00 0.00 55.73 57.87 1shq s ARG 146 Cb -0.02 -2.75 0.61 0.00 0.52 0.00 0.00 34.95 33.32 1shq s ARG 146 CO 0.15 -0.60 1.45 1.33 0.02 0.00 0.00 175.30 177.64 1shq n VAL 147 N 0.06 1.00 0.93 3.52 0.24 -0.22 -1.22 118.33 122.63 1shq n VAL 147 Ca 0.04 0.25 0.12 0.00 -2.04 0.00 0.00 64.34 62.71 1shq n VAL 147 Cb 0.42 -1.00 0.17 0.00 -1.47 0.00 0.00 33.84 31.96 1shq n VAL 147 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1shq n THR 148 N -1.49 0.10 -1.12 3.34 -2.24 -1.26 -4.31 114.28 107.31 1shq n THR 148 Ca 0.04 -0.52 -0.29 0.00 -2.27 0.00 0.00 64.05 61.01 1shq n THR 148 Cb 0.16 1.27 0.21 0.00 -2.10 0.00 0.00 70.33 69.88 1shq n THR 148 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1shq s HIS 149 N -1.90 1.23 0.20 4.78 2.46 -0.36 -4.70 115.29 117.00 1shq s HIS 149 Ca 0.31 0.72 -0.11 0.00 0.47 0.00 0.00 55.06 56.45 1shq s HIS 149 Cb 0.21 -3.37 0.20 0.00 -0.13 0.00 0.00 32.58 29.49 1shq s HIS 149 CO 0.31 -3.45 1.79 0.00 -2.47 0.00 0.00 174.74 170.91 1shq h ALA 150 N -2.29 0.78 0.65 1.58 0.00 -1.88 -0.76 119.26 117.34 1shq h ALA 150 Ca -0.50 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1shq h ALA 150 Cb 1.31 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.03 1shq h ALA 150 CO 0.45 -0.03 -0.31 1.15 0.00 0.00 0.00 179.25 180.51 1shq h THR 151 N 0.58 0.20 -0.59 0.00 2.02 -1.92 -0.44 112.91 112.76 1shq h THR 151 Ca 0.27 -0.28 0.02 0.00 0.77 0.00 0.00 66.41 67.18 1shq h THR 151 Cb 0.18 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 66.82 1shq h THR 151 CO -0.18 0.02 0.39 1.55 0.37 0.00 0.00 175.52 177.67 1shq h PRO 152 N -1.11 0.73 -0.04 6.66 0.13 -1.83 -2.01 132.00 134.53 1shq h PRO 152 Ca -0.09 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 65.01 1shq h PRO 152 Cb 0.71 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 31.67 1shq h PRO 152 CO 0.15 0.48 0.03 0.00 -0.23 0.00 0.00 178.00 178.43 1shq h ALA 153 N 1.65 1.99 -0.02 -0.56 0.00 -0.72 -1.20 119.26 120.39 1shq h ALA 153 Ca 0.22 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1shq h ALA 153 Cb -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1shq h ALA 153 CO -0.05 -0.05 0.03 0.78 0.00 0.00 0.00 179.25 179.96 1shq h GLY 154 N 0.00 0.00 1.75 0.00 0.00 -0.30 0.32 103.07 104.84 1shq h GLY 154 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1shq h GLY 154 CO -0.00 0.00 -0.15 -1.30 0.00 0.00 0.00 176.54 175.09 1shq n THR 155 N -3.50 0.23 0.00 4.70 -2.24 -0.45 -4.60 114.28 108.42 1shq n THR 155 Ca -0.02 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1shq n THR 155 Cb 0.11 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 1shq n THR 155 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1shq n TYR 156 N -1.81 0.00 -3.64 4.78 0.18 -0.42 -4.51 117.16 111.73 1shq n TYR 156 Ca 0.06 0.00 -0.22 0.00 1.88 0.00 0.00 57.90 59.62 1shq n TYR 156 Cb 0.38 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.33 1shq n TYR 156 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1shq s ALA 157 N -0.13 3.90 -0.32 -3.48 0.00 0.10 -4.34 121.76 117.48 1shq s ALA 157 Ca 0.00 -1.16 -0.02 0.00 0.00 0.00 0.00 51.96 50.78 1shq s ALA 157 Cb 0.00 -1.86 0.11 0.00 0.00 0.00 0.00 23.12 21.37 1shq s ALA 157 CO 0.00 0.07 0.15 -1.01 0.00 0.00 0.00 175.76 174.97 1shq s HIS 158 N -2.15 0.86 0.05 0.00 3.76 -1.25 -4.01 115.29 112.55 1shq s HIS 158 Ca 0.39 -1.38 0.02 0.00 -0.15 0.00 0.00 55.06 53.94 1shq s HIS 158 Cb -0.09 -1.17 -0.03 0.00 1.11 0.00 0.00 32.58 32.40 1shq s HIS 158 CO 0.32 -0.84 -0.08 0.14 -0.85 0.00 0.00 174.74 173.43 1shq s VAL 159 N 1.60 0.59 -1.47 -0.90 -7.23 -0.65 -4.90 120.40 107.44 1shq s VAL 159 Ca 0.12 -1.17 0.28 0.00 -1.81 0.00 0.00 61.98 59.40 1shq s VAL 159 Cb -0.19 -0.73 0.34 0.00 0.56 0.00 0.00 36.38 36.36 1shq s VAL 159 CO -0.22 -0.41 1.77 0.00 -0.31 0.00 0.00 175.10 175.93 1shq n ALA 160 N 1.32 2.85 -3.67 1.32 0.00 -1.26 -1.73 120.51 119.33 1shq n ALA 160 Ca -0.22 -0.27 -0.10 0.00 0.00 0.00 0.00 53.44 52.86 1shq n ALA 160 Cb 0.55 -1.30 -0.10 0.00 0.00 0.00 0.00 19.45 18.60 1shq n ALA 160 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1shq s ASP 161 N -2.63 -0.28 0.64 0.00 -1.08 -1.25 -0.57 116.67 111.49 1shq s ASP 161 Ca 0.24 0.92 0.36 0.00 -0.52 0.00 0.00 52.55 53.55 1shq s ASP 161 Cb 0.19 1.10 2.03 0.00 -1.46 0.00 0.00 42.92 44.78 1shq s ASP 161 CO 0.52 -0.22 2.22 0.08 0.52 0.00 0.00 175.17 178.29 1shq h ARG 162 N 7.84 0.00 0.00 4.34 0.11 -1.06 -0.61 114.38 125.00 1shq h ARG 162 Ca -0.23 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.85 1shq h ARG 162 Cb 1.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.21 1shq h ARG 162 CO 0.18 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.00 1shq n ASP 163 N -3.36 0.62 -3.23 0.08 8.00 -1.26 -4.05 116.55 113.34 1shq n ASP 163 Ca -0.02 0.73 -0.37 0.00 0.71 0.00 0.00 54.79 55.84 1shq n ASP 163 Cb 0.18 -0.83 -0.03 0.00 -0.02 0.00 0.00 41.12 40.41 1shq n ASP 163 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1shq n TRP 164 N -2.27 2.26 -0.18 1.24 8.01 -0.24 -4.56 117.44 121.71 1shq n TRP 164 Ca -0.00 -2.82 -0.08 0.00 -1.31 0.00 0.00 57.50 53.30 1shq n TRP 164 Cb 0.11 -2.12 0.07 0.00 -2.01 0.00 0.00 31.31 27.36 1shq n TRP 164 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.69 177.61 1shq h GLU 165 N 4.59 0.98 -4.75 -0.99 5.08 -1.86 -1.12 114.58 116.52 1shq h GLU 165 Ca 0.74 -0.31 -0.36 0.00 -1.00 0.00 0.00 59.36 58.44 1shq h GLU 165 Cb 0.40 -0.09 -0.14 0.00 0.50 0.00 0.00 28.75 29.42 1shq h GLU 165 CO 1.51 0.98 -0.56 0.54 -1.00 0.00 0.00 179.01 180.48 1shq s ASN 166 N -6.61 0.92 0.40 1.42 2.20 -1.26 -1.51 114.94 110.49 1shq s ASN 166 Ca -0.11 -1.57 0.16 0.00 -0.94 0.00 0.00 52.86 50.40 1shq s ASN 166 Cb 0.14 0.47 0.83 0.00 -2.00 0.00 0.00 41.25 40.68 1shq s ASN 166 CO 0.84 -0.95 1.85 -2.24 -2.94 0.00 0.00 177.10 173.66 1shq h ASP 167 N 2.38 0.00 0.03 3.54 2.03 -1.88 -0.57 116.42 121.95 1shq h ASP 167 Ca -0.31 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 55.99 1shq h ASP 167 Cb 1.24 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.74 1shq h ASP 167 CO 0.45 0.33 -0.03 0.77 -1.03 0.00 0.00 179.24 179.73 1shq h SER 168 N 0.00 0.00 0.40 4.15 4.64 -1.94 -1.88 113.55 118.92 1shq h SER 168 Ca -0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.08 1shq h SER 168 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1shq h SER 168 CO 0.04 0.03 -1.00 0.44 -0.87 0.00 0.00 176.83 175.47 1shq h ASP 169 N 0.00 0.50 -0.44 4.97 3.32 -1.41 -1.81 116.42 121.56 1shq h ASP 169 Ca -0.00 -0.43 -0.04 0.00 0.02 0.00 0.00 57.03 56.58 1shq h ASP 169 Cb 0.06 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1shq h ASP 169 CO 0.00 1.24 0.12 0.58 -1.72 0.00 0.00 179.24 179.47 1shq h VAL 170 N 0.19 1.23 -0.41 -1.35 2.07 -1.32 -2.85 116.25 113.81 1shq h VAL 170 Ca -0.09 -0.78 -0.06 0.00 0.82 0.00 0.00 66.70 66.59 1shq h VAL 170 Cb 1.65 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.31 1shq h VAL 170 CO 0.17 0.28 -0.01 0.58 0.02 0.00 0.00 177.57 178.61 1shq h VAL 171 N 0.57 1.22 0.00 2.57 2.07 -1.33 -1.10 116.25 120.26 1shq h VAL 171 Ca 0.14 -0.92 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 1shq h VAL 171 Cb 0.30 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1shq h VAL 171 CO -0.00 0.32 -0.08 -0.74 0.02 0.00 0.00 177.57 177.09 1shq h HIS 172 N 0.62 0.00 -0.57 1.57 6.17 -1.10 -1.70 115.15 120.15 1shq h HIS 172 Ca 0.13 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.21 1shq h HIS 172 Cb 0.41 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.34 1shq h HIS 172 CO 0.02 0.08 0.00 -0.25 0.71 0.00 0.00 177.93 178.49 1shq n ASP 173 N -3.64 4.94 -2.14 3.26 8.00 -0.46 -4.94 116.55 121.57 1shq n ASP 173 Ca -0.02 -2.65 -0.20 0.00 0.71 0.00 0.00 54.79 52.64 1shq n ASP 173 Cb 0.20 -0.62 -0.02 0.00 -0.02 0.00 0.00 41.12 40.66 1shq n ASP 173 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1shq n ARG 174 N 0.80 -1.54 -3.57 -1.24 5.12 -0.64 -4.99 116.66 110.59 1shq n ARG 174 Ca 0.25 0.99 -0.20 0.00 -1.93 0.00 0.00 57.85 56.96 1shq n ARG 174 Cb 0.99 -5.55 -0.02 0.00 -1.16 0.00 0.00 32.46 26.73 1shq n ARG 174 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1shq s GLU 175 N -4.79 2.88 -0.59 5.56 0.41 -0.94 -5.03 118.70 116.21 1shq s GLU 175 Ca 0.00 -1.19 -0.22 0.00 -0.41 0.00 0.00 54.97 53.15 1shq s GLU 175 Cb 0.00 -2.64 0.06 0.00 -1.78 0.00 0.00 34.13 29.77 1shq s GLU 175 CO 0.00 0.02 0.86 0.34 -0.49 0.00 0.00 175.26 176.00 1shq s ASP 176 N -4.12 6.23 0.22 -0.19 2.15 -1.26 -4.24 116.67 115.47 1shq s ASP 176 Ca 0.45 -0.83 0.17 0.00 0.43 0.00 0.00 52.55 52.77 1shq s ASP 176 Cb -0.08 -2.39 0.86 0.00 -0.30 0.00 0.00 42.92 41.02 1shq s ASP 176 CO 0.29 -1.24 1.53 -2.65 -0.17 0.00 0.00 175.17 172.93 1shq n PRO 177 N 7.19 0.11 0.08 4.34 -0.02 -1.26 0.46 135.00 145.91 1shq n PRO 177 Ca -0.03 0.53 -0.10 0.00 -2.02 0.00 0.00 63.50 61.88 1shq n PRO 177 Cb 0.46 -1.82 -0.08 0.00 -0.02 0.00 0.00 33.50 32.04 1shq n PRO 177 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1shq h GLU 178 N 0.00 0.15 0.00 -0.52 5.08 -2.00 -3.33 114.58 113.96 1shq h GLU 178 Ca 0.00 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1shq h GLU 178 Cb 0.10 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1shq h GLU 178 CO 0.00 1.04 -0.36 0.44 -1.00 0.00 0.00 179.01 179.13 1shq n ILE 179 N -3.52 0.00 -3.32 3.13 -5.35 -0.44 -4.88 119.36 104.98 1shq n ILE 179 Ca -0.04 -0.34 -0.46 0.00 -0.27 0.00 0.00 62.75 61.64 1shq n ILE 179 Cb 0.92 0.94 -0.04 0.00 -1.74 0.00 0.00 39.64 39.72 1shq n ILE 179 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1shq s ASP 181 N 3.07 6.78 0.95 0.00 1.01 -1.26 -4.61 116.67 122.61 1shq s ASP 181 Ca 0.08 2.19 -0.13 0.00 0.71 0.00 0.00 52.55 55.40 1shq s ASP 181 Cb -0.23 -2.56 0.16 0.00 1.01 0.00 0.00 42.92 41.31 1shq s ASP 181 CO -0.01 -0.78 1.15 1.51 0.21 0.00 0.00 175.17 177.25 1shq s ASP 182 N 2.17 3.14 0.13 0.27 -4.77 -1.26 -4.85 116.67 111.50 1shq s ASP 182 Ca 0.67 0.88 -0.14 0.00 -3.30 0.00 0.00 52.55 50.65 1shq s ASP 182 Cb -0.33 -1.37 -0.01 0.00 -1.09 0.00 0.00 42.92 40.11 1shq s ASP 182 CO 0.27 -2.77 1.58 0.40 0.70 0.00 0.00 175.17 175.35 1shq h ILE 183 N -1.65 1.26 -0.49 2.11 2.04 -1.13 -1.28 117.51 118.36 1shq h ILE 183 Ca -0.50 -1.00 0.03 0.00 1.00 0.00 0.00 64.86 64.39 1shq h ILE 183 Cb 1.32 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 38.45 1shq h ILE 183 CO 0.57 0.34 0.27 0.00 0.00 0.00 0.00 178.15 179.33 1shq h ALA 184 N 0.90 0.63 -0.42 1.87 0.00 -1.54 -1.35 119.26 119.35 1shq h ALA 184 Ca 0.12 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1shq h ALA 184 Cb 0.47 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1shq h ALA 184 CO 0.02 -0.05 0.14 0.93 0.00 0.00 0.00 179.25 180.29 1shq h GLU 185 N 0.54 0.30 -0.65 0.00 5.08 -1.77 -2.53 114.58 115.55 1shq h GLU 185 Ca 0.21 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1shq h GLU 185 Cb 0.07 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1shq h GLU 185 CO -0.12 0.20 0.43 1.96 -1.00 0.00 0.00 179.01 180.48 1shq h GLN 186 N 0.31 0.85 -0.50 2.33 4.20 -0.36 0.14 115.11 122.07 1shq h GLN 186 Ca 0.20 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.79 1shq h GLN 186 Cb 0.19 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 1shq h GLN 186 CO -0.20 0.56 0.05 1.25 -0.67 0.00 0.00 178.83 179.82 1shq h LEU 187 N 0.87 0.76 0.08 1.46 5.85 -0.85 -2.42 115.31 121.07 1shq h LEU 187 Ca 0.24 -0.16 -0.36 0.00 0.84 0.00 0.00 57.88 58.43 1shq h LEU 187 Cb -0.09 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.71 1shq h LEU 187 CO -0.05 0.80 -2.09 0.52 -0.34 0.00 0.00 178.44 177.27 1shq n VAL 188 N -4.24 1.68 0.34 1.05 0.31 -0.88 -1.86 118.33 114.73 1shq n VAL 188 Ca 0.03 -0.66 0.11 0.00 -0.01 0.00 0.00 64.34 63.80 1shq n VAL 188 Cb 0.27 -1.52 -0.14 0.00 -0.91 0.00 0.00 33.84 31.54 1shq n VAL 188 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1shq n PHE 189 N -3.34 0.04 -4.45 3.52 3.72 0.45 -4.44 117.46 112.96 1shq n PHE 189 Ca -0.33 0.01 -0.23 0.00 -0.05 0.00 0.00 57.45 56.85 1shq n PHE 189 Cb 1.04 -0.36 -0.10 0.00 -0.94 0.00 0.00 39.48 39.12 1shq n PHE 189 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1shq s ARG 190 N -3.34 1.60 0.44 -1.08 0.52 -0.91 -4.93 118.95 111.25 1shq s ARG 190 Ca -0.02 -1.76 -0.14 0.00 -0.52 0.00 0.00 55.73 53.28 1shq s ARG 190 Cb 0.15 -1.50 -0.08 0.00 0.52 0.00 0.00 34.95 34.04 1shq s ARG 190 CO 0.89 0.21 0.86 -1.83 0.02 0.00 0.00 175.30 175.45 1shq s GLU 191 N -3.60 3.92 0.00 3.54 4.04 -1.26 -1.56 118.70 123.78 1shq s GLU 191 Ca 0.29 0.74 0.28 0.00 0.04 0.00 0.00 54.97 56.32 1shq s GLU 191 Cb -0.01 -2.28 1.00 0.00 0.02 0.00 0.00 34.13 32.86 1shq s GLU 191 CO 0.13 -0.10 1.73 -0.35 -1.84 0.00 0.00 175.26 174.83 1shq n PRO 192 N -1.21 0.31 -0.27 -4.83 -0.04 -1.26 -4.89 135.00 122.80 1shq n PRO 192 Ca 0.05 -0.12 0.03 0.00 -0.04 0.00 0.00 63.50 63.42 1shq n PRO 192 Cb 0.54 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.66 1shq n PRO 192 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1shq h GLY 193 N 4.98 1.20 2.00 0.55 0.00 -1.72 -1.90 103.07 108.19 1shq h GLY 193 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1shq h GLY 193 CO 0.00 0.08 0.00 0.58 0.00 0.00 0.00 176.54 177.20 1shq n LYS 194 N -4.81 0.16 0.00 4.80 2.85 -0.60 -1.55 118.16 119.01 1shq n LYS 194 Ca 0.13 0.54 0.11 0.00 -1.05 0.00 0.00 58.31 58.04 1shq n LYS 194 Cb 0.29 -1.91 0.04 0.00 -0.65 0.00 0.00 35.03 32.80 1shq n LYS 194 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1shq n ASN 195 N -2.23 2.37 -4.75 -5.58 5.03 -0.72 -4.99 115.26 104.39 1shq n ASN 195 Ca 0.00 -1.68 -0.41 0.00 0.87 0.00 0.00 54.58 53.35 1shq n ASN 195 Cb 0.12 0.27 -0.01 0.00 -1.02 0.00 0.00 39.78 39.14 1shq n ASN 195 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1shq s PHE 196 N -2.18 2.73 0.17 3.10 0.40 -0.59 -4.73 117.98 116.88 1shq s PHE 196 Ca 0.21 0.77 0.01 0.00 -0.60 0.00 0.00 56.93 57.33 1shq s PHE 196 Cb 0.18 -4.08 0.01 0.00 0.51 0.00 0.00 43.02 39.64 1shq s PHE 196 CO 0.43 -3.64 1.39 0.87 0.70 0.00 0.00 175.22 174.97 1shq h LYS 197 N 4.81 0.26 -4.12 0.44 1.79 -1.20 -3.46 116.57 115.08 1shq h LYS 197 Ca -0.47 -0.26 -0.43 0.00 -2.18 0.00 0.00 60.65 57.31 1shq h LYS 197 Cb 1.22 0.07 -0.34 0.00 -1.58 0.00 0.00 32.23 31.60 1shq h LYS 197 CO 0.79 0.96 -0.78 0.08 -1.08 0.00 0.00 179.45 179.42 1shq s VAL 198 N -3.32 0.64 -0.16 0.50 1.01 -1.23 -0.19 120.40 117.64 1shq s VAL 198 Ca -0.04 -0.19 -0.03 0.00 0.00 0.00 0.00 61.98 61.72 1shq s VAL 198 Cb 0.10 -0.64 0.05 0.00 0.00 0.00 0.00 36.38 35.90 1shq s VAL 198 CO 0.83 0.25 0.05 -0.63 0.00 0.00 0.00 175.10 175.60 1shq s ILE 199 N 0.85 0.29 -0.00 2.22 1.01 0.25 -1.77 121.20 124.04 1shq s ILE 199 Ca -0.12 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.24 1shq s ILE 199 Cb -0.15 -0.79 -0.01 0.00 0.01 0.00 0.00 42.46 41.53 1shq s ILE 199 CO 0.01 -0.15 -0.06 -0.04 0.00 0.00 0.00 174.94 174.70 1shq s MET 200 N 1.97 0.49 0.00 2.79 -1.94 -0.72 -0.00 119.30 121.89 1shq s MET 200 Ca 0.01 -0.26 0.00 0.00 -1.71 0.00 0.00 55.69 53.73 1shq s MET 200 Cb -0.16 -0.46 0.00 0.00 2.01 0.00 0.00 34.83 36.22 1shq s MET 200 CO -0.08 0.13 0.00 0.41 -0.01 0.00 0.00 175.02 175.47 1shq n GLY 201 N 2.83 -0.37 0.00 -0.03 0.00 -0.59 -0.74 105.19 106.28 1shq n GLY 201 Ca -0.14 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1shq n GLY 201 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1shq n GLY 202 N 0.00 3.43 0.87 -0.02 0.00 0.11 -0.88 105.19 108.69 1shq n GLY 202 Ca 0.00 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.94 1shq n GLY 202 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1shq n GLY 203 N 5.00 1.23 0.35 -0.02 0.00 -0.23 -1.06 105.19 110.46 1shq n GLY 203 Ca 0.00 -0.40 0.14 0.00 0.00 0.00 0.00 46.02 45.77 1shq n GLY 203 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1shq h ARG 204 N 0.00 0.69 -1.51 1.61 3.08 -0.84 -2.06 114.38 115.34 1shq h ARG 204 Ca 0.00 -0.04 0.45 0.00 0.07 0.00 0.00 59.98 60.46 1shq h ARG 204 Cb 0.38 -0.16 -0.08 0.00 0.08 0.00 0.00 29.97 30.20 1shq h ARG 204 CO 0.00 0.46 1.07 0.07 -1.07 0.00 0.00 179.97 180.49 1shq h ARG 205 N 0.71 0.04 -0.00 0.04 0.11 -1.55 0.17 114.38 113.90 1shq h ARG 205 Ca 0.60 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.67 1shq h ARG 205 Cb 1.00 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.07 1shq h ARG 205 CO -0.40 0.03 -0.03 0.41 0.10 0.00 0.00 179.97 180.07 1shq n GLY 206 N -1.76 -0.88 0.17 0.08 0.00 -0.77 -1.61 105.19 100.41 1shq n GLY 206 Ca 0.35 -0.25 0.03 0.00 0.00 0.00 0.00 46.02 46.16 1shq n GLY 206 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1shq n PHE 207 N -0.86 0.00 -4.00 1.61 3.01 0.05 -4.82 117.46 112.46 1shq n PHE 207 Ca 0.19 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.57 1shq n PHE 207 Cb 0.22 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.59 1shq n PHE 207 CO 0.00 0.00 0.00 -0.59 1.01 0.00 0.00 176.76 177.18 1shq s PHE 208 N -0.92 0.34 0.82 1.38 -0.71 -1.24 -1.25 117.98 116.40 1shq s PHE 208 Ca 0.06 -0.76 -0.12 0.00 -1.04 0.00 0.00 56.93 55.07 1shq s PHE 208 Cb 0.05 -0.24 0.09 0.00 -1.21 0.00 0.00 43.02 41.70 1shq s PHE 208 CO 0.14 -0.37 1.14 -1.25 -1.34 0.00 0.00 175.22 173.55 1shq s PRO 209 N -3.15 1.87 0.56 1.99 0.05 -1.24 -2.46 135.00 132.62 1shq s PRO 209 Ca -0.00 0.28 0.26 0.00 0.05 0.00 0.00 61.00 61.59 1shq s PRO 209 Cb 0.02 -1.92 1.52 0.00 0.05 0.00 0.00 34.50 34.17 1shq s PRO 209 CO -0.07 -1.69 2.07 0.93 0.05 0.00 0.00 177.00 178.29 1shq h GLU 210 N -1.13 0.00 0.00 4.56 5.08 -1.08 -0.44 114.58 121.57 1shq h GLU 210 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1shq h GLU 210 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1shq h GLU 210 CO 0.64 0.00 -0.13 0.93 -1.00 0.00 0.00 179.01 179.45 1shq h GLU 211 N 0.00 0.00 -6.21 2.33 3.07 -1.86 -3.38 114.58 108.53 1shq h GLU 211 Ca 0.12 0.00 -0.49 0.00 -0.50 0.00 0.00 59.36 58.50 1shq h GLU 211 Cb 0.59 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.46 1shq h GLU 211 CO -0.00 0.00 -0.47 0.00 -1.40 0.00 0.00 179.01 177.14 1shq s ALA 212 N -3.13 3.78 0.09 3.43 0.00 -0.21 -5.01 121.76 120.71 1shq s ALA 212 Ca 0.09 -1.42 0.08 0.00 0.00 0.00 0.00 51.96 50.71 1shq s ALA 212 Cb 0.12 -1.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 1shq s ALA 212 CO 0.63 0.17 -0.18 -0.51 0.00 0.00 0.00 175.76 175.88 1shq s LEU 213 N -3.94 2.68 0.37 0.00 1.43 -1.26 -2.11 118.68 115.86 1shq s LEU 213 Ca 0.36 -0.51 -0.27 0.00 -1.03 0.00 0.00 54.13 52.68 1shq s LEU 213 Cb -0.08 -1.55 -0.09 0.00 0.03 0.00 0.00 46.19 44.50 1shq s LEU 213 CO 0.27 0.20 1.31 -0.62 0.23 0.00 0.00 176.35 177.74 1shq s ASP 214 N -1.91 6.50 0.37 2.29 2.15 0.12 -4.82 116.67 121.37 1shq s ASP 214 Ca 0.17 2.68 -0.27 0.00 0.43 0.00 0.00 52.55 55.56 1shq s ASP 214 Cb -0.11 -2.64 -0.09 0.00 -0.30 0.00 0.00 42.92 39.78 1shq s ASP 214 CO 0.09 -0.72 1.30 -0.63 -0.17 0.00 0.00 175.17 175.04 1shq s ILE 215 N -1.21 2.68 0.00 4.11 1.01 -1.26 -1.10 121.20 125.43 1shq s ILE 215 Ca 0.53 0.64 0.00 0.00 0.00 0.00 0.00 60.65 61.82 1shq s ILE 215 Cb -0.39 -3.39 0.00 0.00 0.01 0.00 0.00 42.46 38.69 1shq s ILE 215 CO 0.51 0.12 0.00 -0.62 0.00 0.00 0.00 174.94 174.95 1shq n GLU 216 N 0.41 0.00 -0.06 2.79 1.02 -1.26 -4.45 120.64 119.08 1shq n GLU 216 Ca 0.02 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.13 1shq n GLU 216 Cb 0.43 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.71 1shq n GLU 216 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1shq n ASP 217 N 3.56 0.83 -0.47 1.62 8.00 -1.24 -5.00 116.55 123.85 1shq n ASP 217 Ca 0.00 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.44 1shq n ASP 217 Cb 0.00 1.18 -0.02 0.00 -0.02 0.00 0.00 41.12 42.25 1shq n ASP 217 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1shq n GLY 218 N 1.82 0.80 3.72 0.44 0.00 -0.26 -4.91 105.19 106.80 1shq n GLY 218 Ca -0.21 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 1shq n GLY 218 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1shq s ILE 219 N -2.22 4.54 0.38 -0.61 1.01 -1.26 -4.36 121.20 118.67 1shq s ILE 219 Ca 0.00 1.89 -0.26 0.00 0.00 0.00 0.00 60.65 62.28 1shq s ILE 219 Cb 0.00 -4.21 -0.11 0.00 0.01 0.00 0.00 42.46 38.15 1shq s ILE 219 CO 0.00 0.18 1.11 -2.65 0.00 0.00 0.00 174.94 173.59 1shq n PRO 220 N 3.60 1.61 -0.74 2.79 -0.02 -1.26 -0.70 135.00 140.28 1shq n PRO 220 Ca 0.06 0.57 -0.29 0.00 -2.02 0.00 0.00 63.50 61.82 1shq n PRO 220 Cb 0.49 -2.13 0.24 0.00 -0.02 0.00 0.00 33.50 32.08 1shq n PRO 220 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1shq s GLY 221 N -0.59 1.52 -0.01 -1.23 0.00 -0.90 -4.85 107.32 101.27 1shq s GLY 221 Ca 0.60 -0.47 0.18 0.00 0.00 0.00 0.00 44.72 45.04 1shq s GLY 221 CO 0.59 0.32 0.65 1.18 0.00 0.00 0.00 173.10 175.84 1shq n GLU 222 N -4.89 0.84 -2.12 2.90 1.02 -0.63 -3.30 120.64 114.45 1shq n GLU 222 Ca 0.07 -0.06 -0.39 0.00 -0.02 0.00 0.00 57.16 56.76 1shq n GLU 222 Cb 0.57 -1.39 -0.01 0.00 -0.02 0.00 0.00 31.44 30.59 1shq n GLU 222 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1shq s ARG 223 N -2.92 3.95 0.00 3.49 0.52 -1.03 -4.29 118.95 118.67 1shq s ARG 223 Ca 0.02 2.06 0.02 0.00 -0.52 0.00 0.00 55.73 57.31 1shq s ARG 223 Cb 0.13 -2.71 0.04 0.00 0.52 0.00 0.00 34.95 32.94 1shq s ARG 223 CO 0.76 -0.47 0.81 0.39 0.02 0.00 0.00 175.30 176.81 1shq n GLU 224 N 0.05 1.09 -0.54 3.54 1.02 -1.26 -1.05 120.64 123.49 1shq n GLU 224 Ca 0.04 -1.12 0.08 0.00 -0.02 0.00 0.00 57.16 56.14 1shq n GLU 224 Cb 0.45 -1.05 0.29 0.00 -0.02 0.00 0.00 31.44 31.11 1shq n GLU 224 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1shq n ASP 225 N -0.06 4.32 0.00 1.62 5.75 -1.26 -4.98 116.55 121.95 1shq n ASP 225 Ca 0.02 -2.80 0.00 0.00 -0.01 0.00 0.00 54.79 52.00 1shq n ASP 225 Cb 0.17 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.72 1shq n ASP 225 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1shq n GLY 226 N 0.09 0.00 3.76 6.12 0.00 -1.26 -4.97 105.19 108.94 1shq n GLY 226 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 1shq n GLY 226 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1shq s LYS 227 N -1.86 4.65 -0.67 1.61 1.02 -1.26 -4.82 119.74 118.41 1shq s LYS 227 Ca 0.00 1.26 -0.04 0.00 0.02 0.00 0.00 55.97 57.21 1shq s LYS 227 Cb 0.00 -3.28 0.17 0.00 -0.52 0.00 0.00 37.83 34.20 1shq s LYS 227 CO 0.00 0.52 0.51 -1.01 -0.92 0.00 0.00 175.35 174.45 1shq s HIS 228 N -1.03 3.47 0.25 3.18 3.76 -1.26 -3.72 115.29 119.94 1shq s HIS 228 Ca 0.38 -2.63 0.20 0.00 -0.15 0.00 0.00 55.06 52.86 1shq s HIS 228 Cb -0.24 -3.29 0.85 0.00 1.11 0.00 0.00 32.58 31.01 1shq s HIS 228 CO 0.28 -0.86 1.82 -0.07 -0.85 0.00 0.00 174.74 175.06 1shq h LEU 229 N 7.07 0.00 -0.19 0.89 3.38 -1.56 -2.15 115.31 122.75 1shq h LEU 229 Ca 0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1shq h LEU 229 Cb 0.96 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 1shq h LEU 229 CO 0.72 0.32 -0.21 0.40 0.09 0.00 0.00 178.44 179.75 1shq h ILE 230 N 0.00 1.33 -0.27 1.22 1.08 -1.93 0.57 117.51 119.52 1shq h ILE 230 Ca -0.00 -1.39 -0.07 0.00 -0.39 0.00 0.00 64.86 63.01 1shq h ILE 230 Cb 0.74 1.79 -0.02 0.00 -3.07 0.00 0.00 36.82 36.27 1shq h ILE 230 CO 0.04 0.42 -0.12 0.71 -0.69 0.00 0.00 178.15 178.51 1shq h THR 231 N 0.16 1.22 -0.71 -0.27 1.35 -1.90 0.75 112.91 113.51 1shq h THR 231 Ca 0.03 -0.97 0.02 0.00 -0.55 0.00 0.00 66.41 64.93 1shq h THR 231 Cb 0.77 1.15 -0.04 0.00 -1.73 0.00 0.00 68.15 68.30 1shq h THR 231 CO 0.05 0.32 0.45 0.44 -0.25 0.00 0.00 175.52 176.53 1shq h ASP 232 N 0.42 0.76 -0.03 5.36 3.32 -1.16 -0.73 116.42 124.36 1shq h ASP 232 Ca 0.08 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1shq h ASP 232 Cb 0.47 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 1shq h ASP 232 CO 0.03 0.54 0.00 -0.25 -1.72 0.00 0.00 179.24 177.84 1shq h TRP 233 N 0.91 0.06 -0.40 4.55 7.01 -0.03 -1.64 115.95 126.41 1shq h TRP 233 Ca 0.27 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.32 1shq h TRP 233 Cb -0.03 -0.02 -0.05 0.00 -2.10 0.00 0.00 29.16 26.96 1shq h TRP 233 CO -0.03 0.34 0.12 -0.07 -2.79 0.00 0.00 178.44 176.01 1shq h LEU 234 N -0.23 0.10 -1.00 0.65 3.38 -0.72 -2.28 115.31 115.21 1shq h LEU 234 Ca 0.01 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.07 1shq h LEU 234 Cb 0.32 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 1shq h LEU 234 CO 0.00 0.09 0.66 0.44 0.09 0.00 0.00 178.44 179.72 1shq h ASP 235 N 0.27 1.10 -0.36 -0.43 3.32 -1.00 -1.41 116.42 117.91 1shq h ASP 235 Ca 0.19 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 1shq h ASP 235 Cb 0.19 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1shq h ASP 235 CO -0.21 0.76 0.10 -0.78 -1.72 0.00 0.00 179.24 177.39 1shq h ASP 236 N 1.28 0.53 -0.49 6.45 3.58 -0.99 0.39 116.42 127.17 1shq h ASP 236 Ca 0.40 -0.22 -0.06 0.00 0.42 0.00 0.00 57.03 57.56 1shq h ASP 236 Cb -0.02 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 40.87 1shq h ASP 236 CO -0.12 0.61 0.06 0.11 -2.88 0.00 0.00 179.24 177.02 1shq h LYS 237 N 0.43 0.83 -0.33 0.28 1.79 -1.21 -2.21 116.57 116.14 1shq h LYS 237 Ca 0.11 -0.23 -0.00 0.00 -2.18 0.00 0.00 60.65 58.35 1shq h LYS 237 Cb 0.28 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.82 1shq h LYS 237 CO -0.00 0.84 0.19 0.00 -1.08 0.00 0.00 179.45 179.40 1shq h ALA 238 N 0.96 0.42 0.00 3.86 0.00 -0.86 -1.11 119.26 122.52 1shq h ALA 238 Ca 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1shq h ALA 238 Cb 0.43 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1shq h ALA 238 CO 0.01 -0.07 0.00 0.66 0.00 0.00 0.00 179.25 179.85 1shq h SER 239 N 0.42 0.00 -0.04 0.00 4.64 -0.05 0.20 113.55 118.72 1shq h SER 239 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1shq h SER 239 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1shq h SER 239 CO -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.94 1shq n GLN 240 N -2.53 1.42 -1.06 4.77 6.02 -0.57 -4.90 117.38 120.52 1shq n GLN 240 Ca 0.00 -0.61 -0.02 0.00 -0.01 0.00 0.00 57.00 56.36 1shq n GLN 240 Cb 0.17 -1.44 -0.01 0.00 1.02 0.00 0.00 30.24 29.97 1shq n GLN 240 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1shq n GLY 241 N 1.07 0.55 3.89 1.08 0.00 0.70 -5.05 105.19 107.43 1shq n GLY 241 Ca 0.19 -0.69 -0.21 0.00 0.00 0.00 0.00 46.02 45.31 1shq n GLY 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1shq s ALA 242 N -2.04 3.86 -0.19 4.61 0.00 -0.53 -5.02 121.76 122.45 1shq s ALA 242 Ca 0.00 -1.50 -0.12 0.00 0.00 0.00 0.00 51.96 50.34 1shq s ALA 242 Cb 0.00 -1.37 -0.05 0.00 0.00 0.00 0.00 23.12 21.70 1shq s ALA 242 CO 0.00 0.09 0.21 0.95 0.00 0.00 0.00 175.76 177.01 1shq s THR 243 N -2.19 5.36 0.07 0.00 -4.23 -1.26 -4.14 115.64 109.24 1shq s THR 243 Ca 0.39 0.35 0.06 0.00 -1.18 0.00 0.00 61.69 61.31 1shq s THR 243 Cb -0.07 -3.55 -0.03 0.00 1.34 0.00 0.00 72.50 70.19 1shq s THR 243 CO 0.27 0.40 -0.17 0.00 -0.54 0.00 0.00 174.62 174.59 1shq s ALA 244 N 0.50 1.40 -0.01 3.99 0.00 -1.26 -1.04 121.76 125.34 1shq s ALA 244 Ca 0.12 -1.04 0.04 0.00 0.00 0.00 0.00 51.96 51.07 1shq s ALA 244 Cb -0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 1shq s ALA 244 CO 0.01 0.25 -0.12 0.45 0.00 0.00 0.00 175.76 176.36 1shq s SER 245 N -1.62 1.40 -0.21 0.00 0.15 -0.55 -4.98 113.70 107.89 1shq s SER 245 Ca 0.02 -0.22 -0.01 0.00 0.70 0.00 0.00 55.95 56.45 1shq s SER 245 Cb -0.09 -0.18 0.02 0.00 -1.71 0.00 0.00 66.02 64.05 1shq s SER 245 CO 0.03 0.14 -0.12 -0.47 1.20 0.00 0.00 173.24 174.02 1shq s TYR 246 N -0.23 2.93 0.15 3.44 5.04 -1.26 -1.09 117.35 126.34 1shq s TYR 246 Ca 0.04 -1.50 0.07 0.00 -2.44 0.00 0.00 57.07 53.24 1shq s TYR 246 Cb -0.05 -2.00 -0.04 0.00 0.35 0.00 0.00 41.96 40.22 1shq s TYR 246 CO -0.00 -0.73 -0.16 0.14 -1.34 0.00 0.00 175.55 173.46 1shq s VAL 247 N 1.33 1.60 0.00 3.14 -7.23 0.08 -5.00 120.40 114.32 1shq s VAL 247 Ca 0.03 -1.86 0.00 0.00 -1.81 0.00 0.00 61.98 58.34 1shq s VAL 247 Cb -0.15 -1.73 0.00 0.00 0.56 0.00 0.00 36.38 35.06 1shq s VAL 247 CO -0.08 -0.39 0.46 -2.67 -0.31 0.00 0.00 175.10 172.11 1shq n TRP 248 N 0.33 0.00 -4.13 2.82 2.14 -1.26 -1.20 117.44 116.14 1shq n TRP 248 Ca -0.14 -0.04 -0.12 0.00 2.07 0.00 0.00 57.50 59.28 1shq n TRP 248 Cb 0.57 -0.00 -0.08 0.00 -0.81 0.00 0.00 31.31 30.99 1shq n TRP 248 CO 0.00 0.00 0.00 0.54 2.07 0.00 0.00 177.69 180.30 1shq s ASN 249 N -0.07 0.24 0.06 -0.67 2.20 -1.26 -4.47 114.94 110.97 1shq s ASN 249 Ca 0.00 -1.27 -0.22 0.00 -0.94 0.00 0.00 52.86 50.43 1shq s ASN 249 Cb 0.00 0.49 -0.14 0.00 -2.00 0.00 0.00 41.25 39.60 1shq s ASN 249 CO 0.00 -1.00 1.54 -0.09 -2.94 0.00 0.00 177.10 174.61 1shq h ARG 250 N 2.42 0.14 -0.62 3.55 2.43 -1.52 -1.66 114.38 119.11 1shq h ARG 250 Ca -0.31 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 58.86 1shq h ARG 250 Cb 1.25 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.74 1shq h ARG 250 CO 0.45 0.32 0.38 -0.44 -1.51 0.00 0.00 179.97 179.16 1shq h ASP 251 N -0.07 0.61 0.01 -3.80 3.32 -1.87 -0.78 116.42 113.84 1shq h ASP 251 Ca 0.03 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 1shq h ASP 251 Cb 0.24 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1shq h ASP 251 CO 0.00 0.42 -0.19 0.44 -1.72 0.00 0.00 179.24 178.20 1shq h ASP 252 N 0.74 0.33 -0.20 6.45 3.32 -1.94 -1.48 116.42 123.64 1shq h ASP 252 Ca 0.25 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.17 1shq h ASP 252 Cb 0.04 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1shq h ASP 252 CO -0.11 0.54 -0.06 0.25 -1.72 0.00 0.00 179.24 178.14 1shq h LEU 253 N 0.31 0.39 -1.96 1.55 5.85 -0.31 -2.84 115.31 118.30 1shq h LEU 253 Ca 0.06 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.39 1shq h LEU 253 Cb 0.52 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 1shq h LEU 253 CO 0.03 0.68 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.74 1shq h LEU 254 N 0.10 0.00 -1.28 2.25 3.38 -0.84 -0.61 115.31 118.30 1shq h LEU 254 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1shq h LEU 254 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1shq h LEU 254 CO 0.02 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.56 1shq n ALA 255 N -2.09 2.50 -1.88 1.53 0.00 -0.59 -4.93 120.51 115.05 1shq n ALA 255 Ca -0.01 -0.59 -0.41 0.00 0.00 0.00 0.00 53.44 52.43 1shq n ALA 255 Cb 0.23 -1.05 -0.02 0.00 0.00 0.00 0.00 19.45 18.61 1shq n ALA 255 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1shq s VAL 256 N -1.74 2.65 -0.95 0.00 1.01 -0.24 -4.90 120.40 116.23 1shq s VAL 256 Ca 0.33 0.55 -0.24 0.00 0.00 0.00 0.00 61.98 62.61 1shq s VAL 256 Cb 0.18 -3.35 0.04 0.00 0.00 0.00 0.00 36.38 33.25 1shq s VAL 256 CO 0.26 0.08 1.46 -0.62 0.00 0.00 0.00 175.10 176.29 1shq s ASP 257 N 0.41 6.31 0.20 3.32 -1.08 -1.26 -4.88 116.67 119.68 1shq s ASP 257 Ca 0.60 -1.17 -0.11 0.00 -0.52 0.00 0.00 52.55 51.35 1shq s ASP 257 Cb -0.42 -2.57 0.20 0.00 -1.46 0.00 0.00 42.92 38.67 1shq s ASP 257 CO 0.43 -1.68 1.80 0.40 0.52 0.00 0.00 175.17 176.64 1shq h ILE 258 N 6.70 0.97 0.00 4.11 1.08 -1.91 -0.80 117.51 127.66 1shq h ILE 258 Ca 0.09 -0.21 -0.07 0.00 -0.39 0.00 0.00 64.86 64.28 1shq h ILE 258 Cb 1.02 0.29 -0.01 0.00 -3.07 0.00 0.00 36.82 35.05 1shq h ILE 258 CO 1.38 0.11 -0.32 0.03 -0.69 0.00 0.00 178.15 178.66 1shq h ARG 259 N 0.62 0.00 -0.08 2.37 -0.00 -1.95 -3.11 114.38 112.23 1shq h ARG 259 Ca 0.27 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.75 1shq h ARG 259 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.13 1shq h ARG 259 CO -0.17 0.32 0.00 0.09 0.00 0.00 0.00 179.97 180.22 1shq n ASN 260 N -4.00 2.54 -4.55 7.04 3.02 -0.98 -4.93 115.26 113.41 1shq n ASN 260 Ca -0.02 -1.75 -0.37 0.00 -0.03 0.00 0.00 54.58 52.42 1shq n ASN 260 Cb 0.38 -0.04 -0.11 0.00 -0.61 0.00 0.00 39.78 39.40 1shq n ASN 260 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1shq s THR 261 N -1.38 4.88 -0.12 3.41 2.01 -0.34 -4.67 115.64 119.43 1shq s THR 261 Ca 0.22 0.02 -0.07 0.00 0.31 0.00 0.00 61.69 62.16 1shq s THR 261 Cb 0.15 -3.29 -0.26 0.00 0.01 0.00 0.00 72.50 69.10 1shq s THR 261 CO 0.22 0.32 0.37 0.47 -0.69 0.00 0.00 174.62 175.31 1shq n ASP 262 N 4.74 2.13 -4.12 3.53 8.00 -0.21 -4.92 116.55 125.71 1shq n ASP 262 Ca -0.15 0.22 -0.24 0.00 0.71 0.00 0.00 54.79 55.33 1shq n ASP 262 Cb 0.52 -0.88 -0.16 0.00 -0.02 0.00 0.00 41.12 40.58 1shq n ASP 262 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1shq s TYR 263 N -2.55 1.51 -0.08 1.24 1.51 -0.92 -4.82 117.35 113.24 1shq s TYR 263 Ca -0.22 -0.37 -0.01 0.00 -1.01 0.00 0.00 57.07 55.46 1shq s TYR 263 Cb 0.07 -1.00 0.03 0.00 -0.11 0.00 0.00 41.96 40.94 1shq s TYR 263 CO 0.77 -0.10 -0.02 -1.17 -1.11 0.00 0.00 175.55 173.91 1shq s LEU 264 N -0.10 0.85 -0.23 -1.29 2.96 0.74 -1.48 118.68 120.13 1shq s LEU 264 Ca 0.00 -0.14 -0.01 0.00 -0.22 0.00 0.00 54.13 53.76 1shq s LEU 264 Cb -0.09 -0.54 0.02 0.00 0.50 0.00 0.00 46.19 46.09 1shq s LEU 264 CO 0.01 -0.15 -0.10 -0.32 -1.32 0.00 0.00 176.35 174.47 1shq s MET 265 N 1.72 2.89 -0.26 1.98 -2.45 -0.25 -0.58 119.30 122.35 1shq s MET 265 Ca 0.02 -0.93 0.02 0.00 -1.25 0.00 0.00 55.69 53.55 1shq s MET 265 Cb -0.13 -2.87 0.07 0.00 1.25 0.00 0.00 34.83 33.15 1shq s MET 265 CO -0.05 -0.34 -0.05 0.20 1.05 0.00 0.00 175.02 175.83 1shq s GLY 266 N 1.31 1.51 -0.32 2.11 0.00 1.00 -0.74 107.32 112.18 1shq s GLY 266 Ca 0.01 -1.70 -0.00 0.00 0.00 0.00 0.00 44.72 43.03 1shq s GLY 266 CO -0.07 0.86 0.04 1.08 0.00 0.00 0.00 173.10 175.02 1shq s LEU 267 N 1.23 4.28 0.00 0.66 1.43 -0.34 -1.54 118.68 124.39 1shq s LEU 267 Ca -0.03 -1.61 0.24 0.00 -1.03 0.00 0.00 54.13 51.70 1shq s LEU 267 Cb -0.19 -1.70 0.47 0.00 0.03 0.00 0.00 46.19 44.80 1shq s LEU 267 CO -0.07 -0.33 1.42 0.49 0.23 0.00 0.00 176.35 178.08 1shq n PHE 268 N 4.52 0.18 -3.60 0.29 3.72 -0.06 -4.28 117.46 118.24 1shq n PHE 268 Ca -0.08 -0.09 -0.16 0.00 -0.05 0.00 0.00 57.45 57.07 1shq n PHE 268 Cb 0.42 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.90 1shq n PHE 268 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1shq s SER 269 N -1.79 -0.50 0.33 4.37 0.15 -1.26 -4.92 113.70 110.09 1shq s SER 269 Ca 0.33 0.47 0.05 0.00 0.70 0.00 0.00 55.95 57.51 1shq s SER 269 Cb 0.21 0.47 0.69 0.00 -1.71 0.00 0.00 66.02 65.67 1shq s SER 269 CO 0.31 -0.57 1.88 0.22 1.20 0.00 0.00 173.24 176.27 1shq h TYR 270 N 3.24 0.93 -0.12 3.44 3.20 -1.91 -1.35 116.97 124.40 1shq h TYR 270 Ca -0.28 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.61 1shq h TYR 270 Cb 1.16 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 39.13 1shq h TYR 270 CO 0.42 0.40 0.00 -2.37 -1.64 0.00 0.00 178.16 174.97 1shq n THR 271 N -4.55 0.00 -1.69 1.81 5.66 -1.26 -1.60 114.28 112.65 1shq n THR 271 Ca 0.16 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.82 1shq n THR 271 Cb 0.36 0.00 0.06 0.00 -1.55 0.00 0.00 70.33 69.20 1shq n THR 271 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1shq s HIS 272 N 3.22 2.33 0.62 1.09 3.76 -1.26 -1.06 115.29 123.99 1shq s HIS 272 Ca 0.00 1.57 -0.18 0.00 -0.15 0.00 0.00 55.06 56.30 1shq s HIS 272 Cb 0.00 -3.37 -0.02 0.00 1.11 0.00 0.00 32.58 30.30 1shq s HIS 272 CO 0.00 -2.19 1.19 -0.51 -0.85 0.00 0.00 174.74 172.38 1shq s LEU 273 N -4.79 3.57 0.61 0.89 1.43 -0.42 -4.86 118.68 115.11 1shq s LEU 273 Ca 0.72 2.31 -0.19 0.00 -1.03 0.00 0.00 54.13 55.94 1shq s LEU 273 Cb -0.26 -4.59 -0.03 0.00 0.03 0.00 0.00 46.19 41.34 1shq s LEU 273 CO 0.41 -1.70 1.29 0.47 0.23 0.00 0.00 176.35 177.05 1shq n ASP 274 N -1.90 2.15 -4.76 2.29 8.00 -1.26 -4.94 116.55 116.13 1shq n ASP 274 Ca 0.13 0.87 -0.33 0.00 0.71 0.00 0.00 54.79 56.18 1shq n ASP 274 Cb 0.50 -1.55 0.07 0.00 -0.02 0.00 0.00 41.12 40.12 1shq n ASP 274 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1shq s THR 275 N -1.36 3.06 0.25 -3.53 -4.23 -1.26 -4.64 115.64 103.93 1shq s THR 275 Ca 0.79 0.46 -0.07 0.00 -1.18 0.00 0.00 61.69 61.69 1shq s THR 275 Cb -0.40 -2.96 0.31 0.00 1.34 0.00 0.00 72.50 70.79 1shq s THR 275 CO 0.44 -0.34 1.62 0.58 -0.54 0.00 0.00 174.62 176.38 1shq h VAL 276 N -0.32 0.27 -0.00 2.29 2.07 -1.91 0.62 116.25 119.26 1shq h VAL 276 Ca -0.46 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1shq h VAL 276 Cb 1.25 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1shq h VAL 276 CO 0.52 0.01 -0.02 0.18 0.02 0.00 0.00 177.57 178.28 1shq n LEU 277 N -5.40 0.04 -0.00 2.57 4.77 -1.26 -3.60 117.00 114.11 1shq n LEU 277 Ca 0.14 0.37 0.03 0.00 -0.03 0.00 0.00 56.01 56.52 1shq n LEU 277 Cb 0.49 -0.39 -0.04 0.00 -2.33 0.00 0.00 43.42 41.15 1shq n LEU 277 CO 0.02 0.01 -0.25 0.35 -1.33 0.00 0.00 177.39 176.19 1shq n THR 278 N -1.38 0.00 -2.29 -5.08 -2.24 -0.72 -5.07 114.28 97.49 1shq n THR 278 Ca 0.10 -0.27 -0.35 0.00 -2.27 0.00 0.00 64.05 61.27 1shq n THR 278 Cb 0.30 0.73 -0.00 0.00 -2.10 0.00 0.00 70.33 69.25 1shq n THR 278 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1shq s ARG 279 N -1.94 3.43 -0.48 -0.78 1.70 0.13 -4.89 118.95 116.12 1shq s ARG 279 Ca 0.00 1.60 -0.28 0.00 -0.47 0.00 0.00 55.73 56.58 1shq s ARG 279 Cb 0.04 -2.04 0.03 0.00 -0.57 0.00 0.00 34.95 32.41 1shq s ARG 279 CO 0.26 -0.78 1.09 0.34 -1.08 0.00 0.00 175.30 175.13 1shq s ASP 280 N -1.76 6.60 0.62 -2.89 -1.08 -1.26 -4.89 116.67 112.01 1shq s ASP 280 Ca 0.72 0.38 0.40 0.00 -0.52 0.00 0.00 52.55 53.52 1shq s ASP 280 Cb -0.23 -2.53 2.06 0.00 -1.46 0.00 0.00 42.92 40.76 1shq s ASP 280 CO 0.27 -1.21 2.25 0.00 0.52 0.00 0.00 175.17 176.99 1shq h ALA 281 N 9.21 1.05 0.13 3.66 0.00 -1.93 -0.31 119.26 131.06 1shq h ALA 281 Ca -0.23 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.39 1shq h ALA 281 Cb 1.06 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.86 1shq h ALA 281 CO 1.11 0.01 -1.24 0.93 0.00 0.00 0.00 179.25 180.05 1shq h GLU 282 N 0.00 0.35 0.00 0.00 5.08 -2.03 -3.38 114.58 114.60 1shq h GLU 282 Ca -0.00 -0.55 -0.26 0.00 -1.00 0.00 0.00 59.36 57.54 1shq h GLU 282 Cb 0.16 0.20 -0.05 0.00 0.50 0.00 0.00 28.75 29.56 1shq h GLU 282 CO 0.00 1.25 -1.74 -1.33 -1.00 0.00 0.00 179.01 176.19 1shq n MET 283 N -3.60 0.64 -4.19 2.33 2.81 -0.68 -4.41 117.12 110.01 1shq n MET 283 Ca -0.10 0.22 -0.34 0.00 -1.81 0.00 0.00 57.70 55.67 1shq n MET 283 Cb 1.01 -1.75 -0.13 0.00 -0.71 0.00 0.00 33.22 31.65 1shq n MET 283 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1shq s ASP 284 N -5.87 4.71 0.56 7.83 1.01 -0.21 -1.62 116.67 123.07 1shq s ASP 284 Ca -0.05 -0.21 -0.18 0.00 0.71 0.00 0.00 52.55 52.82 1shq s ASP 284 Cb 0.08 -1.79 -0.05 0.00 1.01 0.00 0.00 42.92 42.17 1shq s ASP 284 CO 0.82 0.09 1.11 -2.16 0.21 0.00 0.00 175.17 175.25 1shq s PRO 285 N 0.83 3.30 0.65 8.23 0.04 -1.26 -4.68 135.00 142.11 1shq s PRO 285 Ca -0.00 1.51 -0.03 0.00 0.04 0.00 0.00 61.00 62.51 1shq s PRO 285 Cb -0.14 -2.01 0.06 0.00 0.04 0.00 0.00 34.50 32.45 1shq s PRO 285 CO 0.02 -0.87 0.93 0.95 0.04 0.00 0.00 177.00 178.07 1shq s THR 286 N -1.95 2.40 0.17 1.26 -4.23 -1.26 -4.86 115.64 107.17 1shq s THR 286 Ca 0.70 -0.44 -0.14 0.00 -1.18 0.00 0.00 61.69 60.63 1shq s THR 286 Cb -0.22 -2.96 0.06 0.00 1.34 0.00 0.00 72.50 70.72 1shq s THR 286 CO 0.29 0.00 1.79 0.25 -0.54 0.00 0.00 174.62 176.41 1shq h LEU 287 N -0.36 0.36 -1.48 4.79 5.85 -1.96 -0.78 115.31 121.72 1shq h LEU 287 Ca -0.43 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 1shq h LEU 287 Cb 1.30 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 1shq h LEU 287 CO 0.55 0.25 0.25 -0.65 -0.34 0.00 0.00 178.44 178.50 1shq h PRO 288 N 0.48 0.59 -0.45 5.25 0.11 -1.89 -0.65 132.00 135.45 1shq h PRO 288 Ca 0.20 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.15 1shq h PRO 288 Cb 0.09 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 1shq h PRO 288 CO -0.13 0.43 -0.12 0.93 -0.21 0.00 0.00 178.00 178.91 1shq h GLU 289 N 0.60 0.88 -0.42 1.05 5.08 -1.59 0.03 114.58 120.23 1shq h GLU 289 Ca 0.16 -0.34 -0.05 0.00 -1.00 0.00 0.00 59.36 58.13 1shq h GLU 289 Cb 0.01 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1shq h GLU 289 CO -0.03 0.99 0.06 0.52 -1.00 0.00 0.00 179.01 179.55 1shq h MET 290 N 0.71 0.69 -0.36 2.33 2.86 -0.94 -2.72 114.93 117.51 1shq h MET 290 Ca 0.11 -0.19 0.06 0.00 -2.06 0.00 0.00 59.70 57.62 1shq h MET 290 Cb 0.67 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.20 1shq h MET 290 CO 0.05 0.74 0.04 1.15 1.06 0.00 0.00 176.91 179.94 1shq h THR 291 N 0.54 0.78 0.12 2.22 2.02 -0.89 -1.44 112.91 116.27 1shq h THR 291 Ca 0.13 -0.05 0.02 0.00 0.77 0.00 0.00 66.41 67.27 1shq h THR 291 Cb 0.38 0.62 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 1shq h THR 291 CO 0.01 0.03 -0.31 0.50 0.37 0.00 0.00 175.52 176.11 1shq h LYS 292 N 0.15 -0.52 -1.01 6.66 3.64 -0.77 -0.56 116.57 124.16 1shq h LYS 292 Ca 0.17 0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.60 1shq h LYS 292 Cb 0.22 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.10 1shq h LYS 292 CO -0.25 -0.34 0.67 0.28 -2.27 0.00 0.00 179.45 177.53 1shq h VAL 293 N -0.54 1.25 -0.09 2.00 2.07 -1.38 0.60 116.25 120.16 1shq h VAL 293 Ca 0.03 -0.47 0.02 0.00 0.82 0.00 0.00 66.70 67.11 1shq h VAL 293 Cb 0.57 -0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 1shq h VAL 293 CO -0.18 0.25 -0.03 0.00 0.02 0.00 0.00 177.57 177.62 1shq h ALA 294 N 1.37 0.06 -0.48 1.67 0.00 -1.02 -0.53 119.26 120.33 1shq h ALA 294 Ca 0.37 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.28 1shq h ALA 294 Cb -0.14 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1shq h ALA 294 CO -0.09 -0.49 0.16 0.82 0.00 0.00 0.00 179.25 179.65 1shq h ILE 295 N -0.01 1.22 -0.78 0.00 2.04 -0.61 -0.61 117.51 118.76 1shq h ILE 295 Ca 0.05 -0.74 0.09 0.00 1.00 0.00 0.00 64.86 65.26 1shq h ILE 295 Cb 0.08 0.81 -0.07 0.00 -0.74 0.00 0.00 36.82 36.89 1shq h ILE 295 CO -0.10 0.27 0.43 -0.33 0.00 0.00 0.00 178.15 178.41 1shq h GLU 296 N 0.64 0.69 0.06 2.37 5.08 -0.23 0.16 114.58 123.36 1shq h GLU 296 Ca 0.16 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1shq h GLU 296 Cb 0.26 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1shq h GLU 296 CO -0.01 0.46 -0.03 0.52 -1.00 0.00 0.00 179.01 178.95 1shq h MET 297 N 0.72 -0.08 -0.19 2.33 2.86 -0.87 -3.32 114.93 116.37 1shq h MET 297 Ca 0.38 0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.95 1shq h MET 297 Cb 0.37 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 1shq h MET 297 CO -0.26 0.43 -0.19 -0.07 1.06 0.00 0.00 176.91 177.88 1shq h LEU 298 N -0.63 0.32 0.00 1.22 3.38 -0.92 -2.82 115.31 115.87 1shq h LEU 298 Ca -0.01 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1shq h LEU 298 Cb 0.54 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1shq h LEU 298 CO 0.01 0.54 0.00 0.35 0.09 0.00 0.00 178.44 179.43 1shq n THR 299 N -4.19 0.70 0.29 0.22 -2.24 0.55 -1.90 114.28 107.70 1shq n THR 299 Ca -0.00 0.17 0.19 0.00 -2.27 0.00 0.00 64.05 62.14 1shq n THR 299 Cb 0.34 -0.86 0.98 0.00 -2.10 0.00 0.00 70.33 68.69 1shq n THR 299 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1shq h LYS 300 N 0.00 0.00 -5.90 -0.78 1.57 -1.60 -3.39 116.57 106.47 1shq h LYS 300 Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 1shq h LYS 300 Cb 0.30 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.49 1shq h LYS 300 CO 0.00 0.00 0.74 0.34 -0.57 0.00 0.00 179.45 179.96 1shq s ASP 301 N -4.83 6.22 0.27 0.86 -1.08 -0.80 -4.87 116.67 112.45 1shq s ASP 301 Ca -0.04 -0.61 0.19 0.00 -0.52 0.00 0.00 52.55 51.57 1shq s ASP 301 Cb 0.11 -2.48 1.00 0.00 -1.46 0.00 0.00 42.92 40.08 1shq s ASP 301 CO 0.35 -1.53 1.59 -0.62 0.52 0.00 0.00 175.17 175.48 1shq n GLU 302 N 8.24 0.13 0.03 4.34 1.02 -1.26 -0.56 120.64 132.58 1shq n GLU 302 Ca 0.00 0.58 0.13 0.00 -0.02 0.00 0.00 57.16 57.85 1shq n GLU 302 Cb 0.47 -1.88 0.31 0.00 -0.02 0.00 0.00 31.44 30.32 1shq n GLU 302 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1shq n ASN 303 N -2.15 0.51 0.00 1.62 5.03 -1.26 -5.05 115.26 113.96 1shq n ASN 303 Ca -0.01 0.12 0.00 0.00 0.87 0.00 0.00 54.58 55.57 1shq n ASN 303 Cb 0.06 -0.05 0.00 0.00 -1.02 0.00 0.00 39.78 38.77 1shq n ASN 303 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1shq n GLY 304 N 1.42 1.72 3.34 7.41 0.00 0.27 -4.88 105.19 114.47 1shq n GLY 304 Ca 0.05 -2.21 -0.10 0.00 0.00 0.00 0.00 46.02 43.75 1shq n GLY 304 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1shq s PHE 305 N -1.55 -0.22 -0.08 1.61 -0.71 -1.20 -2.27 117.98 113.56 1shq s PHE 305 Ca 0.00 -0.09 0.04 0.00 -1.04 0.00 0.00 56.93 55.85 1shq s PHE 305 Cb 0.00 0.30 -0.01 0.00 -1.21 0.00 0.00 43.02 42.10 1shq s PHE 305 CO 0.00 -0.73 -0.22 0.12 -1.34 0.00 0.00 175.22 173.05 1shq s PHE 306 N -3.81 2.56 -0.03 3.49 5.36 -0.35 -1.21 117.98 124.00 1shq s PHE 306 Ca 0.03 -0.74 0.01 0.00 -0.96 0.00 0.00 56.93 55.27 1shq s PHE 306 Cb 0.01 -1.67 0.01 0.00 -0.34 0.00 0.00 43.02 41.03 1shq s PHE 306 CO -0.11 -0.23 -0.04 -1.17 -1.46 0.00 0.00 175.22 172.20 1shq s LEU 307 N 0.01 1.55 -0.17 6.12 2.96 -0.37 -1.34 118.68 127.43 1shq s LEU 307 Ca -0.08 -0.11 -0.07 0.00 -0.22 0.00 0.00 54.13 53.66 1shq s LEU 307 Cb -0.15 -0.37 -0.04 0.00 0.50 0.00 0.00 46.19 46.13 1shq s LEU 307 CO 0.05 -0.01 0.05 -0.22 -1.32 0.00 0.00 176.35 174.90 1shq s LEU 308 N 0.56 3.78 -0.15 -0.68 2.96 -0.81 -1.24 118.68 123.09 1shq s LEU 308 Ca -0.07 0.08 0.02 0.00 -0.22 0.00 0.00 54.13 53.94 1shq s LEU 308 Cb -0.10 -1.95 0.01 0.00 0.50 0.00 0.00 46.19 44.65 1shq s LEU 308 CO -0.00 0.19 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.32 1shq s VAL 309 N 0.25 2.02 -0.19 1.68 1.01 -0.34 -0.18 120.40 124.65 1shq s VAL 309 Ca 0.03 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 1shq s VAL 309 Cb -0.12 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.45 1shq s VAL 309 CO 0.01 0.54 -0.10 -0.70 0.00 0.00 0.00 175.10 174.85 1shq s GLU 310 N 0.95 3.31 -1.23 2.72 2.12 -0.06 -1.04 118.70 125.47 1shq s GLU 310 Ca -0.04 -0.68 -0.17 0.00 0.36 0.00 0.00 54.97 54.44 1shq s GLU 310 Cb -0.15 -2.83 0.10 0.00 0.26 0.00 0.00 34.13 31.52 1shq s GLU 310 CO -0.05 -0.08 1.59 0.20 -0.54 0.00 0.00 175.26 176.39 1shq s GLY 311 N 1.12 1.83 0.22 -1.50 0.00 0.10 -2.49 107.32 106.59 1shq s GLY 311 Ca 0.01 -2.96 0.19 0.00 0.00 0.00 0.00 44.72 41.96 1shq s GLY 311 CO -0.02 2.50 1.17 -1.33 0.00 0.00 0.00 173.10 175.42 1shq h GLY 312 N 11.69 0.00 -0.44 0.20 0.00 -1.91 -2.14 103.07 110.47 1shq h GLY 312 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1shq h GLY 312 CO 1.38 0.00 -0.09 0.54 0.00 0.00 0.00 176.54 178.37 1shq n ARG 313 N -2.94 1.49 -0.20 4.80 1.74 -1.26 -3.52 116.66 116.78 1shq n ARG 313 Ca -0.02 -0.93 -0.00 0.00 -0.77 0.00 0.00 57.85 56.13 1shq n ARG 313 Cb 0.67 -1.48 0.08 0.00 -1.02 0.00 0.00 32.46 30.71 1shq n ARG 313 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1shq h ILE 314 N 2.28 0.46 -0.19 0.55 2.04 -1.76 -1.45 117.51 119.45 1shq h ILE 314 Ca 0.00 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1shq h ILE 314 Cb 0.56 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1shq h ILE 314 CO 0.00 0.01 0.08 -0.78 0.00 0.00 0.00 178.15 177.46 1shq h ASP 315 N 0.06 0.25 -0.89 1.72 3.58 -1.08 -2.37 116.42 117.70 1shq h ASP 315 Ca 0.31 -0.16 0.01 0.00 0.42 0.00 0.00 57.03 57.61 1shq h ASP 315 Cb 0.49 -0.07 -0.05 0.00 1.72 0.00 0.00 39.33 41.42 1shq h ASP 315 CO -0.56 0.35 0.59 0.45 -2.88 0.00 0.00 179.24 177.18 1shq h HIS 316 N 0.15 1.11 -0.46 0.28 3.86 -1.67 0.09 115.15 118.50 1shq h HIS 316 Ca 0.06 0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.20 1shq h HIS 316 Cb 0.17 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 28.25 1shq h HIS 316 CO -0.01 0.69 -0.09 0.52 0.86 0.00 0.00 177.93 179.89 1shq h MET 317 N 1.19 0.88 -0.71 2.45 2.86 -1.15 -2.89 114.93 117.55 1shq h MET 317 Ca 0.33 -0.32 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 1shq h MET 317 Cb -0.11 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.46 1shq h MET 317 CO -0.08 0.97 0.34 0.45 1.06 0.00 0.00 176.91 179.64 1shq h HIS 318 N 0.72 1.02 -0.62 -0.22 -0.00 -1.06 0.38 115.15 115.36 1shq h HIS 318 Ca 0.12 -0.04 0.05 0.00 -0.00 0.00 0.00 60.37 60.49 1shq h HIS 318 Cb 0.63 -0.32 -0.04 0.00 -0.00 0.00 0.00 27.41 27.68 1shq h HIS 318 CO 0.05 0.74 0.41 0.45 -0.00 0.00 0.00 177.93 179.58 1shq h HIS 319 N 1.01 0.67 -0.29 2.45 3.86 -0.78 0.25 115.15 122.32 1shq h HIS 319 Ca 0.25 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.47 1shq h HIS 319 Cb 0.11 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.36 1shq h HIS 319 CO 0.01 0.38 0.00 0.00 0.86 0.00 0.00 177.93 179.18 1shq n ALA 320 N -2.46 2.47 -2.19 2.45 0.00 -1.00 -0.64 120.51 119.15 1shq n ALA 320 Ca 0.08 -0.65 -0.19 0.00 0.00 0.00 0.00 53.44 52.68 1shq n ALA 320 Cb 0.18 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.59 1shq n ALA 320 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1shq n ASN 321 N 0.60 -5.44 -4.03 0.00 5.03 0.89 -4.65 115.26 107.65 1shq n ASN 321 Ca 0.15 0.14 -0.43 0.00 0.87 0.00 0.00 54.58 55.31 1shq n ASN 321 Cb 0.36 -4.61 0.00 0.00 -1.02 0.00 0.00 39.78 34.51 1shq n ASN 321 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1shq n GLN 322 N -2.80 3.67 -0.08 3.52 6.02 0.13 -1.54 117.38 126.31 1shq n GLN 322 Ca -0.22 -3.76 -0.06 0.00 -0.01 0.00 0.00 57.00 52.95 1shq n GLN 322 Cb 0.66 -2.88 0.13 0.00 1.02 0.00 0.00 30.24 29.17 1shq n GLN 322 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.06 177.02 1shq h ILE 323 N 3.89 1.26 -0.42 5.09 6.09 -1.79 -1.74 117.51 129.90 1shq h ILE 323 Ca 0.35 -1.22 0.04 0.00 -1.37 0.00 0.00 64.86 62.66 1shq h ILE 323 Cb 0.69 1.13 -0.04 0.00 0.47 0.00 0.00 36.82 39.06 1shq h ILE 323 CO 1.49 0.41 0.18 -0.09 -3.07 0.00 0.00 178.15 177.07 1shq h ARG 324 N 0.66 0.36 -0.62 2.19 2.43 -1.89 -1.26 114.38 116.24 1shq h ARG 324 Ca 0.11 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.17 1shq h ARG 324 Cb 0.63 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 1shq h ARG 324 CO 0.04 0.24 0.04 1.96 -1.51 0.00 0.00 179.97 180.74 1shq h GLN 325 N 0.37 1.06 -0.82 0.20 4.20 -1.71 -2.63 115.11 115.77 1shq h GLN 325 Ca 0.19 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 1shq h GLN 325 Cb 0.13 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.76 1shq h GLN 325 CO -0.16 1.01 0.50 1.03 -0.67 0.00 0.00 178.83 180.54 1shq h SER 326 N 0.98 0.99 -0.55 1.46 0.87 -0.58 -1.62 113.55 115.09 1shq h SER 326 Ca 0.18 -0.06 -0.08 0.00 -1.23 0.00 0.00 61.79 60.60 1shq h SER 326 Cb 0.51 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.19 1shq h SER 326 CO 0.02 0.76 0.03 -0.07 -0.53 0.00 0.00 176.83 177.04 1shq h LEU 327 N 1.13 0.96 -0.83 2.23 3.38 -1.01 -2.11 115.31 119.06 1shq h LEU 327 Ca 0.30 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1shq h LEU 327 Cb -0.05 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.41 1shq h LEU 327 CO -0.06 1.00 0.27 0.00 0.09 0.00 0.00 178.44 179.74 1shq h ALA 328 N 1.10 1.06 -0.67 1.53 0.00 -1.15 -1.57 119.26 119.56 1shq h ALA 328 Ca 0.17 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1shq h ALA 328 Cb 0.49 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1shq h ALA 328 CO 0.02 0.65 0.39 0.93 0.00 0.00 0.00 179.25 181.25 1shq h GLU 329 N 1.10 0.92 -0.13 0.00 4.39 -1.07 -1.25 114.58 118.53 1shq h GLU 329 Ca 0.25 -0.09 0.01 0.00 0.34 0.00 0.00 59.36 59.87 1shq h GLU 329 Cb 0.25 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 1shq h GLU 329 CO -0.02 0.66 0.03 1.15 -1.16 0.00 0.00 179.01 179.68 1shq h THR 330 N 0.91 0.96 -0.01 1.13 2.02 -0.95 -2.31 112.91 114.66 1shq h THR 330 Ca 0.24 -0.03 -0.06 0.00 0.77 0.00 0.00 66.41 67.33 1shq h THR 330 Cb -0.01 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1shq h THR 330 CO -0.04 0.02 -0.25 -0.07 0.37 0.00 0.00 175.52 175.54 1shq h LEU 331 N 0.09 0.02 -1.37 2.58 3.38 -0.95 -0.88 115.31 118.18 1shq h LEU 331 Ca 0.06 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1shq h LEU 331 Cb 0.04 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1shq h LEU 331 CO -0.07 0.27 0.45 -0.78 0.09 0.00 0.00 178.44 178.41 1shq h ASP 332 N 0.02 0.71 0.09 -0.43 3.58 -0.69 -0.78 116.42 118.91 1shq h ASP 332 Ca 0.00 -0.01 -0.26 0.00 0.42 0.00 0.00 57.03 57.18 1shq h ASP 332 Cb 0.46 -0.16 0.02 0.00 1.72 0.00 0.00 39.33 41.36 1shq h ASP 332 CO 0.03 0.49 -1.04 -0.03 -2.88 0.00 0.00 179.24 175.81 1shq h MET 333 N 0.82 0.64 -0.75 0.28 4.05 -0.91 -2.53 114.93 116.53 1shq h MET 333 Ca 0.28 -0.70 0.08 0.00 -0.28 0.00 0.00 59.70 59.08 1shq h MET 333 Cb 0.07 0.20 -0.06 0.00 -0.80 0.00 0.00 31.60 31.01 1shq h MET 333 CO -0.08 1.29 0.42 1.49 0.23 0.00 0.00 176.91 180.26 1shq h GLU 334 N 0.35 0.72 -0.09 0.39 4.22 -0.69 -1.59 114.58 117.88 1shq h GLU 334 Ca -0.12 -0.04 -0.06 0.00 0.08 0.00 0.00 59.36 59.21 1shq h GLU 334 Cb 1.69 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.77 1shq h GLU 334 CO 0.20 0.47 -0.22 0.93 -2.18 0.00 0.00 179.01 178.21 1shq h GLU 335 N 0.74 0.16 -0.42 1.92 5.08 -1.08 -2.64 114.58 118.34 1shq h GLU 335 Ca 0.35 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.51 1shq h GLU 335 Cb 0.27 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1shq h GLU 335 CO -0.22 0.38 -0.33 0.00 -1.00 0.00 0.00 179.01 177.84 1shq h ALA 336 N 1.63 0.61 -0.83 3.43 0.00 -0.88 0.14 119.26 123.37 1shq h ALA 336 Ca 0.03 -0.44 0.04 0.00 0.00 0.00 0.00 54.91 54.54 1shq h ALA 336 Cb 0.47 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1shq h ALA 336 CO 0.03 0.68 0.53 0.28 0.00 0.00 0.00 179.25 180.77 1shq h VAL 337 N 0.80 1.10 -0.51 0.00 2.07 -1.17 -0.64 116.25 117.91 1shq h VAL 337 Ca 0.08 -0.35 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 1shq h VAL 337 Cb 0.92 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1shq h VAL 337 CO 0.09 0.18 0.02 0.28 0.02 0.00 0.00 177.57 178.16 1shq h SER 338 N 1.01 0.86 -0.31 0.57 0.02 -1.10 0.16 113.55 114.76 1shq h SER 338 Ca 0.34 -0.30 0.07 0.00 -0.84 0.00 0.00 61.79 61.06 1shq h SER 338 Cb 0.06 -0.23 -0.06 0.00 0.14 0.00 0.00 62.40 62.30 1shq h SER 338 CO -0.13 0.95 -0.11 -0.03 -1.14 0.00 0.00 176.83 176.37 1shq h MET 339 N 0.75 -0.04 -0.74 3.45 -1.53 -0.30 -1.98 114.93 114.55 1shq h MET 339 Ca 0.15 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.40 1shq h MET 339 Cb 0.50 0.01 -0.03 0.00 -0.55 0.00 0.00 31.60 31.52 1shq h MET 339 CO 0.02 -0.03 0.41 0.00 0.14 0.00 0.00 176.91 177.46 1shq h ALA 340 N 1.25 0.95 -0.82 0.39 0.00 -0.49 -2.53 119.26 118.00 1shq h ALA 340 Ca 0.16 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1shq h ALA 340 Cb 0.28 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1shq h ALA 340 CO -0.35 0.45 0.53 -0.07 0.00 0.00 0.00 179.25 179.82 1shq h LEU 341 N 1.02 0.90 0.00 0.00 3.38 -0.44 -2.65 115.31 117.52 1shq h LEU 341 Ca 0.26 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1shq h LEU 341 Cb 0.03 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1shq h LEU 341 CO -0.04 0.64 0.00 -1.54 0.09 0.00 0.00 178.44 177.58 1shq n SER 342 N -4.55 0.00 0.00 -0.43 3.41 -0.77 -3.51 113.62 107.78 1shq n SER 342 Ca 0.09 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 1shq n SER 342 Cb 0.05 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 1shq n SER 342 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1shq n MET 343 N -1.32 -0.21 -4.26 4.33 2.81 -1.02 -5.05 117.12 112.40 1shq n MET 343 Ca 0.08 -0.41 -0.14 0.00 -1.81 0.00 0.00 57.70 55.42 1shq n MET 343 Cb 0.16 -0.90 -0.10 0.00 -0.71 0.00 0.00 33.22 31.67 1shq n MET 343 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1shq s THR 344 N -0.09 0.45 -0.31 2.03 -4.23 -1.10 -5.08 115.64 107.31 1shq s THR 344 Ca 0.00 -1.99 -0.09 0.00 -1.18 0.00 0.00 61.69 58.43 1shq s THR 344 Cb 0.00 -2.41 -0.00 0.00 1.34 0.00 0.00 72.50 71.43 1shq s THR 344 CO 0.00 -0.18 0.15 -0.62 -0.54 0.00 0.00 174.62 173.43 1shq s ASP 345 N -3.22 5.53 0.08 3.99 2.15 -1.26 -4.90 116.67 119.04 1shq s ASP 345 Ca 0.33 -0.56 0.11 0.00 0.43 0.00 0.00 52.55 52.85 1shq s ASP 345 Cb 0.07 -2.00 0.50 0.00 -0.30 0.00 0.00 42.92 41.20 1shq s ASP 345 CO 0.09 -0.20 1.34 -0.81 -0.17 0.00 0.00 175.17 175.42 1shq n PRO 346 N 4.97 0.05 0.05 4.34 -0.04 -1.26 -0.30 135.00 142.80 1shq n PRO 346 Ca -0.14 0.43 0.13 0.00 -0.04 0.00 0.00 63.50 63.89 1shq n PRO 346 Cb 0.49 -1.62 0.50 0.00 -0.04 0.00 0.00 33.50 32.84 1shq n PRO 346 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1shq n GLU 347 N -1.71 0.12 0.00 0.54 -0.58 -1.26 -3.73 120.64 114.02 1shq n GLU 347 Ca 0.01 0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 1shq n GLU 347 Cb 0.09 -1.63 0.00 0.00 -0.57 0.00 0.00 31.44 29.33 1shq n GLU 347 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1shq n GLU 348 N -1.84 3.11 -4.19 3.49 0.28 0.23 -4.72 120.64 117.00 1shq n GLU 348 Ca 0.06 -0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.73 1shq n GLU 348 Cb 0.38 -0.23 -0.16 0.00 1.43 0.00 0.00 31.44 32.86 1shq n GLU 348 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1shq s THR 349 N -0.45 2.41 -0.17 3.84 2.01 0.59 -1.42 115.64 122.46 1shq s THR 349 Ca 0.00 -0.83 -0.25 0.00 0.31 0.00 0.00 61.69 60.92 1shq s THR 349 Cb 0.00 -2.03 -0.02 0.00 0.01 0.00 0.00 72.50 70.46 1shq s THR 349 CO 0.00 0.51 0.81 -0.63 -0.69 0.00 0.00 174.62 174.62 1shq s ILE 350 N 1.21 4.90 -0.24 1.82 1.01 -0.69 -4.25 121.20 124.96 1shq s ILE 350 Ca 0.02 1.59 -0.05 0.00 0.00 0.00 0.00 60.65 62.21 1shq s ILE 350 Cb -0.14 -4.12 -0.01 0.00 0.01 0.00 0.00 42.46 38.20 1shq s ILE 350 CO -0.08 0.04 0.00 -0.63 0.00 0.00 0.00 174.94 174.28 1shq s ILE 351 N 2.08 3.73 -0.09 2.92 1.01 -0.04 -1.25 121.20 129.55 1shq s ILE 351 Ca 0.38 -0.40 0.04 0.00 0.00 0.00 0.00 60.65 60.66 1shq s ILE 351 Cb -0.17 -2.73 -0.00 0.00 0.01 0.00 0.00 42.46 39.57 1shq s ILE 351 CO 0.12 0.37 -0.24 -0.22 0.00 0.00 0.00 174.94 174.98 1shq s LEU 352 N 1.53 2.11 -0.04 2.97 0.20 -0.59 -0.82 118.68 124.04 1shq s LEU 352 Ca 0.06 -0.54 0.06 0.00 0.69 0.00 0.00 54.13 54.39 1shq s LEU 352 Cb -0.15 -1.41 -0.01 0.00 -0.43 0.00 0.00 46.19 44.19 1shq s LEU 352 CO -0.01 0.17 -0.23 -0.69 -0.29 0.00 0.00 176.35 175.31 1shq s VAL 353 N 0.26 1.85 0.37 1.68 1.01 0.74 -0.24 120.40 126.06 1shq s VAL 353 Ca -0.16 -0.97 -0.10 0.00 0.00 0.00 0.00 61.98 60.74 1shq s VAL 353 Cb -0.17 -1.55 0.03 0.00 0.00 0.00 0.00 36.38 34.69 1shq s VAL 353 CO 0.08 0.52 0.66 0.28 0.00 0.00 0.00 175.10 176.64 1shq s THR 354 N -0.29 0.00 0.20 3.92 -1.32 -0.50 -0.76 115.64 116.89 1shq s THR 354 Ca 0.02 -1.24 0.11 0.00 -1.21 0.00 0.00 61.69 59.36 1shq s THR 354 Cb -0.11 -2.77 -0.04 0.00 -1.51 0.00 0.00 72.50 68.06 1shq s THR 354 CO 0.01 0.00 -0.22 0.00 -2.21 0.00 0.00 174.62 172.21 1shq s ALA 355 N -2.63 2.41 0.04 11.08 0.00 -1.23 -0.87 121.76 130.56 1shq s ALA 355 Ca 0.21 -1.64 0.06 0.00 0.00 0.00 0.00 51.96 50.59 1shq s ALA 355 Cb -0.03 -0.27 -0.24 0.00 0.00 0.00 0.00 23.12 22.58 1shq s ALA 355 CO 0.15 0.34 0.97 0.38 0.00 0.00 0.00 175.76 177.61 1shq h ASP 356 N 3.06 0.12 -5.36 0.00 2.03 -1.92 -3.48 116.42 110.86 1shq h ASP 356 Ca -0.44 -0.16 0.18 0.00 -0.73 0.00 0.00 57.03 55.88 1shq h ASP 356 Cb 1.22 -0.04 -0.07 0.00 -0.83 0.00 0.00 39.33 39.61 1shq h ASP 356 CO 0.51 1.13 0.52 -1.38 -1.03 0.00 0.00 179.24 178.99 1shq s HIS 357 N -2.65 -0.08 0.11 4.15 -3.43 -1.26 -4.86 115.29 107.26 1shq s HIS 357 Ca -0.04 -0.24 -0.00 0.00 -0.80 0.00 0.00 55.06 53.98 1shq s HIS 357 Cb 0.08 0.65 0.02 0.00 -1.43 0.00 0.00 32.58 31.91 1shq s HIS 357 CO 0.83 -0.83 0.14 0.41 -2.00 0.00 0.00 174.74 173.29 1shq n GLY 358 N -0.51 0.66 3.14 -1.38 0.00 -1.11 -2.94 105.19 103.05 1shq n GLY 358 Ca -0.06 -1.95 -0.12 0.00 0.00 0.00 0.00 46.02 43.89 1shq n GLY 358 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1shq s HIS 359 N -0.29 0.86 -0.01 1.61 3.76 -1.24 -1.53 115.29 118.46 1shq s HIS 359 Ca 0.10 -0.78 0.00 0.00 -0.15 0.00 0.00 55.06 54.23 1shq s HIS 359 Cb -0.01 -0.50 0.02 0.00 1.11 0.00 0.00 32.58 33.20 1shq s HIS 359 CO 0.06 -0.11 1.16 0.25 -0.85 0.00 0.00 174.74 175.25 1shq n THR 360 N 0.40 1.20 -2.19 1.30 -2.24 -1.26 -4.63 114.28 106.85 1shq n THR 360 Ca -0.15 -0.12 -0.41 0.00 -2.27 0.00 0.00 64.05 61.10 1shq n THR 360 Cb 0.59 -1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 67.74 1shq n THR 360 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1shq s LEU 361 N -0.09 4.45 0.06 3.22 2.96 -1.26 -0.67 118.68 127.35 1shq s LEU 361 Ca 0.02 2.57 0.02 0.00 -0.22 0.00 0.00 54.13 56.52 1shq s LEU 361 Cb 0.01 -3.64 -0.03 0.00 0.50 0.00 0.00 46.19 43.03 1shq s LEU 361 CO 0.00 -0.46 -0.07 0.42 -1.32 0.00 0.00 176.35 174.93 1shq s THR 362 N -0.97 0.54 -0.35 3.68 -4.23 0.58 -4.80 115.64 110.09 1shq s THR 362 Ca 0.49 -1.40 0.03 0.00 -1.18 0.00 0.00 61.69 59.64 1shq s THR 362 Cb -0.38 -1.00 0.10 0.00 1.34 0.00 0.00 72.50 72.57 1shq s THR 362 CO 0.49 -0.59 0.06 -0.63 -0.54 0.00 0.00 174.62 173.41 1shq s ILE 363 N -2.29 2.37 0.48 2.99 1.01 -1.26 -2.49 121.20 122.00 1shq s ILE 363 Ca -0.02 -2.33 -0.02 0.00 0.00 0.00 0.00 60.65 58.28 1shq s ILE 363 Cb -0.04 -2.74 -0.01 0.00 0.01 0.00 0.00 42.46 39.69 1shq s ILE 363 CO -0.02 -0.61 0.72 0.42 0.00 0.00 0.00 174.94 175.46 1shq s THR 364 N 0.92 4.15 0.51 2.92 -4.23 0.36 -5.02 115.64 115.24 1shq s THR 364 Ca 0.11 -0.29 0.06 0.00 -1.18 0.00 0.00 61.69 60.38 1shq s THR 364 Cb -0.19 -3.56 0.04 0.00 1.34 0.00 0.00 72.50 70.13 1shq s THR 364 CO -0.08 -0.45 0.70 -0.83 -0.54 0.00 0.00 174.62 173.42 1shq s GLY 365 N -4.20 1.86 -0.46 3.99 0.00 -1.26 -4.68 107.32 102.57 1shq s GLY 365 Ca 0.49 -1.67 0.07 0.00 0.00 0.00 0.00 44.72 43.60 1shq s GLY 365 CO 0.40 -1.38 0.56 -1.72 0.00 0.00 0.00 173.10 170.96 1shq n TYR 366 N -2.14 0.64 -2.39 1.90 4.01 -1.26 -4.75 117.16 113.18 1shq n TYR 366 Ca 0.10 -3.70 -0.36 0.00 -0.16 0.00 0.00 57.90 53.78 1shq n TYR 366 Cb 0.60 -0.35 -0.02 0.00 -0.31 0.00 0.00 39.34 39.25 1shq n TYR 366 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1shq s ALA 367 N -1.39 2.91 0.79 -0.72 0.00 -1.26 -4.99 121.76 117.11 1shq s ALA 367 Ca 0.36 0.78 -0.13 0.00 0.00 0.00 0.00 51.96 52.97 1shq s ALA 367 Cb 0.15 -3.32 0.08 0.00 0.00 0.00 0.00 23.12 20.02 1shq s ALA 367 CO -0.10 -0.50 1.16 -0.51 0.00 0.00 0.00 175.76 175.81 1shq s ASP 368 N -1.64 3.88 0.56 0.00 1.01 -1.26 -4.93 116.67 114.29 1shq s ASP 368 Ca 0.65 2.18 -0.19 0.00 0.71 0.00 0.00 52.55 55.90 1shq s ASP 368 Cb -0.23 -2.57 -0.07 0.00 1.01 0.00 0.00 42.92 41.06 1shq s ASP 368 CO 0.28 -2.46 0.76 0.54 0.21 0.00 0.00 175.17 174.49 1shq n ARG 369 N -3.35 0.75 -0.70 8.23 5.12 -1.26 -2.03 116.66 123.42 1shq n ARG 369 Ca 0.12 0.29 0.00 0.00 -1.93 0.00 0.00 57.85 56.33 1shq n ARG 369 Cb 0.51 -1.92 0.00 0.00 -1.16 0.00 0.00 32.46 29.89 1shq n ARG 369 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1shq n ASN 370 N -0.03 0.00 -4.76 0.55 5.03 -1.26 -4.99 115.26 109.80 1shq n ASN 370 Ca 0.12 0.00 -0.40 0.00 0.87 0.00 0.00 54.58 55.18 1shq n ASN 370 Cb 0.46 -0.57 -0.04 0.00 -1.02 0.00 0.00 39.78 38.62 1shq n ASN 370 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1shq s THR 371 N -3.11 3.37 0.04 3.41 2.01 -0.86 -4.94 115.64 115.56 1shq s THR 371 Ca 0.00 1.32 -0.32 0.00 0.31 0.00 0.00 61.69 63.00 1shq s THR 371 Cb 0.00 -3.82 -0.11 0.00 0.01 0.00 0.00 72.50 68.58 1shq s THR 371 CO 0.00 0.27 1.87 -0.67 -0.69 0.00 0.00 174.62 175.40 1shq n ASP 372 N 0.89 3.82 0.33 3.53 -0.08 -1.26 -4.83 116.55 118.96 1shq n ASP 372 Ca 0.00 0.97 0.19 0.00 -1.51 0.00 0.00 54.79 54.44 1shq n ASP 372 Cb 0.45 -1.48 1.04 0.00 2.34 0.00 0.00 41.12 43.47 1shq n ASP 372 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1shq h ILE 373 N 5.07 0.00 -0.36 5.18 6.09 -1.92 0.18 117.51 131.75 1shq h ILE 373 Ca -0.48 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.01 1shq h ILE 373 Cb 1.24 0.84 0.00 0.00 0.47 0.00 0.00 36.82 39.38 1shq h ILE 373 CO 0.94 0.00 0.00 0.18 -3.07 0.00 0.00 178.15 176.20 1shq n LEU 374 N -2.96 2.71 0.00 2.19 4.77 -1.26 -4.25 117.00 118.19 1shq n LEU 374 Ca -0.03 -1.21 -0.27 0.00 -0.03 0.00 0.00 56.01 54.47 1shq n LEU 374 Cb 0.19 -0.23 0.18 0.00 -2.33 0.00 0.00 43.42 41.23 1shq n LEU 374 CO 0.17 0.61 0.79 -0.67 -1.33 0.00 0.00 177.39 176.95 1shq n ASP 375 N 0.99 0.40 -4.78 -1.43 -0.08 0.61 -4.86 116.55 107.41 1shq n ASP 375 Ca 0.18 -1.63 -0.33 0.00 -1.51 0.00 0.00 54.79 51.50 1shq n ASP 375 Cb 0.47 -0.91 0.05 0.00 2.34 0.00 0.00 41.12 43.07 1shq n ASP 375 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1shq s PHE 376 N -3.65 2.69 -0.18 -0.67 0.08 -1.26 -2.17 117.98 112.82 1shq s PHE 376 Ca 0.72 1.54 0.09 0.00 0.12 0.00 0.00 56.93 59.40 1shq s PHE 376 Cb -0.02 -3.12 -0.17 0.00 -0.57 0.00 0.00 43.02 39.13 1shq s PHE 376 CO 0.50 -1.60 -0.04 0.00 -0.10 0.00 0.00 175.22 173.97 1shq n ALA 377 N -2.50 1.59 0.00 5.36 0.00 -0.38 -4.49 120.51 120.10 1shq n ALA 377 Ca 0.10 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.56 1shq n ALA 377 Cb 0.52 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1shq n ALA 377 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1shq n GLY 378 N 2.23 -0.61 3.17 0.00 0.00 -1.22 -4.11 105.19 104.65 1shq n GLY 378 Ca -0.30 -0.62 -0.27 0.00 0.00 0.00 0.00 46.02 44.82 1shq n GLY 378 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1shq s ILE 379 N -3.40 1.57 0.13 -0.61 1.01 -1.26 -1.87 121.20 116.77 1shq s ILE 379 Ca 0.00 -0.81 -0.31 0.00 0.00 0.00 0.00 60.65 59.53 1shq s ILE 379 Cb 0.00 -1.34 -0.09 0.00 0.01 0.00 0.00 42.46 41.05 1shq s ILE 379 CO 0.00 0.45 1.46 -0.55 0.00 0.00 0.00 174.94 176.30 1shq s SER 380 N -0.10 6.73 0.00 3.58 0.15 -0.77 -4.91 113.70 118.37 1shq s SER 380 Ca -0.01 2.43 0.21 0.00 0.70 0.00 0.00 55.95 59.28 1shq s SER 380 Cb -0.11 -2.59 1.25 0.00 -1.71 0.00 0.00 66.02 62.86 1shq s SER 380 CO 0.02 -0.72 1.75 -0.90 1.20 0.00 0.00 173.24 174.59 1shq n ASP 381 N 4.00 0.00 -0.11 5.45 5.68 -1.26 -0.33 116.55 129.97 1shq n ASP 381 Ca 0.12 -1.17 -0.23 0.00 -0.50 0.00 0.00 54.79 53.02 1shq n ASP 381 Cb 0.41 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.30 1shq n ASP 381 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1shq n LEU 382 N -0.86 1.94 -0.15 -2.12 4.77 -1.26 -4.75 117.00 114.58 1shq n LEU 382 Ca 0.16 0.19 0.01 0.00 -0.03 0.00 0.00 56.01 56.34 1shq n LEU 382 Cb 0.07 -0.70 0.03 0.00 -2.33 0.00 0.00 43.42 40.50 1shq n LEU 382 CO 0.12 0.57 0.47 -0.90 -1.33 0.00 0.00 177.39 176.32 1shq n ASP 383 N -3.83 1.98 -1.41 -1.43 5.68 -1.22 -4.98 116.55 111.33 1shq n ASP 383 Ca -0.44 -1.78 -0.17 0.00 -0.50 0.00 0.00 54.79 51.90 1shq n ASP 383 Cb 0.84 -0.04 -0.07 0.00 -1.14 0.00 0.00 41.12 40.71 1shq n ASP 383 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1shq n ASP 384 N -0.15 -5.10 -4.61 -1.12 2.03 0.55 -4.98 116.55 103.18 1shq n ASP 384 Ca 0.03 0.43 -0.33 0.00 0.52 0.00 0.00 54.79 55.44 1shq n ASP 384 Cb 0.24 -4.39 -0.10 0.00 -0.72 0.00 0.00 41.12 36.14 1shq n ASP 384 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1shq s ARG 385 N -3.46 2.69 0.64 -0.67 0.52 -1.25 -4.78 118.95 112.63 1shq s ARG 385 Ca 0.00 -0.62 -0.17 0.00 -0.52 0.00 0.00 55.73 54.42 1shq s ARG 385 Cb 0.00 -2.58 -0.07 0.00 0.52 0.00 0.00 34.95 32.82 1shq s ARG 385 CO 0.00 0.64 0.50 0.54 0.02 0.00 0.00 175.30 177.00 1shq n ARG 386 N 1.85 0.42 -3.96 3.54 1.74 -1.26 -1.85 116.66 117.13 1shq n ARG 386 Ca -0.17 0.17 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 1shq n ARG 386 Cb 0.53 -1.74 -0.10 0.00 -1.02 0.00 0.00 32.46 30.13 1shq n ARG 386 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 1shq s TYR 387 N -1.80 0.23 0.44 -1.55 1.13 -0.78 -4.59 117.35 110.44 1shq s TYR 387 Ca 0.67 -0.49 -0.11 0.00 -1.41 0.00 0.00 57.07 55.73 1shq s TYR 387 Cb -0.40 -0.17 -0.06 0.00 -1.10 0.00 0.00 41.96 40.22 1shq s TYR 387 CO 0.56 -0.25 0.82 0.95 -2.51 0.00 0.00 175.55 175.13 1shq s THR 388 N -1.78 4.75 0.15 -3.49 -4.23 -1.26 -1.24 115.64 108.53 1shq s THR 388 Ca -0.13 0.68 -0.21 0.00 -1.18 0.00 0.00 61.69 60.85 1shq s THR 388 Cb -0.07 -3.75 0.03 0.00 1.34 0.00 0.00 72.50 70.04 1shq s THR 388 CO -0.02 -0.63 1.64 0.40 -0.54 0.00 0.00 174.62 175.48 1shq h ILE 389 N 0.88 0.47 -3.05 2.99 2.04 -1.66 -3.41 117.51 115.76 1shq h ILE 389 Ca -0.47 0.00 -0.61 0.00 1.00 0.00 0.00 64.86 64.79 1shq h ILE 389 Cb 1.19 0.47 -0.06 0.00 -0.74 0.00 0.00 36.82 37.68 1shq h ILE 389 CO 0.63 0.00 -0.20 -0.76 0.00 0.00 0.00 178.15 177.82 1shq s LEU 390 N -10.51 4.45 0.37 1.44 1.43 -1.26 -0.49 118.68 114.11 1shq s LEU 390 Ca -0.15 0.93 -0.17 0.00 -1.03 0.00 0.00 54.13 53.72 1shq s LEU 390 Cb 0.12 -2.59 0.05 0.00 0.03 0.00 0.00 46.19 43.80 1shq s LEU 390 CO 0.68 0.29 0.78 1.51 0.23 0.00 0.00 176.35 179.84 1shq s ASP 391 N -0.87 -0.04 0.10 2.29 1.47 -1.04 -4.67 116.67 113.91 1shq s ASP 391 Ca 0.24 -1.05 0.06 0.00 1.18 0.00 0.00 52.55 52.97 1shq s ASP 391 Cb -0.16 0.83 -0.03 0.00 -0.34 0.00 0.00 42.92 43.21 1shq s ASP 391 CO 0.13 -1.63 -0.15 -0.31 0.68 0.00 0.00 175.17 173.89 1shq s TYR 392 N -2.58 1.35 0.08 2.11 1.51 -0.30 -0.31 117.35 119.21 1shq s TYR 392 Ca 0.15 -0.51 0.18 0.00 -1.01 0.00 0.00 57.07 55.88 1shq s TYR 392 Cb -0.05 -0.73 0.53 0.00 -0.11 0.00 0.00 41.96 41.60 1shq s TYR 392 CO 0.11 0.11 1.66 0.78 -1.11 0.00 0.00 175.55 177.10 1shq h GLY 393 N 3.89 0.00 -4.99 0.71 0.00 -1.20 -1.61 103.07 99.87 1shq h GLY 393 Ca -0.41 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.77 1shq h GLY 393 CO 0.45 0.00 -0.48 -0.45 0.00 0.00 0.00 176.54 176.06 1shq s SER 394 N -6.43 -0.07 0.00 0.19 0.15 -1.26 -2.21 113.70 104.07 1shq s SER 394 Ca 0.01 0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.69 1shq s SER 394 Cb 0.10 0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 1shq s SER 394 CO 0.70 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.49 1shq n GLY 395 N 2.02 0.99 0.00 9.45 0.00 -1.00 -4.62 105.19 112.03 1shq n GLY 395 Ca -0.19 -1.99 0.14 0.00 0.00 0.00 0.00 46.02 43.98 1shq n GLY 395 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1shq n PRO 396 N -1.61 0.93 0.09 1.61 -0.04 0.12 -2.82 135.00 133.27 1shq n PRO 396 Ca 0.00 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.57 1shq n PRO 396 Cb 0.00 -1.48 0.45 0.00 -0.04 0.00 0.00 33.50 32.43 1shq n PRO 396 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1shq n GLY 397 N 0.84 -1.29 3.72 0.55 0.00 -1.25 -4.74 105.19 103.01 1shq n GLY 397 Ca 0.21 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1shq n GLY 397 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1shq s TYR 398 N -3.19 3.41 -0.25 1.61 6.14 -1.23 -4.01 117.35 119.82 1shq s TYR 398 Ca 0.06 1.29 -0.03 0.00 0.64 0.00 0.00 57.07 59.04 1shq s TYR 398 Cb 0.10 -3.46 0.14 0.00 0.42 0.00 0.00 41.96 39.16 1shq s TYR 398 CO 0.40 -1.41 0.42 -1.58 0.64 0.00 0.00 175.55 174.02 1shq s HIS 399 N 0.71 -0.96 -0.35 4.97 2.46 -1.26 -4.93 115.29 115.93 1shq s HIS 399 Ca 0.58 1.01 -0.19 0.00 0.47 0.00 0.00 55.06 56.93 1shq s HIS 399 Cb -0.32 0.13 -0.00 0.00 -0.13 0.00 0.00 32.58 32.26 1shq s HIS 399 CO 0.32 -0.74 0.57 0.42 -2.47 0.00 0.00 174.74 172.84 1shq s ILE 400 N 2.60 4.96 1.09 0.89 1.01 -1.26 -0.68 121.20 129.81 1shq s ILE 400 Ca 0.14 0.47 -0.12 0.00 0.00 0.00 0.00 60.65 61.14 1shq s ILE 400 Cb -0.15 -4.01 0.24 0.00 0.01 0.00 0.00 42.46 38.55 1shq s ILE 400 CO -0.17 -0.25 1.06 0.42 0.00 0.00 0.00 174.94 176.01 1shq s THR 401 N 2.54 2.06 0.33 2.92 -4.23 0.27 -4.80 115.64 114.73 1shq s THR 401 Ca 0.21 0.02 0.10 0.00 -1.18 0.00 0.00 61.69 60.85 1shq s THR 401 Cb -0.15 -2.09 0.33 0.00 1.34 0.00 0.00 72.50 71.93 1shq s THR 401 CO 0.14 -0.03 1.76 -0.33 -0.54 0.00 0.00 174.62 175.62 1shq h GLU 402 N -2.38 0.58 -0.58 3.99 5.08 -1.98 0.35 114.58 119.65 1shq h GLU 402 Ca -0.56 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.76 1shq h GLU 402 Cb 1.31 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1shq h GLU 402 CO 0.48 0.39 0.00 -0.40 -1.00 0.00 0.00 179.01 178.48 1shq n ASP 403 N -4.77 2.85 -0.48 1.42 5.75 -1.26 -4.92 116.55 115.13 1shq n ASP 403 Ca 0.25 -2.24 -0.04 0.00 -0.01 0.00 0.00 54.79 52.75 1shq n ASP 403 Cb 0.71 -0.43 -0.00 0.00 -1.03 0.00 0.00 41.12 40.37 1shq n ASP 403 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1shq n GLY 404 N 0.78 0.24 3.91 6.12 0.00 0.12 -5.06 105.19 111.32 1shq n GLY 404 Ca 0.14 -0.72 -0.23 0.00 0.00 0.00 0.00 46.02 45.21 1shq n GLY 404 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1shq s LYS 405 N -4.03 2.37 -0.04 1.61 -0.14 -1.26 -4.87 119.74 113.39 1shq s LYS 405 Ca 0.00 -1.76 -0.30 0.00 -1.36 0.00 0.00 55.97 52.55 1shq s LYS 405 Cb 0.00 -2.30 -0.02 0.00 -1.68 0.00 0.00 37.83 33.82 1shq s LYS 405 CO 0.00 -0.49 0.98 0.50 -0.76 0.00 0.00 175.35 175.59 1shq s ARG 406 N -4.28 4.51 0.22 1.68 3.52 -1.26 -0.56 118.95 122.77 1shq s ARG 406 Ca 0.44 1.40 -0.32 0.00 -0.13 0.00 0.00 55.73 57.12 1shq s ARG 406 Cb -0.03 -3.49 -0.13 0.00 -1.56 0.00 0.00 34.95 29.73 1shq s ARG 406 CO 0.27 -0.15 1.47 0.98 -0.81 0.00 0.00 175.30 177.06 1shq n TYR 407 N 4.31 2.25 -3.57 5.12 9.36 0.14 -4.80 117.16 129.97 1shq n TYR 407 Ca 0.07 0.37 -0.40 0.00 3.32 0.00 0.00 57.90 61.26 1shq n TYR 407 Cb 0.50 -2.50 -0.11 0.00 -0.63 0.00 0.00 39.34 36.61 1shq n TYR 407 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 1shq s GLU 408 N -0.03 3.48 0.46 2.98 2.12 -1.26 -5.01 118.70 121.44 1shq s GLU 408 Ca 0.71 -0.65 -0.24 0.00 0.36 0.00 0.00 54.97 55.15 1shq s GLU 408 Cb -0.65 -3.73 -0.07 0.00 0.26 0.00 0.00 34.13 29.95 1shq s GLU 408 CO 0.46 -0.42 1.31 -1.25 -0.54 0.00 0.00 175.26 174.82 1shq s PRO 409 N 1.69 3.65 0.38 4.30 0.05 -1.26 -5.01 135.00 138.80 1shq s PRO 409 Ca 0.06 2.14 0.08 0.00 0.05 0.00 0.00 61.00 63.33 1shq s PRO 409 Cb -0.17 -2.53 -0.03 0.00 0.05 0.00 0.00 34.50 31.82 1shq s PRO 409 CO 0.09 -0.75 0.30 0.95 0.05 0.00 0.00 177.00 177.64 1shq s THR 410 N -1.32 3.00 0.50 1.26 -4.23 -1.26 -4.90 115.64 108.69 1shq s THR 410 Ca 0.63 -1.43 0.16 0.00 -1.18 0.00 0.00 61.69 59.87 1shq s THR 410 Cb -0.38 -3.06 0.30 0.00 1.34 0.00 0.00 72.50 70.70 1shq s THR 410 CO 0.47 -0.09 2.10 -0.08 -0.54 0.00 0.00 174.62 176.48 1shq h GLU 411 N 1.21 0.11 -0.21 3.99 4.81 -2.00 -0.57 114.58 121.92 1shq h GLU 411 Ca -0.43 -0.01 -0.19 0.00 -0.13 0.00 0.00 59.36 58.60 1shq h GLU 411 Cb 1.26 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1shq h GLU 411 CO 0.60 0.07 -0.64 1.49 -0.73 0.00 0.00 179.01 179.80 1shq h GLU 412 N 0.11 0.76 0.23 1.92 4.81 -2.00 -3.20 114.58 117.21 1shq h GLU 412 Ca 0.09 -0.54 0.01 0.00 -0.13 0.00 0.00 59.36 58.79 1shq h GLU 412 Cb 0.21 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 1shq h GLU 412 CO -0.01 1.16 -0.29 -0.44 -0.73 0.00 0.00 179.01 178.69 1shq h ASP 413 N 0.56 -0.81 -0.96 1.04 3.32 -1.51 -2.49 116.42 115.56 1shq h ASP 413 Ca -0.01 0.08 0.26 0.00 0.02 0.00 0.00 57.03 57.38 1shq h ASP 413 Cb 1.24 0.29 -0.06 0.00 0.22 0.00 0.00 39.33 41.03 1shq h ASP 413 CO 0.13 -0.41 0.67 -0.07 -1.72 0.00 0.00 179.24 177.84 1shq h LEU 414 N -0.58 0.18 0.00 1.55 3.38 -1.39 0.04 115.31 118.49 1shq h LEU 414 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1shq h LEU 414 Cb 0.56 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1shq h LEU 414 CO -0.10 0.06 -0.70 0.11 0.09 0.00 0.00 178.44 177.90 1shq h LYS 415 N 0.17 0.00 -6.39 1.13 1.57 -1.52 -3.46 116.57 108.08 1shq h LYS 415 Ca 0.49 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.70 1shq h LYS 415 Cb 1.62 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.89 1shq h LYS 415 CO -0.10 0.00 1.09 0.34 -0.57 0.00 0.00 179.45 180.21 1shq s ASP 416 N -5.08 6.37 0.10 0.86 -1.08 -0.00 -4.88 116.67 112.97 1shq s ASP 416 Ca 0.03 1.19 0.08 0.00 -0.52 0.00 0.00 52.55 53.33 1shq s ASP 416 Cb 0.10 -2.54 0.41 0.00 -1.46 0.00 0.00 42.92 39.44 1shq s ASP 416 CO 0.74 -1.34 1.24 2.30 0.52 0.00 0.00 175.17 178.64 1shq n ILE 417 N 6.73 1.62 0.17 4.11 -5.35 -1.26 -0.43 119.36 124.96 1shq n ILE 417 Ca 0.17 0.55 0.09 0.00 -0.27 0.00 0.00 62.75 63.29 1shq n ILE 417 Cb 0.47 -1.53 0.18 0.00 -1.74 0.00 0.00 39.64 37.01 1shq n ILE 417 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1shq n ASN 418 N -1.74 3.09 -4.72 7.28 3.02 -1.26 -4.66 115.26 116.27 1shq n ASN 418 Ca -0.00 -1.90 -0.42 0.00 -0.03 0.00 0.00 54.58 52.23 1shq n ASN 418 Cb 0.03 -0.22 -0.03 0.00 -0.61 0.00 0.00 39.78 38.95 1shq n ASN 418 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1shq s PHE 419 N -1.23 3.33 -0.46 3.10 5.36 0.43 -4.96 117.98 123.55 1shq s PHE 419 Ca 0.31 1.14 -0.19 0.00 -0.96 0.00 0.00 56.93 57.23 1shq s PHE 419 Cb 0.18 -3.56 0.04 0.00 -0.34 0.00 0.00 43.02 39.34 1shq s PHE 419 CO 0.25 -1.85 0.55 1.03 -1.46 0.00 0.00 175.22 173.74 1shq s ARG 420 N 0.91 3.14 0.73 10.12 0.52 -1.26 -4.44 118.95 128.67 1shq s ARG 420 Ca 0.61 -0.74 -0.14 0.00 -0.52 0.00 0.00 55.73 54.94 1shq s ARG 420 Cb -0.34 -4.02 0.04 0.00 0.52 0.00 0.00 34.95 31.15 1shq s ARG 420 CO 0.31 -1.03 1.17 0.71 0.02 0.00 0.00 175.30 176.48 1shq s TYR 421 N 2.45 2.19 0.63 -0.53 1.51 -0.59 -4.60 117.35 118.41 1shq s TYR 421 Ca 0.15 1.60 -0.18 0.00 -1.01 0.00 0.00 57.07 57.63 1shq s TYR 421 Cb -0.17 -3.36 -0.02 0.00 -0.11 0.00 0.00 41.96 38.30 1shq s TYR 421 CO 0.14 -2.34 1.29 0.00 -1.11 0.00 0.00 175.55 173.53 1shq s ALA 422 N -2.17 2.43 0.34 3.71 0.00 -1.26 -3.96 121.76 120.85 1shq s ALA 422 Ca 0.71 1.20 0.04 0.00 0.00 0.00 0.00 51.96 53.91 1shq s ALA 422 Cb -0.26 -3.54 -0.07 0.00 0.00 0.00 0.00 23.12 19.25 1shq s ALA 422 CO 0.46 -1.52 0.05 -1.54 0.00 0.00 0.00 175.76 173.20 1shq s SER 423 N -1.39 2.68 -0.02 0.00 1.04 -1.26 -1.15 113.70 113.61 1shq s SER 423 Ca 0.81 -1.37 0.17 0.00 0.48 0.00 0.00 55.95 56.04 1shq s SER 423 Cb -0.37 -0.15 -0.19 0.00 0.10 0.00 0.00 66.02 65.41 1shq s SER 423 CO 0.39 -0.57 0.61 0.00 0.98 0.00 0.00 173.24 174.65 1shq n ALA 424 N -0.74 1.89 -3.67 5.32 0.00 -0.61 -4.29 120.51 118.42 1shq n ALA 424 Ca -0.03 -0.73 -0.28 0.00 0.00 0.00 0.00 53.44 52.40 1shq n ALA 424 Cb 0.67 -0.76 -0.16 0.00 0.00 0.00 0.00 19.45 19.19 1shq n ALA 424 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1shq s ALA 425 N -2.86 0.87 0.33 0.00 0.00 -0.94 -4.99 121.76 114.18 1shq s ALA 425 Ca -0.05 -0.81 -0.29 0.00 0.00 0.00 0.00 51.96 50.81 1shq s ALA 425 Cb 0.09 -1.25 -0.10 0.00 0.00 0.00 0.00 23.12 21.86 1shq s ALA 425 CO 0.83 -1.33 1.37 -1.25 0.00 0.00 0.00 175.76 175.38 1shq s PRO 426 N 1.93 4.28 -0.15 0.00 0.04 -1.26 -2.38 135.00 137.46 1shq s PRO 426 Ca 0.03 2.32 -0.29 0.00 0.04 0.00 0.00 61.00 63.11 1shq s PRO 426 Cb -0.17 -3.05 0.09 0.00 0.04 0.00 0.00 34.50 31.41 1shq s PRO 426 CO -0.16 -0.31 0.78 0.21 0.04 0.00 0.00 177.00 177.57 1shq s LYS 427 N -1.70 0.86 0.11 4.56 2.20 -1.13 -4.81 119.74 119.83 1shq s LYS 427 Ca 0.51 0.48 -0.19 0.00 -0.36 0.00 0.00 55.97 56.41 1shq s LYS 427 Cb -0.42 0.41 -0.06 0.00 -1.51 0.00 0.00 37.83 36.25 1shq s LYS 427 CO 0.54 -0.21 1.65 1.25 -0.36 0.00 0.00 175.35 178.22 1shq h HIS 428 N 3.60 0.40 -3.31 4.03 -0.00 -1.95 0.36 115.15 118.28 1shq h HIS 428 Ca -0.26 -0.03 -0.66 0.00 -0.00 0.00 0.00 60.37 59.42 1shq h HIS 428 Cb 1.15 -0.12 -0.28 0.00 -0.00 0.00 0.00 27.41 28.16 1shq h HIS 428 CO 0.36 0.40 -0.77 0.45 -0.00 0.00 0.00 177.93 178.37 1shq s SER 429 N -5.68 3.94 0.66 3.26 0.15 -1.26 -4.28 113.70 110.49 1shq s SER 429 Ca -0.13 -0.37 -0.17 0.00 0.70 0.00 0.00 55.95 55.97 1shq s SER 429 Cb 0.08 -1.61 -0.01 0.00 -1.71 0.00 0.00 66.02 62.77 1shq s SER 429 CO 0.72 0.12 1.17 0.55 1.20 0.00 0.00 173.24 177.00 1shq n VAL 430 N 3.81 4.26 -2.16 4.45 3.14 0.19 -4.75 118.33 127.27 1shq n VAL 430 Ca -0.18 -0.47 -0.29 0.00 -2.96 0.00 0.00 64.34 60.44 1shq n VAL 430 Cb 0.52 -1.34 0.03 0.00 -1.06 0.00 0.00 33.84 31.99 1shq n VAL 430 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1shq s THR 431 N -1.51 3.83 1.07 1.55 -4.23 -1.26 -4.76 115.64 110.32 1shq s THR 431 Ca 0.80 0.31 -0.15 0.00 -1.18 0.00 0.00 61.69 61.47 1shq s THR 431 Cb -0.38 -3.55 0.22 0.00 1.34 0.00 0.00 72.50 70.14 1shq s THR 431 CO 0.43 -0.65 1.11 -1.00 -0.54 0.00 0.00 174.62 173.98 1shq s HIS 432 N -3.13 1.54 -0.03 3.99 3.76 -1.26 -4.42 115.29 115.73 1shq s HIS 432 Ca 0.55 0.77 0.06 0.00 -0.15 0.00 0.00 55.06 56.29 1shq s HIS 432 Cb -0.11 -3.37 -0.02 0.00 1.11 0.00 0.00 32.58 30.19 1shq s HIS 432 CO 0.49 -3.23 -0.22 0.34 -0.85 0.00 0.00 174.74 171.27 1shq s ASP 433 N -3.70 3.39 0.00 1.40 -1.08 -0.58 -4.73 116.67 111.37 1shq s ASP 433 Ca 0.68 -0.38 0.29 0.00 -0.52 0.00 0.00 52.55 52.62 1shq s ASP 433 Cb -0.15 -0.54 1.27 0.00 -1.46 0.00 0.00 42.92 42.04 1shq s ASP 433 CO 0.57 0.33 1.87 0.61 0.52 0.00 0.00 175.17 179.06 1shq n GLY 434 N 2.42 -0.60 3.76 2.66 0.00 -1.26 -2.77 105.19 109.40 1shq n GLY 434 Ca -0.16 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 1shq n GLY 434 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1shq s THR 435 N -2.21 2.47 0.47 2.61 2.01 -1.26 -4.69 115.64 115.04 1shq s THR 435 Ca 0.36 0.37 -0.22 0.00 0.31 0.00 0.00 61.69 62.51 1shq s THR 435 Cb 0.21 -3.20 -0.10 0.00 0.01 0.00 0.00 72.50 69.42 1shq s THR 435 CO 0.41 0.01 0.75 0.47 -0.69 0.00 0.00 174.62 175.57 1shq n ASP 436 N -0.59 0.00 -4.64 3.53 8.00 -1.26 -4.46 116.55 117.14 1shq n ASP 436 Ca 0.08 0.91 -0.24 0.00 0.71 0.00 0.00 54.79 56.24 1shq n ASP 436 Cb 0.45 -1.24 -0.08 0.00 -0.02 0.00 0.00 41.12 40.23 1shq n ASP 436 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1shq s VAL 437 N -1.45 2.74 0.50 2.53 -7.23 -0.87 -4.72 120.40 111.90 1shq s VAL 437 Ca 0.66 -1.95 -0.10 0.00 -1.81 0.00 0.00 61.98 58.78 1shq s VAL 437 Cb -0.54 -2.81 -0.05 0.00 0.56 0.00 0.00 36.38 33.54 1shq s VAL 437 CO 0.56 -0.22 0.87 -0.83 -0.31 0.00 0.00 175.10 175.17 1shq s GLY 438 N -3.72 1.77 -0.03 2.32 0.00 -1.26 -0.60 107.32 105.80 1shq s GLY 438 Ca 0.35 -0.20 0.03 0.00 0.00 0.00 0.00 44.72 44.89 1shq s GLY 438 CO 0.20 0.02 -0.10 -0.42 0.00 0.00 0.00 173.10 172.79 1shq s ILE 439 N -2.71 0.86 -0.03 0.90 1.01 -0.10 -3.52 121.20 117.60 1shq s ILE 439 Ca 0.52 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.78 1shq s ILE 439 Cb -0.10 -0.76 0.02 0.00 0.01 0.00 0.00 42.46 41.63 1shq s ILE 439 CO 0.41 0.27 -0.02 0.26 0.00 0.00 0.00 174.94 175.85 1shq s TRP 440 N 0.19 0.44 0.01 3.97 0.51 0.06 0.00 118.94 124.12 1shq s TRP 440 Ca -0.03 -0.07 -0.00 0.00 -2.12 0.00 0.00 56.10 53.88 1shq s TRP 440 Cb -0.09 -0.44 -0.01 0.00 -0.81 0.00 0.00 33.47 32.12 1shq s TRP 440 CO 0.01 -0.12 -0.01 0.08 -0.51 0.00 0.00 176.95 176.40 1shq s VAL 441 N 0.76 0.05 0.01 4.03 1.01 -0.12 -0.19 120.40 125.94 1shq s VAL 441 Ca -0.08 -0.38 -0.00 0.00 0.00 0.00 0.00 61.98 61.51 1shq s VAL 441 Cb -0.12 -0.12 -0.01 0.00 0.00 0.00 0.00 36.38 36.13 1shq s VAL 441 CO -0.01 -0.21 -0.01 0.21 0.00 0.00 0.00 175.10 175.09 1shq s ASN 442 N -0.62 0.07 0.00 3.32 2.47 0.00 -3.79 114.94 116.40 1shq s ASN 442 Ca -0.07 -0.15 0.00 0.00 0.42 0.00 0.00 52.86 53.06 1shq s ASN 442 Cb -0.04 0.04 0.00 0.00 -1.45 0.00 0.00 41.25 39.80 1shq s ASN 442 CO -0.00 -0.10 0.00 0.61 -3.72 0.00 0.00 177.10 173.89 1shq n GLY 443 N 2.60 -0.57 3.68 1.21 0.00 -1.26 -0.86 105.19 109.98 1shq n GLY 443 Ca -0.16 -2.19 -0.52 0.00 0.00 0.00 0.00 46.02 43.15 1shq n GLY 443 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1shq n PRO 444 N 0.00 1.69 -1.97 1.61 -0.02 -1.24 -1.17 135.00 133.90 1shq n PRO 444 Ca 0.00 0.62 -0.14 0.00 -2.02 0.00 0.00 63.50 61.96 1shq n PRO 444 Cb 0.00 -2.37 -0.02 0.00 -0.02 0.00 0.00 33.50 31.08 1shq n PRO 444 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1shq n PHE 445 N 5.20 -0.44 0.24 6.00 3.72 0.30 -4.82 117.46 127.67 1shq n PHE 445 Ca 0.23 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.72 1shq n PHE 445 Cb 0.22 -2.82 0.62 0.00 -0.94 0.00 0.00 39.48 36.57 1shq n PHE 445 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1shq h ALA 446 N 0.44 1.48 0.00 4.37 0.00 -1.40 -1.06 119.26 123.09 1shq h ALA 446 Ca -0.32 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1shq h ALA 446 Cb 1.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1shq h ALA 446 CO 0.40 0.19 0.00 -2.39 0.00 0.00 0.00 179.25 177.45 1shq n HIS 447 N -3.97 0.00 1.91 0.00 1.44 -1.26 -2.27 115.22 111.07 1shq n HIS 447 Ca -0.02 0.00 0.16 0.00 -2.01 0.00 0.00 57.72 55.85 1shq n HIS 447 Cb 0.24 0.00 0.92 0.00 0.12 0.00 0.00 29.99 31.27 1shq n HIS 447 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1shq n LEU 448 N -0.73 0.00 -3.89 2.39 4.77 -0.40 -4.46 117.00 114.68 1shq n LEU 448 Ca 0.06 0.04 -0.29 0.00 -0.03 0.00 0.00 56.01 55.79 1shq n LEU 448 Cb 0.03 -0.04 -0.13 0.00 -2.33 0.00 0.00 43.42 40.95 1shq n LEU 448 CO 0.05 -0.00 -0.10 -0.36 -1.33 0.00 0.00 177.39 175.64 1shq s PHE 449 N -2.08 3.27 -0.01 -1.77 0.08 -0.96 -4.88 117.98 111.64 1shq s PHE 449 Ca 0.45 -3.21 -0.00 0.00 0.12 0.00 0.00 56.93 54.30 1shq s PHE 449 Cb 0.22 -2.64 -0.00 0.00 -0.57 0.00 0.00 43.02 40.02 1shq s PHE 449 CO 0.38 -0.63 -0.01 0.25 -0.10 0.00 0.00 175.22 175.11 1shq n THR 450 N 2.46 0.04 0.00 0.64 -2.24 -1.26 -4.01 114.28 109.91 1shq n THR 450 Ca 0.15 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1shq n THR 450 Cb 0.34 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 1shq n THR 450 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1shq n GLY 451 N 3.39 0.52 3.16 3.38 0.00 -1.26 -4.67 105.19 109.70 1shq n GLY 451 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1shq n GLY 451 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1shq s VAL 452 N 3.82 1.86 0.12 1.61 1.01 -1.26 -1.51 120.40 126.05 1shq s VAL 452 Ca 0.00 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.13 1shq s VAL 452 Cb 0.00 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 1shq s VAL 452 CO 0.00 0.51 -0.10 -0.31 0.00 0.00 0.00 175.10 175.21 1shq s TYR 453 N 0.60 1.14 0.32 5.22 2.02 0.23 -4.96 117.35 121.92 1shq s TYR 453 Ca -0.13 -0.74 -0.29 0.00 -0.37 0.00 0.00 57.07 55.54 1shq s TYR 453 Cb -0.17 -0.60 -0.10 0.00 -0.40 0.00 0.00 41.96 40.69 1shq s TYR 453 CO 0.04 0.02 1.31 -1.21 -1.57 0.00 0.00 175.55 174.14 1shq s GLU 454 N -3.40 4.36 0.45 -0.62 0.41 -1.26 -0.67 118.70 117.96 1shq s GLU 454 Ca 0.12 2.21 0.19 0.00 -0.41 0.00 0.00 54.97 57.08 1shq s GLU 454 Cb 0.01 -3.08 1.14 0.00 -1.78 0.00 0.00 34.13 30.42 1shq s GLU 454 CO -0.00 -0.19 1.90 1.49 -0.49 0.00 0.00 175.26 177.97 1shq h GLU 455 N 3.50 0.32 0.00 1.61 4.81 -1.68 -1.45 114.58 121.68 1shq h GLU 455 Ca -0.49 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1shq h GLU 455 Cb 1.23 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1shq h GLU 455 CO 0.66 0.21 0.00 0.27 -0.73 0.00 0.00 179.01 179.42 1shq n ASN 456 N -4.46 0.00 0.07 1.04 6.94 -1.26 -2.76 115.26 114.83 1shq n ASN 456 Ca 0.16 0.11 -0.01 0.00 -0.02 0.00 0.00 54.58 54.81 1shq n ASN 456 Cb 0.63 -0.33 0.26 0.00 -2.36 0.00 0.00 39.78 37.98 1shq n ASN 456 CO 0.00 0.00 0.00 0.22 -1.03 0.00 0.00 177.26 176.45 1shq h TYR 457 N 0.00 0.36 -0.42 -2.53 3.20 -1.55 -3.36 116.97 112.68 1shq h TYR 457 Ca 0.00 -0.07 0.06 0.00 3.14 0.00 0.00 58.73 61.85 1shq h TYR 457 Cb 0.22 -0.09 -0.09 0.00 1.54 0.00 0.00 36.73 38.32 1shq h TYR 457 CO 0.00 0.57 -0.53 0.82 -1.64 0.00 0.00 178.16 177.38 1shq h ILE 458 N 0.29 0.03 0.00 1.81 2.04 -1.70 -0.45 117.51 119.53 1shq h ILE 458 Ca 0.04 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.83 1shq h ILE 458 Cb 0.63 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 1shq h ILE 458 CO 0.05 0.00 -0.33 1.55 0.00 0.00 0.00 178.15 179.41 1shq h PRO 459 N -0.38 0.00 -0.56 2.37 0.13 -1.71 0.19 132.00 132.05 1shq h PRO 459 Ca 0.09 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.12 1shq h PRO 459 Cb 0.59 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.71 1shq h PRO 459 CO -0.60 0.33 -0.05 0.45 -0.23 0.00 0.00 178.00 177.91 1shq h HIS 460 N 0.00 1.13 -0.30 1.56 3.86 -1.34 0.31 115.15 120.37 1shq h HIS 460 Ca -0.00 -0.21 -0.06 0.00 -1.16 0.00 0.00 60.37 58.93 1shq h HIS 460 Cb 0.63 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.80 1shq h HIS 460 CO 0.00 1.02 -0.04 0.00 0.86 0.00 0.00 177.93 179.77 1shq h ALA 461 N 0.95 0.41 -0.62 2.45 0.00 -0.58 -2.65 119.26 119.22 1shq h ALA 461 Ca 0.15 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1shq h ALA 461 Cb 0.61 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1shq h ALA 461 CO 0.04 0.20 0.41 -0.07 0.00 0.00 0.00 179.25 179.83 1shq h LEU 462 N 0.34 0.67 -0.70 0.00 3.38 -0.11 -2.57 115.31 116.32 1shq h LEU 462 Ca 0.08 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 1shq h LEU 462 Cb 0.51 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1shq h LEU 462 CO 0.02 0.47 -0.23 0.00 0.09 0.00 0.00 178.44 178.79 1shq h ALA 463 N 1.63 0.88 -0.49 1.53 0.00 -0.22 -1.32 119.26 121.27 1shq h ALA 463 Ca 0.24 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 54.83 1shq h ALA 463 Cb -0.01 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 1shq h ALA 463 CO -0.06 0.63 0.21 -0.92 0.00 0.00 0.00 179.25 179.11 1shq h TYR 464 N 0.66 0.37 -0.01 0.00 5.03 -1.11 0.52 116.97 122.44 1shq h TYR 464 Ca 0.09 0.02 -0.16 0.00 2.58 0.00 0.00 58.73 61.27 1shq h TYR 464 Cb 0.74 -0.10 -0.02 0.00 1.55 0.00 0.00 36.73 38.90 1shq h TYR 464 CO 0.04 0.16 -0.73 0.00 -1.32 0.00 0.00 178.16 176.31 1shq h ALA 465 N 1.29 0.78 0.00 1.82 0.00 -1.16 -1.15 119.26 120.84 1shq h ALA 465 Ca 0.22 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1shq h ALA 465 Cb 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1shq h ALA 465 CO -0.20 0.88 -0.63 0.00 0.00 0.00 0.00 179.25 179.31 1shq n ALA 466 N -2.42 3.54 -2.93 0.00 0.00 -0.53 0.12 120.51 118.29 1shq n ALA 466 Ca -0.01 -0.36 -0.12 0.00 0.00 0.00 0.00 53.44 52.94 1shq n ALA 466 Cb 0.71 -1.08 0.06 0.00 0.00 0.00 0.00 19.45 19.13 1shq n ALA 466 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1shq s VAL 468 N -3.29 0.47 0.03 0.00 -7.23 -0.68 -5.02 120.40 104.67 1shq s VAL 468 Ca 0.24 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 1shq s VAL 468 Cb -0.03 -2.44 0.00 0.00 0.56 0.00 0.00 36.38 34.47 1shq s VAL 468 CO 0.57 -0.16 0.00 0.61 -0.31 0.00 0.00 175.10 175.81 1shq n GLY 469 N -0.35 -2.04 1.08 2.32 0.00 -1.26 -4.59 105.19 100.35 1shq n GLY 469 Ca -0.02 -1.40 0.03 0.00 0.00 0.00 0.00 46.02 44.62 1shq n GLY 469 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1shq n THR 470 N -0.99 2.44 -3.36 2.61 -2.24 -1.26 -4.97 114.28 106.50 1shq n THR 470 Ca 0.00 -2.15 -0.00 0.00 -2.27 0.00 0.00 64.05 59.63 1shq n THR 470 Cb 0.06 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 1shq n THR 470 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1shq n GLY 471 N -0.72 2.74 3.77 3.38 0.00 -1.26 -5.07 105.19 108.03 1shq n GLY 471 Ca 0.27 -2.16 -0.40 0.00 0.00 0.00 0.00 46.02 43.73 1shq n GLY 471 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1shq n ARG 472 N -0.66 2.36 -4.00 1.61 0.63 -1.26 -5.01 116.66 110.33 1shq n ARG 472 Ca 0.00 0.84 -0.10 0.00 -0.92 0.00 0.00 57.85 57.67 1shq n ARG 472 Cb 0.01 -2.66 -0.11 0.00 0.45 0.00 0.00 32.46 30.15 1shq n ARG 472 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1shq s THR 473 N -1.18 0.21 0.31 5.15 2.01 -1.26 -4.15 115.64 116.73 1shq s THR 473 Ca 0.60 -0.94 -0.00 0.00 0.31 0.00 0.00 61.69 61.66 1shq s THR 473 Cb -0.45 -0.34 0.22 0.00 0.01 0.00 0.00 72.50 71.94 1shq s THR 473 CO 0.59 -0.46 1.93 0.15 -0.69 0.00 0.00 174.62 176.13 1shq h PHE 474 N 4.64 0.88 0.00 4.92 3.57 -1.52 -2.19 116.94 127.24 1shq h PHE 474 Ca -0.33 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.09 1shq h PHE 474 Cb 1.21 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 1shq h PHE 474 CO 0.65 0.62 -0.33 0.00 -2.23 0.00 0.00 178.31 177.02