#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 1.06 -0.72 3.44 1.02 -1.26 -4.68 120.64 119.51 1shq n GLU 2 Ca 0.00 -1.02 -0.00 0.00 -0.02 0.00 0.00 57.16 56.12 1shq n GLU 2 Cb 0.00 -2.26 0.00 0.00 -0.02 0.00 0.00 31.44 29.16 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 4.77 0.01 -0.05 1.62 5.68 -1.26 -4.83 116.55 122.48 1shq n ASP 3 Ca 0.24 -1.01 -0.09 0.00 -0.50 0.00 0.00 54.79 53.43 1shq n ASP 3 Cb 0.08 -0.01 -0.02 0.00 -1.14 0.00 0.00 41.12 40.04 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 0.20 -0.75 0.11 3.64 -2.00 -1.85 116.57 115.92 1shq h LYS 4 Ca -0.00 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1shq h LYS 4 Cb 0.01 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.75 1shq h LYS 4 CO 0.00 0.13 0.49 0.00 -2.27 0.00 0.00 179.45 177.80 1shq h ALA 5 N 1.14 0.96 -0.42 5.00 0.00 -1.94 -1.52 119.26 122.48 1shq h ALA 5 Ca 0.10 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1shq h ALA 5 Cb 0.05 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.50 1shq h ALA 5 CO -0.09 0.34 0.07 -0.92 0.00 0.00 0.00 179.25 178.64 1shq h TYR 6 N 0.99 0.10 0.03 0.00 5.03 -1.62 -1.79 116.97 119.71 1shq h TYR 6 Ca 0.28 0.03 -0.22 0.00 2.58 0.00 0.00 58.73 61.40 1shq h TYR 6 Cb -0.08 0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.21 1shq h TYR 6 CO -0.02 -0.01 -0.99 -1.49 -1.32 0.00 0.00 178.16 174.33 1shq h TRP 7 N 0.19 0.39 -0.34 -3.82 4.06 -1.36 -1.53 115.95 113.53 1shq h TRP 7 Ca 0.20 -0.23 -0.10 0.00 2.06 0.00 0.00 58.89 60.83 1shq h TRP 7 Cb 0.26 -0.03 -0.02 0.00 -1.00 0.00 0.00 29.16 28.37 1shq h TRP 7 CO -0.22 1.09 -0.18 -0.91 -3.56 0.00 0.00 178.44 174.66 1shq h ASN 8 N 0.12 0.63 -0.21 -3.49 2.35 -0.98 -1.17 115.58 112.83 1shq h ASN 8 Ca -0.07 -0.20 -0.13 0.00 -0.55 0.00 0.00 56.30 55.35 1shq h ASN 8 Cb 1.65 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 39.85 1shq h ASN 8 CO 0.16 0.82 -0.37 0.50 -1.65 0.00 0.00 177.43 176.89 1shq h LYS 9 N 0.56 0.62 -0.53 0.81 3.64 -1.26 -1.76 116.57 118.66 1shq h LYS 9 Ca 0.09 -0.39 0.10 0.00 -1.27 0.00 0.00 60.65 59.19 1shq h LYS 9 Cb 0.63 0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 32.41 1shq h LYS 9 CO 0.04 1.00 0.02 0.22 -2.27 0.00 0.00 179.45 178.46 1shq h ASP 10 N 0.31 -0.19 -0.31 4.20 3.58 -0.95 -1.68 116.42 121.38 1shq h ASP 10 Ca 0.01 0.12 -0.17 0.00 0.42 0.00 0.00 57.03 57.41 1shq h ASP 10 Cb 0.96 0.21 -0.00 0.00 1.72 0.00 0.00 39.33 42.22 1shq h ASP 10 CO 0.08 -0.07 -0.48 0.00 -2.88 0.00 0.00 179.24 175.90 1shq h ALA 11 N 1.47 0.53 -0.70 -0.78 0.00 -1.19 -2.25 119.26 116.34 1shq h ALA 11 Ca 0.27 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1shq h ALA 11 Cb 0.41 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1shq h ALA 11 CO -0.43 0.68 0.23 1.96 0.00 0.00 0.00 179.25 181.69 1shq h GLN 12 N 0.70 1.06 -0.05 0.00 1.08 -0.84 0.19 115.11 117.24 1shq h GLN 12 Ca 0.03 -0.21 -0.00 0.00 -1.45 0.00 0.00 58.65 57.02 1shq h GLN 12 Cb 1.08 -0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 28.34 1shq h GLN 12 CO 0.11 0.89 0.02 -0.44 -0.95 0.00 0.00 178.83 178.46 1shq h ASP 13 N 1.03 0.07 -0.57 1.46 3.32 -1.28 0.34 116.42 120.78 1shq h ASP 13 Ca 0.23 -0.17 0.03 0.00 0.02 0.00 0.00 57.03 57.14 1shq h ASP 13 Cb 0.26 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 1shq h ASP 13 CO -0.01 0.22 0.38 0.00 -1.72 0.00 0.00 179.24 178.10 1shq h ALA 14 N 0.86 1.70 -0.40 3.45 0.00 -1.22 0.27 119.26 123.91 1shq h ALA 14 Ca 0.02 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1shq h ALA 14 Cb 0.17 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1shq h ALA 14 CO -0.00 0.25 -0.28 1.25 0.00 0.00 0.00 179.25 180.47 1shq h LEU 15 N 0.67 0.94 -0.71 0.00 5.85 -0.12 -1.91 115.31 120.02 1shq h LEU 15 Ca 0.23 -0.43 0.01 0.00 0.84 0.00 0.00 57.88 58.52 1shq h LEU 15 Cb 0.07 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 1shq h LEU 15 CO -0.06 1.17 0.47 0.44 -0.34 0.00 0.00 178.44 180.12 1shq h ASP 16 N 0.72 0.82 -0.57 1.25 3.32 0.14 -1.13 116.42 120.96 1shq h ASP 16 Ca 0.08 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 1shq h ASP 16 Cb 0.86 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.17 1shq h ASP 16 CO 0.08 0.60 0.29 0.50 -1.72 0.00 0.00 179.24 178.99 1shq h LYS 17 N 0.97 0.84 -0.11 3.56 3.64 -0.37 -2.27 116.57 122.83 1shq h LYS 17 Ca 0.26 -0.10 -0.19 0.00 -1.27 0.00 0.00 60.65 59.35 1shq h LYS 17 Cb -0.11 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 31.56 1shq h LYS 17 CO -0.06 0.65 -0.66 0.37 -2.27 0.00 0.00 179.45 177.49 1shq h GLN 18 N 0.84 0.65 0.00 1.90 5.75 -0.94 -2.24 115.11 121.08 1shq h GLN 18 Ca 0.21 -0.54 0.00 0.00 -0.15 0.00 0.00 58.65 58.17 1shq h GLN 18 Cb 0.08 0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.75 1shq h GLN 18 CO -0.03 1.16 0.00 -0.07 -2.65 0.00 0.00 178.83 177.24 1shq h LEU 19 N 0.31 0.00 -0.52 -2.39 3.38 -0.96 -2.70 115.31 112.43 1shq h LEU 19 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1shq h LEU 19 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1shq h LEU 19 CO 0.14 0.00 -0.34 0.61 0.09 0.00 0.00 178.44 178.94 1shq n GLY 20 N 0.06 -0.58 3.64 0.83 0.00 -0.87 -4.94 105.19 103.34 1shq n GLY 20 Ca 0.02 -0.44 -0.49 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.65 0.02 -4.18 -0.61 5.41 -1.02 -4.98 119.36 113.34 1shq n ILE 21 Ca 0.11 -0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.51 1shq n ILE 21 Cb 0.37 -1.26 -0.13 0.00 -0.71 0.00 0.00 39.64 37.91 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 0.85 3.59 0.45 0.38 2.47 -1.26 -5.10 119.74 121.11 1shq s LYS 22 Ca 0.82 -0.54 -0.23 0.00 -1.56 0.00 0.00 55.97 54.46 1shq s LYS 22 Cb -0.79 -3.00 -0.08 0.00 -1.46 0.00 0.00 37.83 32.50 1shq s LYS 22 CO 0.42 0.06 1.11 -0.51 0.16 0.00 0.00 175.35 176.58 1shq s LEU 23 N 0.86 4.00 -0.50 5.43 1.43 -1.26 -5.00 118.68 123.65 1shq s LEU 23 Ca -0.00 2.15 -0.05 0.00 -1.03 0.00 0.00 54.13 55.21 1shq s LEU 23 Cb -0.14 -4.30 0.13 0.00 0.03 0.00 0.00 46.19 41.90 1shq s LEU 23 CO 0.02 -0.79 0.32 -0.13 0.23 0.00 0.00 176.35 176.00 1shq s ARG 24 N -2.77 2.31 -0.86 1.70 0.52 -1.26 -4.95 118.95 113.64 1shq s ARG 24 Ca 0.63 -2.04 -0.00 0.00 -0.52 0.00 0.00 55.73 53.80 1shq s ARG 24 Cb -0.24 -3.73 0.34 0.00 0.52 0.00 0.00 34.95 31.84 1shq s ARG 24 CO 0.29 -1.14 1.73 0.39 0.02 0.00 0.00 175.30 176.60 1shq n GLU 25 N 4.32 4.08 -4.21 3.54 1.02 -1.26 -0.85 120.64 127.27 1shq n GLU 25 Ca 0.00 -4.28 -0.14 0.00 -0.02 0.00 0.00 57.16 52.72 1shq n GLU 25 Cb 0.40 -2.35 -0.10 0.00 -0.02 0.00 0.00 31.44 29.37 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 -4.08 0.96 0.53 3.49 -2.85 -1.26 -5.05 119.74 111.48 1shq s LYS 26 Ca 0.45 -1.31 -0.22 0.00 -1.00 0.00 0.00 55.97 53.90 1shq s LYS 26 Cb 0.31 -0.58 -0.06 0.00 -2.06 0.00 0.00 37.83 35.43 1shq s LYS 26 CO -0.24 0.08 1.20 0.94 0.10 0.00 0.00 175.35 177.43 1shq n GLN 27 N 0.17 1.48 -3.20 1.78 7.27 -1.26 -4.53 117.38 119.08 1shq n GLN 27 Ca -0.13 0.54 -0.39 0.00 0.07 0.00 0.00 57.00 57.09 1shq n GLN 27 Cb 0.59 -2.38 -0.06 0.00 2.41 0.00 0.00 30.24 30.81 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 -1.33 3.50 -0.09 1.69 0.00 0.25 -4.79 121.76 121.00 1shq s ALA 28 Ca 0.70 -0.25 -0.17 0.00 0.00 0.00 0.00 51.96 52.24 1shq s ALA 28 Cb -0.45 -2.83 -0.28 0.00 0.00 0.00 0.00 23.12 19.55 1shq s ALA 28 CO 0.51 -0.33 0.65 -0.22 0.00 0.00 0.00 175.76 176.37 1shq h LYS 29 N 7.21 0.26 -6.90 0.00 3.64 -1.25 -3.40 116.57 116.13 1shq h LYS 29 Ca -0.36 -0.45 -0.69 0.00 -1.27 0.00 0.00 60.65 57.89 1shq h LYS 29 Cb 1.16 0.17 -0.22 0.00 -0.41 0.00 0.00 32.23 32.93 1shq h LYS 29 CO 0.76 1.21 -0.87 -0.80 -2.27 0.00 0.00 179.45 177.48 1shq s ASN 30 N -7.03 3.34 -0.07 4.20 0.01 -0.59 -3.14 114.94 111.67 1shq s ASN 30 Ca -0.18 -0.74 -0.01 0.00 -0.71 0.00 0.00 52.86 51.22 1shq s ASN 30 Cb 0.03 -0.23 0.03 0.00 0.41 0.00 0.00 41.25 41.49 1shq s ASN 30 CO 0.79 0.18 -0.01 -0.69 -1.51 0.00 0.00 177.10 175.86 1shq s VAL 31 N -1.07 0.41 -0.18 1.60 1.01 -0.16 -1.32 120.40 120.68 1shq s VAL 31 Ca 0.14 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.20 1shq s VAL 31 Cb -0.10 -0.54 0.01 0.00 0.00 0.00 0.00 36.38 35.75 1shq s VAL 31 CO 0.06 0.26 -0.17 -0.63 0.00 0.00 0.00 175.10 174.62 1shq s ILE 32 N 1.81 2.38 -0.26 2.22 1.01 -0.07 -0.83 121.20 127.46 1shq s ILE 32 Ca 0.03 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 59.86 1shq s ILE 32 Cb -0.13 -2.02 0.05 0.00 0.01 0.00 0.00 42.46 40.38 1shq s ILE 32 CO -0.05 0.52 -0.09 0.12 0.00 0.00 0.00 174.94 175.44 1shq s PHE 33 N 1.23 3.24 -0.13 3.97 2.19 0.47 -1.53 117.98 127.42 1shq s PHE 33 Ca 0.03 -2.17 -0.15 0.00 0.33 0.00 0.00 56.93 54.97 1shq s PHE 33 Cb -0.14 -1.97 -0.05 0.00 -1.31 0.00 0.00 43.02 39.55 1shq s PHE 33 CO -0.09 -0.85 0.37 -0.06 1.83 0.00 0.00 175.22 176.41 1shq s PHE 34 N 1.15 3.51 -0.23 10.12 0.40 0.68 -1.29 117.98 132.32 1shq s PHE 34 Ca -0.07 0.74 0.00 0.00 -0.60 0.00 0.00 56.93 57.00 1shq s PHE 34 Cb -0.19 -2.40 0.06 0.00 0.51 0.00 0.00 43.02 41.00 1shq s PHE 34 CO -0.04 0.27 -0.04 -1.17 0.70 0.00 0.00 175.22 174.93 1shq s LEU 35 N 0.33 2.43 -0.60 -0.37 1.98 -0.25 -1.08 118.68 121.11 1shq s LEU 35 Ca 0.20 -1.16 -0.24 0.00 -2.89 0.00 0.00 54.13 50.05 1shq s LEU 35 Cb -0.14 -1.11 0.05 0.00 0.66 0.00 0.00 46.19 45.65 1shq s LEU 35 CO 0.07 -0.25 0.97 -0.83 -1.89 0.00 0.00 176.35 174.42 1shq s GLY 36 N 1.45 1.36 -0.11 7.98 0.00 -0.44 -0.80 107.32 116.76 1shq s GLY 36 Ca -0.05 -1.48 -0.29 0.00 0.00 0.00 0.00 44.72 42.90 1shq s GLY 36 CO -0.07 2.09 1.58 -0.35 0.00 0.00 0.00 173.10 176.35 1shq s ASP 37 N 3.21 6.66 0.00 1.64 -1.08 -0.72 -2.12 116.67 124.27 1shq s ASP 37 Ca 0.27 2.01 0.00 0.00 -0.52 0.00 0.00 52.55 54.32 1shq s ASP 37 Cb -0.14 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.79 1shq s ASP 37 CO 0.15 -0.96 0.00 0.61 0.52 0.00 0.00 175.17 175.49 1shq n GLY 38 N 4.14 0.45 3.40 2.66 0.00 -1.14 -1.36 105.19 113.34 1shq n GLY 38 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1shq n GLY 38 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1shq n MET 39 N -2.40 2.71 -0.82 1.61 1.56 -0.90 -3.33 117.12 115.55 1shq n MET 39 Ca 0.00 -2.91 -0.31 0.00 -0.27 0.00 0.00 57.70 54.22 1shq n MET 39 Cb 0.07 -3.47 0.15 0.00 2.15 0.00 0.00 33.22 32.12 1shq n MET 39 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 1shq s SER 40 N 4.54 3.16 0.40 6.12 1.04 -1.26 -4.67 113.70 123.03 1shq s SER 40 Ca 0.56 2.06 0.09 0.00 0.48 0.00 0.00 55.95 59.14 1shq s SER 40 Cb 0.06 -2.54 0.89 0.00 0.10 0.00 0.00 66.02 64.53 1shq s SER 40 CO 0.06 -2.93 1.99 -0.07 0.98 0.00 0.00 173.24 173.28 1shq h LEU 41 N -1.75 0.50 -0.90 2.42 3.38 -1.94 -0.58 115.31 116.43 1shq h LEU 41 Ca -0.44 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.43 1shq h LEU 41 Cb 1.26 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1shq h LEU 41 CO 0.44 0.32 -0.22 0.77 0.09 0.00 0.00 178.44 179.84 1shq h SER 42 N 0.57 0.55 -0.86 -0.43 4.64 -1.91 -1.12 113.55 114.98 1shq h SER 42 Ca 0.26 -0.18 -0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1shq h SER 42 Cb 0.29 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 62.19 1shq h SER 42 CO -0.08 0.77 0.53 0.74 -0.87 0.00 0.00 176.83 177.93 1shq h THR 43 N 0.49 1.24 -0.18 2.95 2.02 -1.47 0.57 112.91 118.52 1shq h THR 43 Ca 0.07 -0.50 -0.03 0.00 0.77 0.00 0.00 66.41 66.73 1shq h THR 43 Cb 0.66 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1shq h THR 43 CO 0.05 0.24 0.01 0.58 0.37 0.00 0.00 175.52 176.77 1shq h VAL 44 N 1.18 1.24 -0.46 3.16 2.07 -0.79 0.20 116.25 122.85 1shq h VAL 44 Ca 0.31 -0.82 0.01 0.00 0.82 0.00 0.00 66.70 67.03 1shq h VAL 44 Cb -0.06 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 1shq h VAL 44 CO -0.06 0.25 0.29 0.74 0.02 0.00 0.00 177.57 178.81 1shq h THR 45 N 0.08 1.09 -0.33 2.57 2.02 -1.04 0.96 112.91 118.26 1shq h THR 45 Ca 0.05 -0.20 -0.08 0.00 0.77 0.00 0.00 66.41 66.95 1shq h THR 45 Cb 0.36 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1shq h THR 45 CO 0.01 0.11 -0.12 0.00 0.37 0.00 0.00 175.52 175.88 1shq h ALA 46 N 1.19 1.18 -0.00 6.16 0.00 -0.80 -1.72 119.26 125.26 1shq h ALA 46 Ca 0.18 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 1shq h ALA 46 Cb -0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1shq h ALA 46 CO -0.06 0.52 -0.71 0.00 0.00 0.00 0.00 179.25 179.00 1shq h ALA 47 N 1.35 0.82 -0.37 0.00 0.00 -0.20 -0.63 119.26 120.24 1shq h ALA 47 Ca 0.09 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 1shq h ALA 47 Cb 0.52 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1shq h ALA 47 CO 0.03 0.89 0.18 -0.09 0.00 0.00 0.00 179.25 180.26 1shq h ARG 48 N 0.00 0.53 -0.45 0.00 2.43 -0.27 0.03 114.38 116.65 1shq h ARG 48 Ca -0.01 -0.08 -0.13 0.00 -0.81 0.00 0.00 59.98 58.96 1shq h ARG 48 Cb 1.26 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 1shq h ARG 48 CO 0.09 0.47 -0.23 0.82 -1.51 0.00 0.00 179.97 179.62 1shq h ILE 49 N 0.45 1.27 -0.11 1.20 2.04 -1.10 -1.69 117.51 119.57 1shq h ILE 49 Ca 0.13 -1.38 0.02 0.00 1.00 0.00 0.00 64.86 64.63 1shq h ILE 49 Cb 0.12 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1shq h ILE 49 CO -0.02 0.47 -0.02 0.22 0.00 0.00 0.00 178.15 178.81 1shq h TYR 50 N 0.80 -0.05 -0.52 1.37 3.20 -0.97 -1.23 116.97 119.58 1shq h TYR 50 Ca 0.10 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.02 1shq h TYR 50 Cb 0.79 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 39.06 1shq h TYR 50 CO 0.05 -0.04 0.29 -0.22 -1.64 0.00 0.00 178.16 176.60 1shq h LYS 51 N 0.01 0.55 -0.07 1.82 3.64 -0.86 -1.84 116.57 119.82 1shq h LYS 51 Ca 0.05 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1shq h LYS 51 Cb 0.08 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1shq h LYS 51 CO -0.11 0.36 0.03 0.78 -2.27 0.00 0.00 179.45 178.24 1shq h GLY 52 N 0.56 0.09 2.00 5.01 0.00 -0.68 0.89 103.07 110.94 1shq h GLY 52 Ca 0.22 -0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.46 1shq h GLY 52 CO -0.13 0.04 -0.25 -1.33 0.00 0.00 0.00 176.54 174.86 1shq h GLY 53 N 0.13 0.00 1.17 4.60 0.00 -0.37 0.22 103.07 108.83 1shq h GLY 53 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.04 1shq h GLY 53 CO -0.00 0.00 -1.58 1.41 0.00 0.00 0.00 176.54 176.37 1shq h LEU 54 N 0.00 0.44 -0.25 3.11 3.38 -0.75 -3.36 115.31 117.88 1shq h LEU 54 Ca -0.00 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1shq h LEU 54 Cb 0.52 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1shq h LEU 54 CO 0.03 1.52 -0.55 0.35 0.09 0.00 0.00 178.44 179.88 1shq n THR 55 N -3.48 0.00 -0.35 0.22 -2.24 -0.37 -4.94 114.28 103.12 1shq n THR 55 Ca -0.18 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1shq n THR 55 Cb 1.05 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 1shq n THR 55 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1shq n GLY 56 N 1.45 1.19 0.13 3.38 0.00 0.56 -4.88 105.19 107.02 1shq n GLY 56 Ca 0.07 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.19 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 3.41 0.00 0.00 1.61 1.57 -1.70 -3.49 116.57 117.97 1shq h LYS 57 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1shq h LYS 57 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1shq h LYS 57 CO 0.00 0.06 0.00 1.19 -0.57 0.00 0.00 179.45 180.13 1shq n PHE 58 N -2.81 0.00 0.32 -1.35 3.72 0.09 -2.14 117.46 115.28 1shq n PHE 58 Ca -0.00 0.00 0.21 0.00 -0.05 0.00 0.00 57.45 57.61 1shq n PHE 58 Cb 0.59 0.00 1.06 0.00 -0.94 0.00 0.00 39.48 40.19 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 -1.89 -1.21 114.58 113.47 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 0.00 0.54 -1.40 0.00 0.00 179.01 178.15 1shq n ARG 60 N -3.07 0.10 -0.65 2.33 5.12 -0.91 -4.91 116.66 114.67 1shq n ARG 60 Ca -0.02 0.10 -0.31 0.00 -1.93 0.00 0.00 57.85 55.69 1shq n ARG 60 Cb 0.14 -1.62 0.18 0.00 -1.16 0.00 0.00 32.46 29.99 1shq n ARG 60 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1shq n GLU 61 N -1.81 -1.08 -4.30 5.56 4.07 -0.46 -5.05 120.64 117.59 1shq n GLU 61 Ca 0.06 -0.27 -0.18 0.00 -0.06 0.00 0.00 57.16 56.72 1shq n GLU 61 Cb 0.37 -2.11 -0.15 0.00 -0.06 0.00 0.00 31.44 29.50 1shq n GLU 61 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1shq s LYS 62 N -4.17 0.64 0.32 5.31 1.02 -1.26 -4.96 119.74 116.64 1shq s LYS 62 Ca 0.63 -0.27 -0.23 0.00 0.02 0.00 0.00 55.97 56.12 1shq s LYS 62 Cb -0.22 -0.62 -0.10 0.00 -0.52 0.00 0.00 37.83 36.37 1shq s LYS 62 CO 0.63 0.16 0.89 0.42 -0.92 0.00 0.00 175.35 176.52 1shq s ILE 63 N -0.13 4.34 0.33 2.17 -1.09 -1.26 -4.93 121.20 120.63 1shq s ILE 63 Ca 0.02 1.61 0.05 0.00 -2.23 0.00 0.00 60.65 60.11 1shq s ILE 63 Cb -0.04 -3.90 0.30 0.00 -1.58 0.00 0.00 42.46 37.25 1shq s ILE 63 CO -0.00 0.07 1.87 0.77 -1.23 0.00 0.00 174.94 176.42 1shq h SER 64 N 3.00 0.77 0.59 3.58 4.64 -2.00 0.30 113.55 124.42 1shq h SER 64 Ca -0.47 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1shq h SER 64 Cb 1.19 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1shq h SER 64 CO 0.64 0.42 -0.10 -2.67 -0.87 0.00 0.00 176.83 174.25 1shq n TRP 65 N -4.56 0.00 1.68 4.77 2.14 -1.26 -2.02 117.44 118.19 1shq n TRP 65 Ca 0.17 0.00 0.14 0.00 2.07 0.00 0.00 57.50 59.88 1shq n TRP 65 Cb 0.38 -0.29 0.82 0.00 -0.81 0.00 0.00 31.31 31.40 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 -1.24 0.76 0.02 -2.67 1.02 0.10 -2.28 120.64 116.35 1shq n GLU 66 Ca 0.11 0.01 0.13 0.00 -0.02 0.00 0.00 57.16 57.39 1shq n GLU 66 Cb 0.29 -1.50 0.40 0.00 -0.02 0.00 0.00 31.44 30.61 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 -1.09 0.06 -2.17 3.49 -0.58 -0.85 -4.86 120.64 114.63 1shq n GLU 67 Ca 0.19 0.03 -0.35 0.00 -0.42 0.00 0.00 57.16 56.61 1shq n GLU 67 Cb 0.14 -1.55 0.01 0.00 -0.57 0.00 0.00 31.44 29.47 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 -3.03 2.57 -0.97 -0.32 0.08 -0.97 -4.95 117.98 110.39 1shq s PHE 68 Ca 0.12 1.53 0.27 0.00 0.12 0.00 0.00 56.93 58.97 1shq s PHE 68 Cb 0.17 -3.37 0.86 0.00 -0.57 0.00 0.00 43.02 40.11 1shq s PHE 68 CO 0.63 -1.82 1.67 -0.25 -0.10 0.00 0.00 175.22 175.35 1shq n ASP 69 N -1.38 0.29 -4.07 1.36 8.00 -1.26 -4.82 116.55 114.67 1shq n ASP 69 Ca 0.12 0.17 -0.31 0.00 0.71 0.00 0.00 54.79 55.48 1shq n ASP 69 Cb 0.50 -0.16 -0.16 0.00 -0.02 0.00 0.00 41.12 41.28 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 -3.01 2.35 0.12 1.24 0.40 -1.25 -5.07 117.98 112.76 1shq s PHE 70 Ca 0.12 -1.29 0.05 0.00 -0.60 0.00 0.00 56.93 55.21 1shq s PHE 70 Cb 0.18 -1.68 -0.04 0.00 0.51 0.00 0.00 43.02 41.99 1shq s PHE 70 CO 0.62 -0.66 -0.13 0.00 0.70 0.00 0.00 175.22 175.74 1shq s ALA 71 N 1.26 1.42 0.27 5.36 0.00 -1.26 -0.72 121.76 128.10 1shq s ALA 71 Ca 0.01 -1.27 -0.14 0.00 0.00 0.00 0.00 51.96 50.57 1shq s ALA 71 Cb -0.14 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.93 1shq s ALA 71 CO -0.09 0.08 0.54 0.00 0.00 0.00 0.00 175.76 176.30 1shq s ALA 72 N -2.17 -0.37 0.10 0.00 0.00 0.61 -4.32 121.76 115.61 1shq s ALA 72 Ca 0.08 -0.82 0.07 0.00 0.00 0.00 0.00 51.96 51.29 1shq s ALA 72 Cb -0.05 1.01 -0.04 0.00 0.00 0.00 0.00 23.12 24.04 1shq s ALA 72 CO 0.02 -0.89 -0.12 -0.51 0.00 0.00 0.00 175.76 174.26 1shq s LEU 73 N -3.02 2.95 -0.09 0.00 1.43 -0.40 -1.05 118.68 118.51 1shq s LEU 73 Ca 0.21 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 1shq s LEU 73 Cb -0.02 -1.75 0.02 0.00 0.03 0.00 0.00 46.19 44.46 1shq s LEU 73 CO 0.10 0.19 -0.11 -0.55 0.23 0.00 0.00 176.35 176.21 1shq s SER 74 N -2.10 1.98 -0.35 2.29 0.15 0.25 -1.09 113.70 114.83 1shq s SER 74 Ca 0.20 -0.32 -0.19 0.00 0.70 0.00 0.00 55.95 56.34 1shq s SER 74 Cb -0.11 -0.86 -0.00 0.00 -1.71 0.00 0.00 66.02 63.34 1shq s SER 74 CO 0.12 -0.02 0.58 -0.54 1.20 0.00 0.00 173.24 174.58 1shq s LYS 75 N 1.05 3.69 0.00 5.44 1.02 -0.13 -1.60 119.74 129.21 1shq s LYS 75 Ca -0.07 -0.01 0.23 0.00 0.02 0.00 0.00 55.97 56.14 1shq s LYS 75 Cb -0.15 -3.80 0.14 0.00 -0.52 0.00 0.00 37.83 33.51 1shq s LYS 75 CO -0.01 -0.67 1.20 0.25 -0.92 0.00 0.00 175.35 175.20 1shq n THR 76 N 5.49 0.00 -1.41 2.17 -2.24 -1.26 -1.63 114.28 115.40 1shq n THR 76 Ca -0.03 -0.45 -0.37 0.00 -2.27 0.00 0.00 64.05 60.93 1shq n THR 76 Cb 0.49 1.44 0.06 0.00 -2.10 0.00 0.00 70.33 70.21 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 1.02 -0.23 -3.62 4.78 4.11 -1.26 -4.35 117.16 117.61 1shq n TYR 77 Ca 0.13 0.40 0.00 0.00 -0.00 0.00 0.00 57.90 58.42 1shq n TYR 77 Cb 0.56 -1.99 0.00 0.00 -0.00 0.00 0.00 39.34 37.90 1shq n TYR 77 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.86 177.13 1shq n ASN 78 N -0.37 1.89 0.02 9.48 0.23 -0.65 -4.97 115.26 120.88 1shq n ASN 78 Ca 0.12 -0.67 0.11 0.00 -0.53 0.00 0.00 54.58 53.60 1shq n ASN 78 Cb 0.49 0.00 0.47 0.00 -2.08 0.00 0.00 39.78 38.66 1shq n ASN 78 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1shq n THR 79 N -0.04 0.51 -0.41 5.53 -2.24 -0.91 -3.76 114.28 112.96 1shq n THR 79 Ca 0.00 0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1shq n THR 79 Cb 0.00 -0.75 0.00 0.00 -2.10 0.00 0.00 70.33 67.48 1shq n THR 79 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1shq n ASP 80 N -1.62 0.15 -3.90 3.42 5.75 -1.26 -4.93 116.55 114.15 1shq n ASP 80 Ca 0.05 -0.61 -0.11 0.00 -0.01 0.00 0.00 54.79 54.11 1shq n ASP 80 Cb 0.27 0.12 -0.13 0.00 -1.03 0.00 0.00 41.12 40.35 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 -0.12 0.14 0.10 0.11 -0.14 -1.25 -4.99 119.74 113.59 1shq s LYS 81 Ca 0.00 -0.20 -0.16 0.00 -1.36 0.00 0.00 55.97 54.25 1shq s LYS 81 Cb 0.00 0.05 -0.07 0.00 -1.68 0.00 0.00 37.83 36.13 1shq s LYS 81 CO 0.00 -0.02 1.47 1.96 -0.76 0.00 0.00 175.35 178.00 1shq h GLN 82 N 5.56 0.63 -4.51 1.68 4.20 -1.96 -1.74 115.11 118.97 1shq h GLN 82 Ca -0.27 -0.26 -0.71 0.00 0.06 0.00 0.00 58.65 57.46 1shq h GLN 82 Cb 1.21 -0.02 -0.26 0.00 0.30 0.00 0.00 27.48 28.71 1shq h GLN 82 CO 0.47 0.84 -0.48 0.08 -0.67 0.00 0.00 178.83 179.07 1shq s VAL 83 N -4.65 4.51 0.44 -0.54 1.01 -1.26 -3.98 120.40 115.94 1shq s VAL 83 Ca -0.13 -1.08 -0.21 0.00 0.00 0.00 0.00 61.98 60.56 1shq s VAL 83 Cb 0.09 -3.62 -0.10 0.00 0.00 0.00 0.00 36.38 32.75 1shq s VAL 83 CO 0.80 -0.37 0.99 0.28 0.00 0.00 0.00 175.10 176.80 1shq s THR 84 N 1.52 4.08 0.68 3.92 -1.32 -1.26 -4.97 115.64 118.28 1shq s THR 84 Ca 0.02 1.35 -0.09 0.00 -1.21 0.00 0.00 61.69 61.76 1shq s THR 84 Cb -0.21 -3.58 0.15 0.00 -1.51 0.00 0.00 72.50 67.35 1shq s THR 84 CO 0.05 -0.22 0.93 -0.90 -2.21 0.00 0.00 174.62 172.27 1shq n ASP 85 N -0.62 0.31 0.14 8.08 5.75 -1.26 -4.87 116.55 124.07 1shq n ASP 85 Ca 0.07 -1.48 -0.00 0.00 -0.01 0.00 0.00 54.79 53.37 1shq n ASP 85 Cb 0.53 -0.69 0.16 0.00 -1.03 0.00 0.00 41.12 40.09 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 -1.09 0.00 0.08 -1.12 0.02 -1.98 -3.12 113.55 106.34 1shq h SER 86 Ca -0.30 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1shq h SER 86 Cb 0.89 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.43 1shq h SER 86 CO 0.24 0.61 -0.04 0.00 -1.14 0.00 0.00 176.83 176.49 1shq h ALA 87 N 1.39 -0.11 -0.12 3.77 0.00 -1.87 -2.19 119.26 120.13 1shq h ALA 87 Ca -0.01 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 1shq h ALA 87 Cb 1.16 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1shq h ALA 87 CO 0.08 -0.30 -0.40 0.00 0.00 0.00 0.00 179.25 178.62 1shq h ALA 88 N 0.21 1.10 -0.46 0.00 0.00 -1.68 -2.24 119.26 116.20 1shq h ALA 88 Ca -0.01 -0.41 -0.14 0.00 0.00 0.00 0.00 54.91 54.35 1shq h ALA 88 Cb 0.51 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1shq h ALA 88 CO 0.02 0.59 -0.26 0.66 0.00 0.00 0.00 179.25 180.26 1shq h SER 89 N 0.22 1.01 -0.79 0.00 4.64 -1.60 -2.07 113.55 114.96 1shq h SER 89 Ca 0.02 -0.40 -0.05 0.00 -0.47 0.00 0.00 61.79 60.89 1shq h SER 89 Cb 0.81 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.58 1shq h SER 89 CO 0.06 1.20 0.31 0.00 -0.87 0.00 0.00 176.83 177.53 1shq h ALA 90 N 0.86 1.06 -0.84 5.18 0.00 -1.01 0.11 119.26 124.61 1shq h ALA 90 Ca 0.10 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.86 1shq h ALA 90 Cb 0.84 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1shq h ALA 90 CO 0.07 0.67 0.55 1.15 0.00 0.00 0.00 179.25 181.69 1shq h THR 91 N 1.15 1.09 0.26 0.00 2.02 -1.10 0.13 112.91 116.46 1shq h THR 91 Ca 0.26 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 1shq h THR 91 Cb 0.22 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 1shq h THR 91 CO -0.02 0.18 -0.13 0.00 0.37 0.00 0.00 175.52 175.92 1shq h ALA 92 N 1.53 -0.35 -0.00 6.16 0.00 -0.21 0.60 119.26 126.99 1shq h ALA 92 Ca 0.35 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1shq h ALA 92 Cb 0.13 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1shq h ALA 92 CO -0.12 -0.46 -0.03 2.48 0.00 0.00 0.00 179.25 181.13 1shq n TYR 93 N -5.05 0.00 -0.02 0.00 0.18 0.14 -0.80 117.16 111.61 1shq n TYR 93 Ca -0.09 0.00 0.02 0.00 1.88 0.00 0.00 57.90 59.71 1shq n TYR 93 Cb 0.26 -0.39 -0.08 0.00 -0.38 0.00 0.00 39.34 38.76 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 -1.39 0.00 -0.00 -3.48 4.77 0.43 -4.08 117.00 113.25 1shq n LEU 94 Ca 0.10 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.11 1shq n LEU 94 Cb 0.30 0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.42 1shq n LEU 94 CO 0.26 0.07 -0.42 0.35 -1.33 0.00 0.00 177.39 176.32 1shq n THR 95 N -2.01 0.00 -0.19 -5.08 -2.24 0.17 -1.03 114.28 103.90 1shq n THR 95 Ca -0.06 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1shq n THR 95 Cb 0.43 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 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 1.87 0.87 3.03 3.38 0.00 0.02 -4.55 105.19 109.79 1shq n GLY 96 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.05 0.92 0.49 1.61 1.01 -1.24 -4.78 120.40 116.36 1shq s VAL 97 Ca 0.00 -0.43 -0.09 0.00 0.00 0.00 0.00 61.98 61.46 1shq s VAL 97 Cb 0.00 -0.82 -0.05 0.00 0.00 0.00 0.00 36.38 35.51 1shq s VAL 97 CO 0.00 0.28 0.85 -0.54 0.00 0.00 0.00 175.10 175.69 1shq s LYS 98 N 0.21 3.66 0.36 2.72 1.02 -1.26 -2.67 119.74 123.77 1shq s LYS 98 Ca -0.04 0.46 -0.08 0.00 0.02 0.00 0.00 55.97 56.32 1shq s LYS 98 Cb -0.10 -2.30 0.03 0.00 -0.52 0.00 0.00 37.83 34.95 1shq s LYS 98 CO 0.01 -0.23 0.63 -2.37 -0.92 0.00 0.00 175.35 172.46 1shq n THR 99 N -2.01 0.00 -1.98 2.17 5.66 -1.26 -4.37 114.28 112.49 1shq n THR 99 Ca 0.03 -1.32 -0.33 0.00 -3.05 0.00 0.00 64.05 59.38 1shq n THR 99 Cb 0.54 1.01 0.02 0.00 -1.55 0.00 0.00 70.33 70.35 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 -3.05 5.65 0.10 1.09 0.01 -1.26 -2.14 114.94 115.34 1shq s ASN 100 Ca 0.21 1.85 -0.35 0.00 -0.71 0.00 0.00 52.86 53.86 1shq s ASN 100 Cb -0.03 -2.54 -0.15 0.00 0.41 0.00 0.00 41.25 38.94 1shq s ASN 100 CO 0.16 -1.26 1.49 1.67 -1.51 0.00 0.00 177.10 177.65 1shq n GLN 101 N -2.12 1.67 -0.67 -0.60 -0.06 -1.26 -1.89 117.38 112.45 1shq n GLN 101 Ca 0.09 0.60 0.00 0.00 -2.00 0.00 0.00 57.00 55.69 1shq n GLN 101 Cb 0.53 -2.32 0.00 0.00 -4.06 0.00 0.00 30.24 24.39 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 3.08 0.81 3.71 1.69 0.00 -1.26 -4.80 105.19 108.42 1shq n GLY 102 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.13 4.57 -0.11 1.61 1.01 -0.79 -0.60 120.40 122.96 1shq s VAL 103 Ca 0.00 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 61.86 1shq s VAL 103 Cb 0.00 -2.95 0.01 0.00 0.00 0.00 0.00 36.38 33.44 1shq s VAL 103 CO 0.00 0.60 -0.17 -0.63 0.00 0.00 0.00 175.10 174.90 1shq s ILE 104 N -0.81 1.59 -1.22 2.22 1.01 -0.86 -3.27 121.20 119.86 1shq s ILE 104 Ca 0.13 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 60.07 1shq s ILE 104 Cb -0.12 -1.43 0.00 0.00 0.01 0.00 0.00 42.46 40.92 1shq s ILE 104 CO 0.03 0.46 0.00 0.61 0.00 0.00 0.00 174.94 176.03 1shq n GLY 105 N 4.06 1.25 3.27 6.18 0.00 -1.26 -1.53 105.19 117.16 1shq n GLY 105 Ca -0.20 -0.37 -0.18 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.62 2.45 0.00 0.99 1.43 -1.26 -1.90 118.68 117.77 1shq s LEU 106 Ca 0.00 -0.88 -0.08 0.00 -1.03 0.00 0.00 54.13 52.14 1shq s LEU 106 Cb 0.00 -0.58 0.16 0.00 0.03 0.00 0.00 46.19 45.80 1shq s LEU 106 CO 0.00 -0.16 1.00 -0.90 0.23 0.00 0.00 176.35 176.53 1shq n ASP 107 N 0.26 0.53 0.00 2.29 5.75 -0.23 -4.76 116.55 120.39 1shq n ASP 107 Ca -0.13 -1.64 0.07 0.00 -0.01 0.00 0.00 54.79 53.08 1shq n ASP 107 Cb 0.58 -0.72 0.41 0.00 -1.03 0.00 0.00 41.12 40.35 1shq n ASP 107 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1shq n ALA 108 N -3.38 1.97 0.25 2.12 0.00 -1.26 -1.31 120.51 118.90 1shq n ALA 108 Ca -0.16 -0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.32 1shq n ALA 108 Cb 0.49 -1.23 0.66 0.00 0.00 0.00 0.00 19.45 19.37 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 -3.08 0.00 2.35 -1.95 -3.45 115.58 109.45 1shq h ASN 109 Ca 0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 1shq h ASN 109 Cb 0.03 0.00 0.07 0.00 0.05 0.00 0.00 38.32 38.48 1shq h ASN 109 CO 0.00 0.14 0.94 -0.89 -1.65 0.00 0.00 177.43 175.97 1shq s THR 110 N -3.95 2.03 -0.24 2.81 2.01 -0.43 -4.98 115.64 112.89 1shq s THR 110 Ca -0.01 0.02 -0.13 0.00 0.31 0.00 0.00 61.69 61.88 1shq s THR 110 Cb 0.12 -3.01 -0.05 0.00 0.01 0.00 0.00 72.50 69.57 1shq s THR 110 CO 0.59 0.00 0.26 -0.69 -0.69 0.00 0.00 174.62 174.09 1shq s VAL 111 N 0.45 5.29 0.28 3.82 1.01 -1.26 -4.89 120.40 125.10 1shq s VAL 111 Ca 0.68 0.37 -0.30 0.00 0.00 0.00 0.00 61.98 62.73 1shq s VAL 111 Cb -0.49 -3.59 -0.12 0.00 0.00 0.00 0.00 36.38 32.18 1shq s VAL 111 CO 0.42 0.29 1.54 -1.14 0.00 0.00 0.00 175.10 176.21 1shq n ARG 112 N 4.54 2.54 -0.76 2.72 0.63 -1.26 -2.39 116.66 122.68 1shq n ARG 112 Ca -0.12 0.90 0.00 0.00 -0.92 0.00 0.00 57.85 57.71 1shq n ARG 112 Cb 0.52 -2.65 0.00 0.00 0.45 0.00 0.00 32.46 30.77 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 2.01 0.00 -3.35 5.15 -1.04 -0.27 -4.98 114.28 111.79 1shq n THR 113 Ca 0.09 0.00 -0.46 0.00 -2.04 0.00 0.00 64.05 61.64 1shq n THR 113 Cb 0.36 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.82 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 -3.08 6.29 0.51 8.00 3.84 -1.00 -4.93 114.94 124.56 1shq s ASN 114 Ca 0.00 -2.11 0.25 0.00 0.21 0.00 0.00 52.86 51.20 1shq s ASN 114 Cb 0.00 -2.18 1.35 0.00 -0.55 0.00 0.00 41.25 39.87 1shq s ASN 114 CO 0.00 -0.74 1.96 0.00 -2.79 0.00 0.00 177.10 175.53 1shq h SER 116 N 0.07 0.61 0.18 0.00 0.02 -1.95 0.16 113.55 112.64 1shq h SER 116 Ca 0.30 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.32 1shq h SER 116 Cb 1.11 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.62 1shq h SER 116 CO -0.02 0.20 -0.10 1.88 -1.14 0.00 0.00 176.83 177.65 1shq h TYR 117 N 0.58 0.00 -0.00 3.45 -1.99 -1.61 -2.22 116.97 115.18 1shq h TYR 117 Ca 0.56 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.29 1shq h TYR 117 Cb 1.12 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.85 1shq h TYR 117 CO -0.00 0.10 -0.00 0.00 -0.00 0.00 0.00 178.16 178.25 1shq n GLN 118 N -4.00 0.84 0.00 4.88 10.64 0.55 -2.34 117.38 127.96 1shq n GLN 118 Ca -0.02 -0.03 0.11 0.00 -1.83 0.00 0.00 57.00 55.23 1shq n GLN 118 Cb 0.18 -1.50 0.12 0.00 -0.86 0.00 0.00 30.24 28.19 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 -1.06 0.74 -4.30 2.61 4.77 -0.84 -4.77 117.00 114.16 1shq n LEU 119 Ca 0.21 -0.21 -0.46 0.00 -0.03 0.00 0.00 56.01 55.52 1shq n LEU 119 Cb 0.16 -0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 41.05 1shq n LEU 119 CO 0.20 0.18 0.15 -0.62 -1.33 0.00 0.00 177.39 175.97 1shq s ASP 120 N -2.96 6.20 0.58 -1.43 -1.08 -0.99 -4.92 116.67 112.08 1shq s ASP 120 Ca 0.11 -1.89 0.28 0.00 -0.52 0.00 0.00 52.55 50.53 1shq s ASP 120 Cb 0.17 -2.19 1.53 0.00 -1.46 0.00 0.00 42.92 40.97 1shq s ASP 120 CO 0.74 -0.82 1.97 -0.33 0.52 0.00 0.00 175.17 177.26 1shq h GLU 121 N 8.74 0.00 0.00 4.34 5.08 -1.87 0.43 114.58 131.30 1shq h GLU 121 Ca -0.25 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.08 1shq h GLU 121 Cb 1.09 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 1shq h GLU 121 CO 1.00 0.00 -0.12 0.66 -1.00 0.00 0.00 179.01 179.55 1shq h SER 122 N 0.00 0.00 -0.19 1.42 4.64 -1.95 -2.32 113.55 115.14 1shq h SER 122 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1shq h SER 122 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1shq h SER 122 CO -0.00 0.12 0.00 0.18 -0.87 0.00 0.00 176.83 176.25 1shq n LEU 123 N -3.41 1.86 -4.76 5.97 4.77 0.14 -4.96 117.00 116.62 1shq n LEU 123 Ca -0.01 -0.79 -0.40 0.00 -0.03 0.00 0.00 56.01 54.78 1shq n LEU 123 Cb 0.29 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.22 1shq n LEU 123 CO 0.29 0.39 0.82 -0.36 -1.33 0.00 0.00 177.39 177.21 1shq s PHE 124 N -1.75 3.51 0.04 -1.77 0.40 -0.88 -1.07 117.98 116.47 1shq s PHE 124 Ca 0.33 1.64 0.05 0.00 -0.60 0.00 0.00 56.93 58.35 1shq s PHE 124 Cb 0.18 -3.34 -0.04 0.00 0.51 0.00 0.00 43.02 40.34 1shq s PHE 124 CO 0.26 -0.74 -0.10 0.95 0.70 0.00 0.00 175.22 176.29 1shq s THR 125 N -1.00 3.38 -0.07 0.64 -4.23 -0.80 -4.84 115.64 108.72 1shq s THR 125 Ca 0.46 -1.01 0.02 0.00 -1.18 0.00 0.00 61.69 59.98 1shq s THR 125 Cb -0.33 -2.50 -0.03 0.00 1.34 0.00 0.00 72.50 70.99 1shq s THR 125 CO 0.41 0.29 -0.11 -0.31 -0.54 0.00 0.00 174.62 174.37 1shq s TYR 126 N -1.05 2.81 0.55 3.99 2.02 -1.26 -4.76 117.35 119.65 1shq s TYR 126 Ca 0.18 -0.16 -0.08 0.00 -0.37 0.00 0.00 57.07 56.64 1shq s TYR 126 Cb -0.11 -1.70 -0.04 0.00 -0.40 0.00 0.00 41.96 39.71 1shq s TYR 126 CO 0.09 0.18 0.92 -1.54 -1.57 0.00 0.00 175.55 173.62 1shq s SER 127 N -0.57 6.25 0.57 2.29 1.04 -1.26 -4.44 113.70 117.58 1shq s SER 127 Ca 0.08 1.19 0.25 0.00 0.48 0.00 0.00 55.95 57.96 1shq s SER 127 Cb -0.12 -2.37 1.63 0.00 0.10 0.00 0.00 66.02 65.26 1shq s SER 127 CO 0.02 -0.73 2.20 -0.29 0.98 0.00 0.00 173.24 175.42 1shq h ILE 128 N -0.04 0.67 -0.51 -1.02 2.10 -1.41 -1.06 117.51 116.25 1shq h ILE 128 Ca -0.45 0.00 -0.12 0.00 1.08 0.00 0.00 64.86 65.36 1shq h ILE 128 Cb 1.20 0.97 -0.01 0.00 -1.09 0.00 0.00 36.82 37.88 1shq h ILE 128 CO 0.62 0.00 -0.16 0.00 -1.08 0.00 0.00 178.15 177.53 1shq h ALA 129 N 1.96 0.70 -0.53 0.18 0.00 -1.85 -0.63 119.26 119.11 1shq h ALA 129 Ca 0.02 -0.37 0.06 0.00 0.00 0.00 0.00 54.91 54.62 1shq h ALA 129 Cb 0.09 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 1shq h ALA 129 CO -0.00 0.66 0.22 1.25 0.00 0.00 0.00 179.25 181.38 1shq h HIS 130 N 0.87 0.40 -0.48 0.00 -0.00 -1.45 -1.29 115.15 113.20 1shq h HIS 130 Ca 0.12 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.48 1shq h HIS 130 Cb 0.73 -0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 28.02 1shq h HIS 130 CO 0.05 0.15 0.14 -1.49 -0.00 0.00 0.00 177.93 176.78 1shq h TRP 131 N 0.43 0.78 -0.77 5.26 -0.00 -1.24 -0.46 115.95 119.94 1shq h TRP 131 Ca 0.25 -0.08 0.02 0.00 -0.00 0.00 0.00 58.89 59.07 1shq h TRP 131 Cb 0.23 -0.22 -0.04 0.00 -0.00 0.00 0.00 29.16 29.13 1shq h TRP 131 CO -0.14 0.69 0.50 0.74 -0.00 0.00 0.00 178.44 180.24 1shq h PHE 132 N 0.64 0.95 0.20 0.49 -1.00 -0.82 -2.29 116.94 115.11 1shq h PHE 132 Ca 0.15 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.96 1shq h PHE 132 Cb 0.29 -0.32 -0.02 0.00 3.61 0.00 0.00 35.95 39.51 1shq h PHE 132 CO 0.02 0.58 -0.20 1.96 -1.61 0.00 0.00 178.31 179.06 1shq h GLN 133 N 1.01 -0.41 -0.61 1.51 4.20 -0.57 -0.94 115.11 119.30 1shq h GLN 133 Ca 0.29 0.03 0.18 0.00 0.06 0.00 0.00 58.65 59.21 1shq h GLN 133 Cb -0.06 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1shq h GLN 133 CO -0.08 -0.27 0.46 0.93 -0.67 0.00 0.00 178.83 179.19 1shq h GLU 134 N -0.43 0.00 -0.40 1.46 4.39 -0.98 0.57 114.58 119.21 1shq h GLU 134 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1shq h GLU 134 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1shq h GLU 134 CO -0.04 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.81 1shq n ALA 135 N -2.61 2.44 -1.83 3.43 0.00 -0.69 -4.92 120.51 116.32 1shq n ALA 135 Ca 0.12 -0.69 -0.06 0.00 0.00 0.00 0.00 53.44 52.80 1shq n ALA 135 Cb 0.70 -0.97 -0.01 0.00 0.00 0.00 0.00 19.45 19.17 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 1.13 0.34 3.48 0.00 0.00 0.20 -5.05 105.19 105.30 1shq n GLY 136 Ca 0.13 -0.68 -0.25 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.75 1.72 0.49 1.61 0.52 -0.44 -4.90 118.95 114.19 1shq s ARG 137 Ca 0.00 -1.67 -0.07 0.00 -0.52 0.00 0.00 55.73 53.48 1shq s ARG 137 Cb 0.00 -1.84 -0.04 0.00 0.52 0.00 0.00 34.95 33.59 1shq s ARG 137 CO 0.00 0.35 0.82 -1.12 0.02 0.00 0.00 175.30 175.38 1shq s SER 138 N -3.32 6.29 0.03 0.23 0.01 -1.04 -3.66 113.70 112.24 1shq s SER 138 Ca 0.28 1.04 -0.06 0.00 1.31 0.00 0.00 55.95 58.51 1shq s SER 138 Cb -0.06 -2.29 -0.01 0.00 0.21 0.00 0.00 66.02 63.87 1shq s SER 138 CO 0.14 -0.60 0.11 0.42 0.41 0.00 0.00 173.24 173.72 1shq s THR 139 N -2.77 0.12 0.26 1.44 -4.23 -1.26 -1.02 115.64 108.19 1shq s THR 139 Ca 0.49 -0.96 -0.22 0.00 -1.18 0.00 0.00 61.69 59.82 1shq s THR 139 Cb -0.10 -0.75 0.03 0.00 1.34 0.00 0.00 72.50 73.01 1shq s THR 139 CO 0.45 -0.53 0.75 -0.83 -0.54 0.00 0.00 174.62 173.91 1shq s GLY 140 N -1.91 -0.12 -0.09 3.99 0.00 -0.52 -0.69 107.32 107.98 1shq s GLY 140 Ca -0.08 -0.23 -0.08 0.00 0.00 0.00 0.00 44.72 44.33 1shq s GLY 140 CO -0.03 -0.07 0.24 0.54 0.00 0.00 0.00 173.10 173.78 1shq s VAL 141 N -3.84 -0.01 -0.03 1.40 0.11 -0.86 -2.11 120.40 115.06 1shq s VAL 141 Ca 0.11 0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.20 1shq s VAL 141 Cb -0.05 -0.35 0.01 0.00 -1.53 0.00 0.00 36.38 34.46 1shq s VAL 141 CO 0.06 0.01 -0.08 -0.69 -3.33 0.00 0.00 175.10 171.07 1shq s VAL 142 N 0.28 0.74 0.13 2.04 1.01 0.20 -1.27 120.40 123.53 1shq s VAL 142 Ca -0.01 -0.31 -0.18 0.00 0.00 0.00 0.00 61.98 61.48 1shq s VAL 142 Cb -0.03 -0.68 0.05 0.00 0.00 0.00 0.00 36.38 35.71 1shq s VAL 142 CO -0.01 0.25 0.46 0.28 0.00 0.00 0.00 175.10 176.07 1shq s THR 143 N 0.41 0.05 -1.50 3.92 -1.32 -0.16 -0.84 115.64 116.19 1shq s THR 143 Ca -0.06 -0.41 0.27 0.00 -1.21 0.00 0.00 61.69 60.27 1shq s THR 143 Cb -0.11 -1.11 0.24 0.00 -1.51 0.00 0.00 72.50 70.01 1shq s THR 143 CO 0.01 -0.23 1.61 -1.54 -2.21 0.00 0.00 174.62 172.26 1shq n SER 144 N -0.25 0.72 -4.92 8.08 3.41 -1.13 -3.88 113.62 115.64 1shq n SER 144 Ca -0.16 -0.59 -0.21 0.00 -0.26 0.00 0.00 58.87 57.65 1shq n SER 144 Cb 0.64 0.09 0.08 0.00 -0.26 0.00 0.00 64.21 64.75 1shq n SER 144 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1shq s THR 145 N -2.65 2.12 0.53 6.66 -4.23 -1.26 -1.10 115.64 115.70 1shq s THR 145 Ca 0.21 -0.88 -0.21 0.00 -1.18 0.00 0.00 61.69 59.63 1shq s THR 145 Cb 0.19 -2.24 -0.07 0.00 1.34 0.00 0.00 72.50 71.72 1shq s THR 145 CO 0.56 0.00 0.99 0.54 -0.54 0.00 0.00 174.62 176.17 1shq n ARG 146 N -2.43 1.13 0.00 3.99 1.74 -1.26 -1.50 116.66 118.32 1shq n ARG 146 Ca 0.16 0.42 0.11 0.00 -0.77 0.00 0.00 57.85 57.76 1shq n ARG 146 Cb 0.61 -2.13 0.51 0.00 -1.02 0.00 0.00 32.46 30.43 1shq n ARG 146 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1shq n VAL 147 N -1.20 0.41 0.57 1.55 0.24 0.63 -1.70 118.33 118.83 1shq n VAL 147 Ca 0.11 0.10 0.12 0.00 -2.04 0.00 0.00 64.34 62.63 1shq n VAL 147 Cb 0.44 -0.73 0.25 0.00 -1.47 0.00 0.00 33.84 32.33 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 -1.40 0.41 -1.51 3.34 -2.24 -1.26 -4.26 114.28 107.36 1shq n THR 148 Ca 0.08 -0.64 -0.29 0.00 -2.27 0.00 0.00 64.05 60.93 1shq n THR 148 Cb 0.22 0.85 0.12 0.00 -2.10 0.00 0.00 70.33 69.42 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 -1.59 2.59 0.23 4.78 2.46 -0.69 -4.69 115.29 118.39 1shq s HIS 149 Ca 0.37 0.98 -0.06 0.00 0.47 0.00 0.00 55.06 56.82 1shq s HIS 149 Cb 0.21 -3.28 0.39 0.00 -0.13 0.00 0.00 32.58 29.78 1shq s HIS 149 CO 0.30 -2.19 1.75 0.00 -2.47 0.00 0.00 174.74 172.13 1shq h ALA 150 N -1.38 1.01 0.59 1.58 0.00 -1.89 -1.08 119.26 118.09 1shq h ALA 150 Ca -0.50 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 1shq h ALA 150 Cb 1.31 0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.13 1shq h ALA 150 CO 0.61 -0.14 -0.28 1.15 0.00 0.00 0.00 179.25 180.58 1shq h THR 151 N 0.51 0.00 -0.74 0.00 2.02 -1.92 -0.59 112.91 112.19 1shq h THR 151 Ca 0.38 -0.08 0.09 0.00 0.77 0.00 0.00 66.41 67.57 1shq h THR 151 Cb 0.50 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.86 1shq h THR 151 CO -0.34 0.00 0.49 1.55 0.37 0.00 0.00 175.52 177.59 1shq h PRO 152 N -0.87 0.66 -0.06 6.66 0.13 -1.82 -2.03 132.00 134.66 1shq h PRO 152 Ca -0.08 -0.04 0.02 0.00 -0.87 0.00 0.00 66.00 65.03 1shq h PRO 152 Cb 0.61 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 31.59 1shq h PRO 152 CO 0.13 0.43 0.04 0.00 -0.23 0.00 0.00 178.00 178.38 1shq h ALA 153 N 1.62 2.05 -0.10 -0.56 0.00 -0.94 -0.09 119.26 121.25 1shq h ALA 153 Ca 0.34 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.27 1shq h ALA 153 Cb 0.42 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1shq h ALA 153 CO -0.12 -0.07 0.11 0.78 0.00 0.00 0.00 179.25 179.95 1shq h GLY 154 N 0.01 0.00 2.00 0.00 0.00 -0.33 0.48 103.07 105.23 1shq h GLY 154 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1shq h GLY 154 CO -0.00 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.24 1shq n THR 155 N -3.83 0.58 0.00 4.70 -2.24 -0.05 -4.55 114.28 108.90 1shq n THR 155 Ca -0.01 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1shq n THR 155 Cb 0.22 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.73 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 -2.13 0.00 -3.49 4.78 0.18 -0.32 -4.53 117.16 111.66 1shq n TYR 156 Ca 0.05 0.00 -0.23 0.00 1.88 0.00 0.00 57.90 59.60 1shq n TYR 156 Cb 0.37 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.31 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 -0.35 3.75 -0.32 -3.48 0.00 0.15 -4.37 121.76 117.15 1shq s ALA 157 Ca 0.00 -0.99 -0.02 0.00 0.00 0.00 0.00 51.96 50.96 1shq s ALA 157 Cb 0.00 -2.03 0.11 0.00 0.00 0.00 0.00 23.12 21.20 1shq s ALA 157 CO 0.00 0.02 0.15 -1.01 0.00 0.00 0.00 175.76 174.92 1shq s HIS 158 N -2.26 0.98 0.07 0.00 3.76 -1.26 -4.00 115.29 112.59 1shq s HIS 158 Ca 0.39 -1.44 0.02 0.00 -0.15 0.00 0.00 55.06 53.88 1shq s HIS 158 Cb -0.09 -1.25 -0.03 0.00 1.11 0.00 0.00 32.58 32.32 1shq s HIS 158 CO 0.35 -0.84 -0.07 0.14 -0.85 0.00 0.00 174.74 173.46 1shq s VAL 159 N 1.58 0.62 -0.99 -0.90 -7.23 -0.58 -4.89 120.40 108.00 1shq s VAL 159 Ca 0.12 -1.43 0.26 0.00 -1.81 0.00 0.00 61.98 59.13 1shq s VAL 159 Cb -0.19 -1.05 0.08 0.00 0.56 0.00 0.00 36.38 35.79 1shq s VAL 159 CO -0.22 -0.57 1.59 0.00 -0.31 0.00 0.00 175.10 175.58 1shq n ALA 160 N 0.86 3.13 -3.67 1.32 0.00 -1.26 -2.02 120.51 118.87 1shq n ALA 160 Ca -0.19 -0.26 -0.12 0.00 0.00 0.00 0.00 53.44 52.87 1shq n ALA 160 Cb 0.57 -1.24 -0.12 0.00 0.00 0.00 0.00 19.45 18.66 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 -3.02 0.15 0.49 0.00 -1.08 -1.26 -1.12 116.67 110.83 1shq s ASP 161 Ca 0.12 0.68 0.32 0.00 -0.52 0.00 0.00 52.55 53.15 1shq s ASP 161 Cb 0.18 0.81 1.76 0.00 -1.46 0.00 0.00 42.92 44.21 1shq s ASP 161 CO 0.64 -0.23 1.99 0.08 0.52 0.00 0.00 175.17 178.17 1shq h ARG 162 N 8.14 0.00 0.00 4.34 0.11 -1.13 0.62 114.38 126.46 1shq h ARG 162 Ca -0.17 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.91 1shq h ARG 162 Cb 1.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.20 1shq h ARG 162 CO 0.16 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 179.98 1shq n ASP 163 N -2.64 0.55 -2.96 0.08 8.00 -1.26 -4.16 116.55 114.16 1shq n ASP 163 Ca -0.02 0.66 -0.32 0.00 0.71 0.00 0.00 54.79 55.83 1shq n ASP 163 Cb 0.06 -0.77 -0.06 0.00 -0.02 0.00 0.00 41.12 40.33 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 -2.14 1.80 0.02 1.24 8.01 0.21 -4.54 117.44 122.04 1shq n TRP 164 Ca 0.01 -2.59 -0.11 0.00 -1.31 0.00 0.00 57.50 53.50 1shq n TRP 164 Cb 0.17 -2.10 0.02 0.00 -2.01 0.00 0.00 31.31 27.39 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 4.31 0.54 -4.89 -0.99 5.08 -1.85 0.22 114.58 117.00 1shq h GLU 165 Ca 0.65 -0.41 -0.44 0.00 -1.00 0.00 0.00 59.36 58.17 1shq h GLU 165 Cb 0.61 0.07 -0.14 0.00 0.50 0.00 0.00 28.75 29.80 1shq h GLU 165 CO 1.30 1.03 -0.53 0.54 -1.00 0.00 0.00 179.01 180.34 1shq s ASN 166 N -6.98 1.65 0.35 1.42 2.20 -1.26 -1.73 114.94 110.58 1shq s ASN 166 Ca -0.07 -1.63 0.12 0.00 -0.94 0.00 0.00 52.86 50.34 1shq s ASN 166 Cb 0.10 0.46 0.66 0.00 -2.00 0.00 0.00 41.25 40.47 1shq s ASN 166 CO 0.85 -0.95 1.80 -2.24 -2.94 0.00 0.00 177.10 173.62 1shq h ASP 167 N 2.16 0.04 -0.04 3.54 2.03 -1.89 -1.70 116.42 120.56 1shq h ASP 167 Ca -0.31 -0.01 -0.01 0.00 -0.73 0.00 0.00 57.03 55.96 1shq h ASP 167 Cb 1.25 -0.01 -0.01 0.00 -0.83 0.00 0.00 39.33 39.73 1shq h ASP 167 CO 0.47 0.43 0.00 0.77 -1.03 0.00 0.00 179.24 179.89 1shq h SER 168 N 0.03 0.11 -0.41 4.15 4.64 -1.94 -1.29 113.55 118.84 1shq h SER 168 Ca 0.00 -0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 61.16 1shq h SER 168 Cb 0.70 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.76 1shq h SER 168 CO 0.05 0.13 -0.34 0.44 -0.87 0.00 0.00 176.83 176.25 1shq h ASP 169 N 0.12 1.01 -0.47 4.97 3.32 -1.61 -2.06 116.42 121.70 1shq h ASP 169 Ca 0.03 -0.45 -0.01 0.00 0.02 0.00 0.00 57.03 56.62 1shq h ASP 169 Cb 0.08 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 1shq h ASP 169 CO 0.00 1.25 0.24 0.58 -1.72 0.00 0.00 179.24 179.59 1shq h VAL 170 N 0.79 1.18 -0.67 -1.35 2.07 -1.27 -2.74 116.25 114.26 1shq h VAL 170 Ca 0.07 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1shq h VAL 170 Cb 0.93 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1shq h VAL 170 CO 0.09 0.19 0.39 0.58 0.02 0.00 0.00 177.57 178.84 1shq h VAL 171 N 0.62 1.20 -0.37 2.57 2.07 -1.27 -1.81 116.25 119.26 1shq h VAL 171 Ca 0.16 -0.47 0.08 0.00 0.82 0.00 0.00 66.70 67.30 1shq h VAL 171 Cb 0.09 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 1shq h VAL 171 CO -0.02 0.21 0.26 -0.74 0.02 0.00 0.00 177.57 177.30 1shq h HIS 172 N 0.91 0.15 -0.41 1.57 6.17 -1.11 0.53 115.15 122.96 1shq h HIS 172 Ca 0.24 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.32 1shq h HIS 172 Cb 0.00 -0.05 0.00 0.00 2.52 0.00 0.00 27.41 29.88 1shq h HIS 172 CO -0.01 0.08 0.00 -0.25 0.71 0.00 0.00 177.93 178.46 1shq n ASP 173 N -4.46 2.40 -1.48 3.26 8.00 -0.73 -4.92 116.55 118.61 1shq n ASP 173 Ca 0.05 -2.05 -0.15 0.00 0.71 0.00 0.00 54.79 53.35 1shq n ASP 173 Cb 0.34 -0.31 -0.03 0.00 -0.02 0.00 0.00 41.12 41.10 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 0.69 -1.12 -3.43 -1.24 5.12 0.18 -5.00 116.66 111.86 1shq n ARG 174 Ca 0.14 0.82 -0.19 0.00 -1.93 0.00 0.00 57.85 56.69 1shq n ARG 174 Cb 0.40 -5.06 -0.01 0.00 -1.16 0.00 0.00 32.46 26.63 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 -4.22 2.93 -0.51 5.56 0.41 -0.91 -5.04 118.70 116.92 1shq s GLU 175 Ca 0.00 -1.16 -0.20 0.00 -0.41 0.00 0.00 54.97 53.20 1shq s GLU 175 Cb 0.00 -2.71 0.05 0.00 -1.78 0.00 0.00 34.13 29.70 1shq s GLU 175 CO 0.00 -0.03 0.67 0.34 -0.49 0.00 0.00 175.26 175.75 1shq s ASP 176 N -4.18 6.24 0.44 -0.19 2.15 -1.26 -4.24 116.67 115.63 1shq s ASP 176 Ca 0.47 -0.81 0.30 0.00 0.43 0.00 0.00 52.55 52.94 1shq s ASP 176 Cb -0.08 -2.31 1.51 0.00 -0.30 0.00 0.00 42.92 41.74 1shq s ASP 176 CO 0.30 -0.94 1.92 -0.65 -0.17 0.00 0.00 175.17 175.64 1shq h PRO 177 N 9.04 0.00 0.00 4.34 0.11 -1.91 0.45 132.00 144.03 1shq h PRO 177 Ca -0.27 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.67 1shq h PRO 177 Cb 1.09 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1shq h PRO 177 CO 0.98 0.00 -0.79 0.93 -0.21 0.00 0.00 178.00 178.91 1shq h GLU 178 N 0.00 0.00 0.00 1.05 5.08 -2.00 -3.31 114.58 115.40 1shq h GLU 178 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1shq h GLU 178 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1shq h GLU 178 CO 0.00 0.79 -0.45 0.44 -1.00 0.00 0.00 179.01 178.79 1shq n ILE 179 N -3.59 0.00 -3.24 3.13 -5.35 -0.28 -4.88 119.36 105.15 1shq n ILE 179 Ca -0.01 -0.31 -0.46 0.00 -0.27 0.00 0.00 62.75 61.71 1shq n ILE 179 Cb 0.76 0.81 -0.03 0.00 -1.74 0.00 0.00 39.64 39.43 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 3.01 6.83 0.91 0.00 1.01 -1.26 -4.54 116.67 122.62 1shq s ASP 181 Ca 0.14 2.12 -0.13 0.00 0.71 0.00 0.00 52.55 55.38 1shq s ASP 181 Cb -0.18 -2.56 0.14 0.00 1.01 0.00 0.00 42.92 41.34 1shq s ASP 181 CO -0.03 -0.75 1.19 1.51 0.21 0.00 0.00 175.17 177.30 1shq s ASP 182 N 2.03 3.58 0.17 0.27 1.47 -1.26 -4.85 116.67 118.08 1shq s ASP 182 Ca 0.65 0.74 -0.10 0.00 1.18 0.00 0.00 52.55 55.01 1shq s ASP 182 Cb -0.31 -1.16 0.04 0.00 -0.34 0.00 0.00 42.92 41.15 1shq s ASP 182 CO 0.26 -2.48 1.62 0.40 0.68 0.00 0.00 175.17 175.64 1shq h ILE 183 N -1.46 1.27 -0.34 2.11 2.04 -0.92 -1.64 117.51 118.57 1shq h ILE 183 Ca -0.47 -1.15 -0.00 0.00 1.00 0.00 0.00 64.86 64.23 1shq h ILE 183 Cb 1.31 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 1shq h ILE 183 CO 0.57 0.41 0.21 0.00 0.00 0.00 0.00 178.15 179.34 1shq h ALA 184 N 0.96 0.43 -0.47 1.87 0.00 -1.60 -1.56 119.26 118.89 1shq h ALA 184 Ca 0.15 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.11 1shq h ALA 184 Cb 0.57 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.14 1shq h ALA 184 CO 0.03 -0.07 -0.03 0.93 0.00 0.00 0.00 179.25 180.10 1shq h GLU 185 N 0.44 0.08 -0.29 0.00 5.08 -1.76 -2.24 114.58 115.88 1shq h GLU 185 Ca 0.12 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1shq h GLU 185 Cb -0.00 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1shq h GLU 185 CO -0.02 0.05 0.08 1.96 -1.00 0.00 0.00 179.01 180.07 1shq h GLN 186 N 0.08 0.42 -0.33 2.33 4.20 -0.81 0.83 115.11 121.82 1shq h GLN 186 Ca 0.24 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.77 1shq h GLN 186 Cb 0.36 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1shq h GLN 186 CO -0.42 0.39 -0.28 1.25 -0.67 0.00 0.00 178.83 179.09 1shq h LEU 187 N 0.41 0.71 0.15 1.46 5.85 -0.70 -2.37 115.31 120.83 1shq h LEU 187 Ca 0.10 -0.27 -0.35 0.00 0.84 0.00 0.00 57.88 58.20 1shq h LEU 187 Cb 0.15 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 1shq h LEU 187 CO -0.00 0.96 -1.79 0.58 -0.34 0.00 0.00 178.44 177.84 1shq h VAL 188 N 0.60 0.87 0.00 1.05 2.07 -1.16 -2.17 116.25 117.51 1shq h VAL 188 Ca 0.07 -2.51 0.00 0.00 0.82 0.00 0.00 66.70 65.08 1shq h VAL 188 Cb 0.78 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 33.22 1shq h VAL 188 CO 0.06 0.85 -1.56 0.49 0.02 0.00 0.00 177.57 177.43 1shq n PHE 189 N -3.51 0.11 -4.51 1.57 3.72 0.24 -4.43 117.46 110.65 1shq n PHE 189 Ca -0.25 0.03 -0.24 0.00 -0.05 0.00 0.00 57.45 56.93 1shq n PHE 189 Cb 1.06 -0.41 -0.10 0.00 -0.94 0.00 0.00 39.48 39.09 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 1.73 0.32 -1.08 0.52 -0.89 -4.92 118.95 111.29 1shq s ARG 190 Ca -0.02 -1.89 -0.09 0.00 -0.52 0.00 0.00 55.73 53.20 1shq s ARG 190 Cb 0.14 -1.50 -0.06 0.00 0.52 0.00 0.00 34.95 34.05 1shq s ARG 190 CO 0.88 0.09 0.65 -1.83 0.02 0.00 0.00 175.30 175.11 1shq s GLU 191 N -3.66 3.76 0.00 3.54 4.04 -1.26 -0.74 118.70 124.38 1shq s GLU 191 Ca 0.32 0.31 0.29 0.00 0.04 0.00 0.00 54.97 55.92 1shq s GLU 191 Cb 0.03 -2.53 1.20 0.00 0.02 0.00 0.00 34.13 32.86 1shq s GLU 191 CO 0.15 0.14 1.86 -0.35 -1.84 0.00 0.00 175.26 175.21 1shq n PRO 192 N -0.84 0.49 -0.30 -4.83 -0.04 -1.26 -4.89 135.00 123.32 1shq n PRO 192 Ca 0.01 -0.14 0.02 0.00 -0.04 0.00 0.00 63.50 63.34 1shq n PRO 192 Cb 0.54 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.65 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 1.27 2.00 0.55 0.00 -1.69 -2.00 103.07 108.18 1shq h GLY 193 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1shq h GLY 193 CO 0.00 0.20 0.00 0.07 0.00 0.00 0.00 176.54 176.81 1shq h LYS 194 N 0.88 0.00 -0.00 4.80 2.10 -0.25 -1.89 116.57 122.21 1shq h LYS 194 Ca 0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.03 1shq h LYS 194 Cb 0.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.58 1shq h LYS 194 CO -0.20 0.00 -0.73 0.09 -2.00 0.00 0.00 179.45 176.61 1shq n ASN 195 N -2.55 1.16 -4.67 7.07 5.03 -0.76 -4.96 115.26 115.59 1shq n ASN 195 Ca -0.02 -1.08 -0.45 0.00 0.87 0.00 0.00 54.58 53.91 1shq n ASN 195 Cb 0.07 0.84 -0.02 0.00 -1.02 0.00 0.00 39.78 39.65 1shq n ASN 195 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1shq n PHE 196 N -1.02 2.15 0.08 3.10 3.01 -0.71 -4.72 117.46 119.36 1shq n PHE 196 Ca 0.05 0.45 -0.08 0.00 1.01 0.00 0.00 57.45 58.88 1shq n PHE 196 Cb 0.32 -2.45 -0.04 0.00 -0.01 0.00 0.00 39.48 37.30 1shq n PHE 196 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1shq h LYS 197 N 4.04 0.12 -4.48 -1.08 1.79 -1.22 -3.46 116.57 112.28 1shq h LYS 197 Ca -0.45 -0.15 -0.41 0.00 -2.18 0.00 0.00 60.65 57.46 1shq h LYS 197 Cb 1.28 0.05 -0.31 0.00 -1.58 0.00 0.00 32.23 31.67 1shq h LYS 197 CO 0.74 0.96 -0.78 0.08 -1.08 0.00 0.00 179.45 179.37 1shq s VAL 198 N -3.02 0.71 -0.11 0.50 1.01 -1.23 -0.42 120.40 117.85 1shq s VAL 198 Ca -0.01 -0.31 -0.03 0.00 0.00 0.00 0.00 61.98 61.62 1shq s VAL 198 Cb 0.10 -0.64 0.05 0.00 0.00 0.00 0.00 36.38 35.88 1shq s VAL 198 CO 0.82 0.23 0.09 -0.63 0.00 0.00 0.00 175.10 175.61 1shq s ILE 199 N 0.26 -0.12 -0.01 2.22 1.01 0.27 -2.04 121.20 122.79 1shq s ILE 199 Ca -0.04 0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.77 1shq s ILE 199 Cb -0.09 -0.37 0.00 0.00 0.01 0.00 0.00 42.46 42.02 1shq s ILE 199 CO 0.00 -0.04 -0.05 -0.04 0.00 0.00 0.00 174.94 174.82 1shq s MET 200 N 2.17 0.44 0.00 2.79 -1.94 -0.40 0.15 119.30 122.52 1shq s MET 200 Ca 0.04 -0.16 0.00 0.00 -1.71 0.00 0.00 55.69 53.86 1shq s MET 200 Cb -0.14 -0.45 0.00 0.00 2.01 0.00 0.00 34.83 36.26 1shq s MET 200 CO -0.06 0.08 0.00 0.41 -0.01 0.00 0.00 175.02 175.43 1shq n GLY 201 N 3.13 -0.46 0.00 -0.03 0.00 -0.47 -0.99 105.19 106.36 1shq n GLY 201 Ca -0.15 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 4.22 0.67 -0.02 0.00 -0.57 -0.68 105.19 108.82 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 1.14 0.40 -0.02 0.00 0.17 -0.27 105.19 111.61 1shq n GLY 203 Ca 0.00 -0.33 0.27 0.00 0.00 0.00 0.00 46.02 45.96 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 0.29 -0.97 1.61 3.08 -1.01 -1.82 114.38 115.57 1shq h ARG 204 Ca 0.00 -0.02 0.28 0.00 0.07 0.00 0.00 59.98 60.31 1shq h ARG 204 Cb 0.18 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 1shq h ARG 204 CO 0.00 0.19 0.73 0.07 -1.07 0.00 0.00 179.97 179.89 1shq h ARG 205 N 0.30 0.00 -0.00 0.04 0.11 -1.54 0.16 114.38 113.46 1shq h ARG 205 Ca 0.70 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.78 1shq h ARG 205 Cb 1.83 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.91 1shq h ARG 205 CO -0.42 0.00 -0.02 0.41 0.10 0.00 0.00 179.97 180.05 1shq n GLY 206 N -1.71 -0.83 0.16 0.08 0.00 -0.68 -1.60 105.19 100.60 1shq n GLY 206 Ca 0.20 -0.25 0.03 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.80 0.00 -4.09 1.61 3.01 0.04 -4.80 117.46 112.44 1shq n PHE 207 Ca 0.20 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.59 1shq n PHE 207 Cb 0.20 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.57 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 -1.04 0.54 0.77 1.38 -0.71 -1.24 -0.88 117.98 116.80 1shq s PHE 208 Ca 0.06 -0.98 -0.11 0.00 -1.04 0.00 0.00 56.93 54.86 1shq s PHE 208 Cb 0.05 -0.38 0.07 0.00 -1.21 0.00 0.00 43.02 41.55 1shq s PHE 208 CO 0.17 -0.33 1.13 -1.25 -1.34 0.00 0.00 175.22 173.60 1shq s PRO 209 N -3.58 2.15 0.55 1.99 0.05 -1.24 -2.55 135.00 132.38 1shq s PRO 209 Ca 0.05 0.09 0.24 0.00 0.05 0.00 0.00 61.00 61.44 1shq s PRO 209 Cb 0.05 -2.01 1.49 0.00 0.05 0.00 0.00 34.50 34.09 1shq s PRO 209 CO -0.08 -1.43 2.09 0.93 0.05 0.00 0.00 177.00 178.56 1shq h GLU 210 N -0.90 0.00 0.00 4.56 5.08 -1.04 -0.70 114.58 121.58 1shq h GLU 210 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 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 0.65 0.00 0.00 0.93 -1.00 0.00 0.00 179.01 179.59 1shq h GLU 211 N 0.00 0.00 -6.19 2.33 3.07 -1.86 -3.38 114.58 108.55 1shq h GLU 211 Ca 0.10 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.45 1shq h GLU 211 Cb 0.48 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.33 1shq h GLU 211 CO -0.00 0.00 -0.53 0.00 -1.40 0.00 0.00 179.01 177.08 1shq s ALA 212 N -3.15 3.57 0.04 3.43 0.00 -0.32 -5.01 121.76 120.32 1shq s ALA 212 Ca 0.09 -1.49 0.07 0.00 0.00 0.00 0.00 51.96 50.63 1shq s ALA 212 Cb 0.11 -1.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.00 1shq s ALA 212 CO 0.57 0.21 -0.17 -0.51 0.00 0.00 0.00 175.76 175.86 1shq s LEU 213 N -3.85 2.67 0.39 0.00 1.43 -1.26 -1.89 118.68 116.18 1shq s LEU 213 Ca 0.34 -0.40 -0.27 0.00 -1.03 0.00 0.00 54.13 52.77 1shq s LEU 213 Cb -0.07 -1.55 -0.09 0.00 0.03 0.00 0.00 46.19 44.50 1shq s LEU 213 CO 0.25 0.26 1.38 -0.62 0.23 0.00 0.00 176.35 177.84 1shq s ASP 214 N -1.46 6.31 0.62 2.29 2.15 -0.12 -4.81 116.67 121.65 1shq s ASP 214 Ca 0.15 2.82 -0.18 0.00 0.43 0.00 0.00 52.55 55.77 1shq s ASP 214 Cb -0.11 -2.65 -0.02 0.00 -0.30 0.00 0.00 42.92 39.84 1shq s ASP 214 CO 0.06 -0.87 1.21 -0.63 -0.17 0.00 0.00 175.17 174.77 1shq s ILE 215 N -1.19 2.54 0.00 4.11 1.01 -1.26 -0.94 121.20 125.47 1shq s ILE 215 Ca 0.55 0.32 0.00 0.00 0.00 0.00 0.00 60.65 61.52 1shq s ILE 215 Cb -0.42 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 38.98 1shq s ILE 215 CO 0.55 -0.09 0.00 -0.62 0.00 0.00 0.00 174.94 174.78 1shq n GLU 216 N -1.84 0.00 -0.01 2.79 1.02 -1.26 -4.31 120.64 117.04 1shq n GLU 216 Ca 0.14 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.35 1shq n GLU 216 Cb 0.50 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.81 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 3.91 1.64 -1.65 1.62 8.00 -1.23 -5.01 116.55 123.84 1shq n ASP 217 Ca 0.00 -0.08 -0.17 0.00 0.71 0.00 0.00 54.79 55.25 1shq n ASP 217 Cb 0.00 1.59 -0.03 0.00 -0.02 0.00 0.00 41.12 42.65 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 1.66 0.46 3.71 0.44 0.00 -0.12 -4.88 105.19 106.46 1shq n GLY 218 Ca -0.02 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.74 4.97 0.31 -0.61 1.01 -1.26 -4.48 121.20 118.39 1shq s ILE 219 Ca 0.00 1.73 -0.28 0.00 0.00 0.00 0.00 60.65 62.09 1shq s ILE 219 Cb 0.00 -4.17 -0.13 0.00 0.01 0.00 0.00 42.46 38.17 1shq s ILE 219 CO 0.00 0.21 1.19 -2.65 0.00 0.00 0.00 174.94 173.69 1shq n PRO 220 N 3.84 1.81 -0.89 2.79 -0.02 -1.26 -0.95 135.00 140.32 1shq n PRO 220 Ca 0.02 0.64 -0.29 0.00 -2.02 0.00 0.00 63.50 61.85 1shq n PRO 220 Cb 0.51 -2.15 0.23 0.00 -0.02 0.00 0.00 33.50 32.07 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 -0.34 1.54 0.05 -1.23 0.00 -0.79 -4.87 107.32 101.69 1shq s GLY 221 Ca 0.58 -0.49 0.22 0.00 0.00 0.00 0.00 44.72 45.03 1shq s GLY 221 CO 0.60 0.26 0.83 1.18 0.00 0.00 0.00 173.10 175.97 1shq n GLU 222 N -4.68 0.47 -2.07 2.90 1.02 -0.63 -3.03 120.64 114.63 1shq n GLU 222 Ca 0.07 -0.04 -0.40 0.00 -0.02 0.00 0.00 57.16 56.76 1shq n GLU 222 Cb 0.57 -1.61 -0.01 0.00 -0.02 0.00 0.00 31.44 30.37 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 -3.34 4.20 0.00 3.49 0.52 -1.06 -4.40 118.95 118.36 1shq s ARG 223 Ca -0.01 2.22 0.07 0.00 -0.52 0.00 0.00 55.73 57.49 1shq s ARG 223 Cb 0.13 -2.95 0.12 0.00 0.52 0.00 0.00 34.95 32.77 1shq s ARG 223 CO 0.84 -0.33 0.92 0.39 0.02 0.00 0.00 175.30 177.15 1shq n GLU 224 N 0.52 1.27 -0.52 3.54 1.02 -1.26 -1.13 120.64 124.08 1shq n GLU 224 Ca 0.01 -1.33 0.08 0.00 -0.02 0.00 0.00 57.16 55.90 1shq n GLU 224 Cb 0.42 -1.15 0.29 0.00 -0.02 0.00 0.00 31.44 30.97 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 0.30 4.23 0.00 1.62 5.68 -1.26 -4.96 116.55 122.16 1shq n ASP 225 Ca 0.06 -2.87 0.00 0.00 -0.50 0.00 0.00 54.79 51.48 1shq n ASP 225 Cb 0.26 -0.55 0.00 0.00 -1.14 0.00 0.00 41.12 39.69 1shq n ASP 225 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1shq n GLY 226 N -0.08 0.00 3.78 6.12 0.00 -1.26 -4.97 105.19 108.78 1shq n GLY 226 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.72 4.62 -0.71 1.61 1.02 -1.26 -4.83 119.74 118.47 1shq s LYS 227 Ca 0.00 1.32 -0.04 0.00 0.02 0.00 0.00 55.97 57.27 1shq s LYS 227 Cb 0.00 -2.94 0.18 0.00 -0.52 0.00 0.00 37.83 34.55 1shq s LYS 227 CO 0.00 0.36 0.56 -1.01 -0.92 0.00 0.00 175.35 174.33 1shq s HIS 228 N -1.49 3.54 0.16 3.18 3.76 -1.26 -3.63 115.29 119.55 1shq s HIS 228 Ca 0.47 -2.68 0.21 0.00 -0.15 0.00 0.00 55.06 52.91 1shq s HIS 228 Cb -0.20 -3.30 0.81 0.00 1.11 0.00 0.00 32.58 31.00 1shq s HIS 228 CO 0.26 -0.84 1.78 -0.07 -0.85 0.00 0.00 174.74 175.02 1shq h LEU 229 N 6.93 0.00 -0.16 0.89 3.38 -1.39 -2.16 115.31 122.80 1shq h LEU 229 Ca 0.04 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1shq h LEU 229 Cb 0.94 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 1shq h LEU 229 CO 0.74 0.30 -0.18 0.40 0.09 0.00 0.00 178.44 179.79 1shq h ILE 230 N 0.00 1.34 -0.25 1.22 1.08 -1.93 -1.00 117.51 117.97 1shq h ILE 230 Ca -0.00 -1.35 -0.06 0.00 -0.39 0.00 0.00 64.86 63.05 1shq h ILE 230 Cb 0.81 1.86 -0.01 0.00 -3.07 0.00 0.00 36.82 36.41 1shq h ILE 230 CO 0.04 0.40 -0.12 0.71 -0.69 0.00 0.00 178.15 178.50 1shq h THR 231 N 0.04 1.21 -0.79 -0.27 1.35 -1.89 0.09 112.91 112.65 1shq h THR 231 Ca 0.02 -0.93 0.07 0.00 -0.55 0.00 0.00 66.41 65.02 1shq h THR 231 Cb 0.72 1.15 -0.06 0.00 -1.73 0.00 0.00 68.15 68.23 1shq h THR 231 CO 0.04 0.30 0.47 0.44 -0.25 0.00 0.00 175.52 176.52 1shq h ASP 232 N 0.39 0.71 -0.20 5.36 3.32 -1.25 -0.38 116.42 124.37 1shq h ASP 232 Ca 0.08 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1shq h ASP 232 Cb 0.44 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1shq h ASP 232 CO 0.03 0.44 0.04 -0.25 -1.72 0.00 0.00 179.24 177.78 1shq h TRP 233 N 0.84 0.34 -0.00 4.55 7.01 -0.47 -1.10 115.95 127.12 1shq h TRP 233 Ca 0.36 -0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.32 1shq h TRP 233 Cb 0.23 -0.10 -0.00 0.00 -2.10 0.00 0.00 29.16 27.20 1shq h TRP 233 CO -0.05 0.45 0.00 -0.07 -2.79 0.00 0.00 178.44 175.98 1shq h LEU 234 N 0.13 0.00 -1.01 0.65 3.38 -0.74 -2.49 115.31 115.23 1shq h LEU 234 Ca 0.06 -0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.02 1shq h LEU 234 Cb 0.29 -0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.97 1shq h LEU 234 CO 0.00 0.07 0.65 0.44 0.09 0.00 0.00 178.44 179.70 1shq h ASP 235 N -0.07 1.04 -0.50 -0.43 3.32 -1.05 -0.51 116.42 118.21 1shq h ASP 235 Ca 0.00 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1shq h ASP 235 Cb 0.07 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1shq h ASP 235 CO -0.00 0.66 0.24 -0.78 -1.72 0.00 0.00 179.24 177.64 1shq h ASP 236 N 1.18 0.66 0.06 6.45 3.58 -0.95 -0.07 116.42 127.33 1shq h ASP 236 Ca 0.43 -0.13 -0.00 0.00 0.42 0.00 0.00 57.03 57.75 1shq h ASP 236 Cb 0.17 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1shq h ASP 236 CO -0.17 0.61 -0.03 0.11 -2.88 0.00 0.00 179.24 176.88 1shq h LYS 237 N 0.67 -0.07 -0.34 0.28 1.79 -0.92 -2.79 116.57 115.19 1shq h LYS 237 Ca 0.17 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.66 1shq h LYS 237 Cb 0.13 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.77 1shq h LYS 237 CO -0.02 0.10 0.19 0.00 -1.08 0.00 0.00 179.45 178.64 1shq h ALA 238 N 0.70 0.42 0.00 3.86 0.00 -1.02 -1.51 119.26 121.72 1shq h ALA 238 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1shq h ALA 238 Cb 0.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1shq h ALA 238 CO 0.01 -0.17 0.00 -1.13 0.00 0.00 0.00 179.25 177.96 1shq n SER 239 N -4.91 0.09 -0.31 0.00 3.41 -0.05 -1.15 113.62 110.69 1shq n SER 239 Ca 0.00 0.53 0.13 0.00 -0.26 0.00 0.00 58.87 59.27 1shq n SER 239 Cb 0.06 -0.54 0.45 0.00 -0.26 0.00 0.00 64.21 63.92 1shq n SER 239 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1shq n GLN 240 N -1.60 1.11 -0.89 4.33 6.02 -0.61 -4.93 117.38 120.80 1shq n GLN 240 Ca 0.02 -0.62 0.00 0.00 -0.01 0.00 0.00 57.00 56.39 1shq n GLN 240 Cb 0.13 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.90 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 1.28 0.47 3.75 1.08 0.00 -0.30 -5.06 105.19 106.41 1shq n GLY 241 Ca 0.15 -0.76 -0.23 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.00 3.42 0.05 4.61 0.00 -0.95 -5.02 121.76 121.87 1shq s ALA 242 Ca 0.00 -1.47 -0.16 0.00 0.00 0.00 0.00 51.96 50.33 1shq s ALA 242 Cb 0.00 -1.12 -0.06 0.00 0.00 0.00 0.00 23.12 21.94 1shq s ALA 242 CO 0.00 0.30 0.48 0.95 0.00 0.00 0.00 175.76 177.49 1shq s THR 243 N -2.13 4.92 0.03 0.00 -4.23 -1.26 -3.84 115.64 109.13 1shq s THR 243 Ca 0.32 0.91 0.01 0.00 -1.18 0.00 0.00 61.69 61.75 1shq s THR 243 Cb -0.08 -3.76 -0.02 0.00 1.34 0.00 0.00 72.50 69.97 1shq s THR 243 CO 0.23 0.49 -0.05 0.00 -0.54 0.00 0.00 174.62 174.74 1shq s ALA 244 N -1.19 0.36 -0.01 3.99 0.00 -1.26 -2.08 121.76 121.57 1shq s ALA 244 Ca 0.29 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.53 1shq s ALA 244 Cb -0.17 0.12 -0.00 0.00 0.00 0.00 0.00 23.12 23.07 1shq s ALA 244 CO 0.16 -0.13 -0.08 0.45 0.00 0.00 0.00 175.76 176.17 1shq s SER 245 N -1.70 0.97 -0.19 0.00 0.15 -0.19 -4.98 113.70 107.77 1shq s SER 245 Ca -0.11 -0.15 -0.01 0.00 0.70 0.00 0.00 55.95 56.39 1shq s SER 245 Cb -0.08 -0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.06 1shq s SER 245 CO -0.01 0.08 -0.13 -0.47 1.20 0.00 0.00 173.24 173.90 1shq s TYR 246 N -0.00 2.85 0.13 3.44 5.04 -1.25 -1.16 117.35 126.39 1shq s TYR 246 Ca 0.00 -1.18 0.05 0.00 -2.44 0.00 0.00 57.07 53.51 1shq s TYR 246 Cb -0.05 -1.97 -0.04 0.00 0.35 0.00 0.00 41.96 40.24 1shq s TYR 246 CO -0.00 -0.60 -0.13 0.14 -1.34 0.00 0.00 175.55 173.63 1shq s VAL 247 N 1.19 1.27 0.00 3.14 -7.23 -0.36 -5.00 120.40 113.41 1shq s VAL 247 Ca 0.02 -1.82 0.00 0.00 -1.81 0.00 0.00 61.98 58.37 1shq s VAL 247 Cb -0.14 -1.62 0.00 0.00 0.56 0.00 0.00 36.38 35.18 1shq s VAL 247 CO -0.05 -0.52 0.41 -2.67 -0.31 0.00 0.00 175.10 171.95 1shq n TRP 248 N 0.30 0.00 -3.86 2.82 2.14 -1.26 -1.52 117.44 116.06 1shq n TRP 248 Ca -0.14 -0.02 -0.09 0.00 2.07 0.00 0.00 57.50 59.32 1shq n TRP 248 Cb 0.58 -0.00 -0.06 0.00 -0.81 0.00 0.00 31.31 31.02 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 -0.04 0.00 0.09 -0.67 2.20 -1.26 -4.45 114.94 110.82 1shq s ASN 249 Ca 0.00 -0.69 -0.23 0.00 -0.94 0.00 0.00 52.86 51.00 1shq s ASN 249 Cb 0.00 0.42 -0.13 0.00 -2.00 0.00 0.00 41.25 39.54 1shq s ASN 249 CO 0.00 -0.85 1.73 -0.09 -2.94 0.00 0.00 177.10 174.95 1shq h ARG 250 N 2.56 -0.06 -0.47 3.55 2.43 -1.35 -1.39 114.38 119.65 1shq h ARG 250 Ca -0.32 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 58.94 1shq h ARG 250 Cb 1.23 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.71 1shq h ARG 250 CO 0.50 -0.04 0.01 -0.44 -1.51 0.00 0.00 179.97 178.49 1shq h ASP 251 N -0.07 -0.17 -0.37 -3.80 3.32 -1.86 -1.20 116.42 112.27 1shq h ASP 251 Ca 0.01 0.11 -0.09 0.00 0.02 0.00 0.00 57.03 57.07 1shq h ASP 251 Cb 0.07 0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1shq h ASP 251 CO -0.02 -0.05 -0.10 0.44 -1.72 0.00 0.00 179.24 177.79 1shq h ASP 252 N 0.13 0.79 -0.22 6.45 3.32 -1.95 -1.18 116.42 123.76 1shq h ASP 252 Ca 0.23 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1shq h ASP 252 Cb 0.34 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1shq h ASP 252 CO -0.38 0.92 0.14 0.25 -1.72 0.00 0.00 179.24 178.45 1shq h LEU 253 N 0.73 0.26 -1.96 1.55 5.85 -0.82 -2.61 115.31 118.30 1shq h LEU 253 Ca 0.12 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1shq h LEU 253 Cb 0.58 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 1shq h LEU 253 CO 0.04 0.19 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.17 1shq h LEU 254 N 0.29 0.00 -0.37 2.25 3.38 -0.80 -0.38 115.31 119.69 1shq h LEU 254 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1shq h LEU 254 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1shq h LEU 254 CO -0.02 0.09 -0.19 0.00 0.09 0.00 0.00 178.44 178.41 1shq n ALA 255 N -2.22 2.94 -1.76 1.53 0.00 -0.49 -4.92 120.51 115.59 1shq n ALA 255 Ca -0.02 -0.34 -0.42 0.00 0.00 0.00 0.00 53.44 52.66 1shq n ALA 255 Cb 0.23 -1.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.43 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 -2.50 2.13 -0.77 0.00 1.01 -0.15 -4.89 120.40 115.23 1shq s VAL 256 Ca 0.26 0.08 -0.25 0.00 0.00 0.00 0.00 61.98 62.06 1shq s VAL 256 Cb 0.20 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 1shq s VAL 256 CO 0.50 0.01 1.85 -0.62 0.00 0.00 0.00 175.10 176.84 1shq s ASP 257 N 1.24 5.32 0.10 3.32 -1.08 -1.26 -4.88 116.67 119.43 1shq s ASP 257 Ca 0.74 -0.23 -0.23 0.00 -0.52 0.00 0.00 52.55 52.32 1shq s ASP 257 Cb -0.49 -2.55 -0.11 0.00 -1.46 0.00 0.00 42.92 38.32 1shq s ASP 257 CO 0.32 -2.47 1.72 0.40 0.52 0.00 0.00 175.17 175.66 1shq h ILE 258 N 7.00 0.87 -0.15 4.11 1.08 -1.92 -1.81 117.51 126.69 1shq h ILE 258 Ca -0.08 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.37 1shq h ILE 258 Cb 1.08 0.87 -0.01 0.00 -3.07 0.00 0.00 36.82 35.69 1shq h ILE 258 CO 1.23 0.00 0.00 0.03 -0.69 0.00 0.00 178.15 178.72 1shq h ARG 259 N -0.07 0.22 -0.25 2.37 -0.00 -1.96 -2.98 114.38 111.71 1shq h ARG 259 Ca 0.03 -0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1shq h ARG 259 Cb 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 29.97 30.04 1shq h ARG 259 CO -0.07 0.24 0.00 0.09 0.00 0.00 0.00 179.97 180.23 1shq n ASN 260 N -4.41 3.05 -4.42 7.04 3.02 -1.12 -4.90 115.26 113.53 1shq n ASN 260 Ca -0.01 -1.90 -0.38 0.00 -0.03 0.00 0.00 54.58 52.26 1shq n ASN 260 Cb 0.16 -0.16 -0.12 0.00 -0.61 0.00 0.00 39.78 39.06 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 -1.42 4.45 0.02 3.41 2.01 -0.70 -4.70 115.64 118.71 1shq s THR 261 Ca 0.30 -0.49 -0.13 0.00 0.31 0.00 0.00 61.69 61.69 1shq s THR 261 Cb 0.19 -3.28 -0.33 0.00 0.01 0.00 0.00 72.50 69.08 1shq s THR 261 CO 0.26 0.07 0.93 0.44 -0.69 0.00 0.00 174.62 175.63 1shq h ASP 262 N 8.33 0.72 -3.57 3.53 3.32 -1.76 -3.47 116.42 123.52 1shq h ASP 262 Ca -0.32 -0.84 -0.48 0.00 0.02 0.00 0.00 57.03 55.40 1shq h ASP 262 Cb 1.14 -0.24 -0.33 0.00 0.22 0.00 0.00 39.33 40.13 1shq h ASP 262 CO 0.61 1.68 -0.80 -0.31 -1.72 0.00 0.00 179.24 178.69 1shq s TYR 263 N -2.60 1.26 -0.11 4.55 2.02 -0.88 -4.80 117.35 116.78 1shq s TYR 263 Ca -0.10 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.19 1shq s TYR 263 Cb 0.05 -0.92 0.02 0.00 -0.40 0.00 0.00 41.96 40.71 1shq s TYR 263 CO 0.91 -0.21 -0.10 -1.17 -1.57 0.00 0.00 175.55 173.42 1shq s LEU 264 N 0.52 1.35 -0.22 -1.29 2.96 0.43 -1.02 118.68 121.41 1shq s LEU 264 Ca -0.10 -0.34 0.01 0.00 -0.22 0.00 0.00 54.13 53.48 1shq s LEU 264 Cb -0.13 -0.90 0.03 0.00 0.50 0.00 0.00 46.19 45.68 1shq s LEU 264 CO 0.02 -0.08 -0.13 -0.32 -1.32 0.00 0.00 176.35 174.52 1shq s MET 265 N 1.50 2.77 -0.30 1.98 -2.45 -0.31 -0.56 119.30 121.93 1shq s MET 265 Ca 0.02 -1.00 0.03 0.00 -1.25 0.00 0.00 55.69 53.49 1shq s MET 265 Cb -0.13 -2.79 0.08 0.00 1.25 0.00 0.00 34.83 33.24 1shq s MET 265 CO -0.07 -0.36 -0.03 0.20 1.05 0.00 0.00 175.02 175.81 1shq s GLY 266 N 1.26 1.78 -0.32 2.11 0.00 0.12 -1.22 107.32 111.05 1shq s GLY 266 Ca 0.00 -2.07 -0.00 0.00 0.00 0.00 0.00 44.72 42.65 1shq s GLY 266 CO -0.08 0.75 0.03 1.08 0.00 0.00 0.00 173.10 174.87 1shq s LEU 267 N 1.05 4.20 0.00 0.66 1.43 -0.58 -1.37 118.68 124.07 1shq s LEU 267 Ca -0.01 -1.58 0.25 0.00 -1.03 0.00 0.00 54.13 51.76 1shq s LEU 267 Cb -0.20 -1.69 0.38 0.00 0.03 0.00 0.00 46.19 44.71 1shq s LEU 267 CO -0.06 -0.32 1.36 0.49 0.23 0.00 0.00 176.35 178.05 1shq n PHE 268 N 4.52 0.00 -3.68 0.29 3.72 0.15 -4.33 117.46 118.13 1shq n PHE 268 Ca -0.09 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.19 1shq n PHE 268 Cb 0.42 -0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.89 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 -2.07 -0.26 0.31 4.37 0.15 -1.26 -4.89 113.70 110.04 1shq s SER 269 Ca 0.29 -0.00 -0.01 0.00 0.70 0.00 0.00 55.95 56.93 1shq s SER 269 Cb 0.20 0.41 0.49 0.00 -1.71 0.00 0.00 66.02 65.40 1shq s SER 269 CO 0.35 -0.64 1.97 0.22 1.20 0.00 0.00 173.24 176.34 1shq h TYR 270 N 3.11 1.00 -0.15 3.44 3.20 -1.92 -1.49 116.97 124.15 1shq h TYR 270 Ca -0.31 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.58 1shq h TYR 270 Cb 1.20 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 39.13 1shq h TYR 270 CO 0.42 0.62 0.00 -2.37 -1.64 0.00 0.00 178.16 175.19 1shq n THR 271 N -4.42 0.00 -1.65 1.81 5.66 -1.26 -1.57 114.28 112.84 1shq n THR 271 Ca 0.09 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.75 1shq n THR 271 Cb 0.05 0.00 0.07 0.00 -1.55 0.00 0.00 70.33 68.90 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 3.01 2.26 0.56 1.09 3.76 -1.26 -0.66 115.29 124.05 1shq s HIS 272 Ca 0.00 1.57 -0.19 0.00 -0.15 0.00 0.00 55.06 56.29 1shq s HIS 272 Cb 0.00 -3.41 -0.05 0.00 1.11 0.00 0.00 32.58 30.23 1shq s HIS 272 CO 0.00 -2.31 1.16 -0.51 -0.85 0.00 0.00 174.74 172.23 1shq s LEU 273 N -4.81 3.71 0.61 0.89 1.43 -0.26 -4.87 118.68 115.38 1shq s LEU 273 Ca 0.73 2.27 -0.19 0.00 -1.03 0.00 0.00 54.13 55.91 1shq s LEU 273 Cb -0.28 -4.59 -0.03 0.00 0.03 0.00 0.00 46.19 41.33 1shq s LEU 273 CO 0.41 -1.38 1.25 0.47 0.23 0.00 0.00 176.35 177.33 1shq n ASP 274 N -1.43 1.98 -4.74 2.29 8.00 -1.26 -4.93 116.55 116.46 1shq n ASP 274 Ca 0.12 0.86 -0.33 0.00 0.71 0.00 0.00 54.79 56.16 1shq n ASP 274 Cb 0.50 -1.53 0.08 0.00 -0.02 0.00 0.00 41.12 40.16 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 -1.38 2.80 0.26 -3.53 -4.23 -1.26 -4.60 115.64 103.69 1shq s THR 275 Ca 0.79 0.35 -0.04 0.00 -1.18 0.00 0.00 61.69 61.60 1shq s THR 275 Cb -0.40 -2.82 0.29 0.00 1.34 0.00 0.00 72.50 70.91 1shq s THR 275 CO 0.44 -0.25 1.64 0.58 -0.54 0.00 0.00 174.62 176.48 1shq h VAL 276 N -0.47 0.33 -0.00 2.29 2.07 -1.91 0.32 116.25 118.89 1shq h VAL 276 Ca -0.46 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1shq h VAL 276 Cb 1.26 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1shq h VAL 276 CO 0.51 0.02 -0.02 0.18 0.02 0.00 0.00 177.57 178.28 1shq n LEU 277 N -5.31 0.05 -0.00 2.57 4.77 -1.26 -3.67 117.00 114.15 1shq n LEU 277 Ca 0.16 0.32 0.01 0.00 -0.03 0.00 0.00 56.01 56.47 1shq n LEU 277 Cb 0.53 -0.34 -0.02 0.00 -2.33 0.00 0.00 43.42 41.26 1shq n LEU 277 CO 0.05 0.01 -0.25 0.35 -1.33 0.00 0.00 177.39 176.22 1shq n THR 278 N -1.33 0.00 -1.83 -5.08 -2.24 -0.64 -5.07 114.28 98.08 1shq n THR 278 Ca 0.12 -0.26 -0.35 0.00 -2.27 0.00 0.00 64.05 61.29 1shq n THR 278 Cb 0.28 0.74 0.05 0.00 -2.10 0.00 0.00 70.33 69.29 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 -1.69 2.77 -0.49 -0.78 1.70 0.01 -4.89 118.95 115.58 1shq s ARG 279 Ca 0.00 1.67 -0.24 0.00 -0.47 0.00 0.00 55.73 56.69 1shq s ARG 279 Cb 0.02 -1.92 0.03 0.00 -0.57 0.00 0.00 34.95 32.51 1shq s ARG 279 CO 0.11 -1.33 0.89 0.34 -1.08 0.00 0.00 175.30 174.24 1shq s ASP 280 N -1.98 6.41 0.56 -2.89 -1.08 -1.26 -4.90 116.67 111.52 1shq s ASP 280 Ca 0.73 -0.15 0.37 0.00 -0.52 0.00 0.00 52.55 52.99 1shq s ASP 280 Cb -0.27 -2.43 1.84 0.00 -1.46 0.00 0.00 42.92 40.61 1shq s ASP 280 CO 0.37 -1.08 2.12 0.00 0.52 0.00 0.00 175.17 177.10 1shq h ALA 281 N 9.15 1.00 0.01 3.66 0.00 -1.94 -0.95 119.26 130.19 1shq h ALA 281 Ca -0.25 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.44 1shq h ALA 281 Cb 1.08 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1shq h ALA 281 CO 1.03 0.00 -0.93 0.93 0.00 0.00 0.00 179.25 180.28 1shq h GLU 282 N 0.00 0.33 0.01 0.00 5.08 -2.03 -3.39 114.58 114.58 1shq h GLU 282 Ca 0.00 -0.36 -0.34 0.00 -1.00 0.00 0.00 59.36 57.66 1shq h GLU 282 Cb 0.20 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.50 1shq h GLU 282 CO 0.00 1.06 -2.06 -1.33 -1.00 0.00 0.00 179.01 175.67 1shq n MET 283 N -3.70 0.67 -4.18 2.33 2.81 -0.70 -4.43 117.12 109.92 1shq n MET 283 Ca -0.06 0.17 -0.34 0.00 -1.81 0.00 0.00 57.70 55.66 1shq n MET 283 Cb 0.83 -1.66 -0.12 0.00 -0.71 0.00 0.00 33.22 31.56 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 -6.02 4.85 0.46 7.83 1.11 -0.44 -1.13 116.67 123.33 1shq s ASP 284 Ca -0.11 -0.17 -0.22 0.00 0.18 0.00 0.00 52.55 52.23 1shq s ASP 284 Cb 0.07 -1.82 -0.08 0.00 1.07 0.00 0.00 42.92 42.16 1shq s ASP 284 CO 0.80 0.10 1.06 -2.16 1.18 0.00 0.00 175.17 176.15 1shq s PRO 285 N 0.77 3.88 0.64 8.23 0.04 -1.26 -4.65 135.00 142.64 1shq s PRO 285 Ca -0.00 1.47 -0.07 0.00 0.04 0.00 0.00 61.00 62.44 1shq s PRO 285 Cb -0.14 -2.26 0.03 0.00 0.04 0.00 0.00 34.50 32.16 1shq s PRO 285 CO 0.02 -0.38 0.96 0.95 0.04 0.00 0.00 177.00 178.58 1shq s THR 286 N -1.81 3.22 0.18 1.26 -4.23 -1.26 -4.85 115.64 108.15 1shq s THR 286 Ca 0.64 -0.02 -0.13 0.00 -1.18 0.00 0.00 61.69 61.00 1shq s THR 286 Cb -0.20 -3.32 0.08 0.00 1.34 0.00 0.00 72.50 70.40 1shq s THR 286 CO 0.24 -0.34 1.77 0.25 -0.54 0.00 0.00 174.62 176.00 1shq h LEU 287 N -0.36 0.27 -1.50 4.79 5.85 -1.96 -0.32 115.31 122.08 1shq h LEU 287 Ca -0.45 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.32 1shq h LEU 287 Cb 1.27 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 1shq h LEU 287 CO 0.61 0.19 0.33 -0.65 -0.34 0.00 0.00 178.44 178.58 1shq h PRO 288 N 0.43 0.67 -0.39 5.25 0.11 -1.88 -1.56 132.00 134.61 1shq h PRO 288 Ca 0.23 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.26 1shq h PRO 288 Cb 0.20 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.14 1shq h PRO 288 CO -0.20 0.44 0.07 0.93 -0.21 0.00 0.00 178.00 179.03 1shq h GLU 289 N 0.68 0.65 -0.67 1.05 5.08 -1.46 -0.96 114.58 118.96 1shq h GLU 289 Ca 0.18 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1shq h GLU 289 Cb -0.08 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 1shq h GLU 289 CO -0.04 0.70 0.30 0.52 -1.00 0.00 0.00 179.01 179.49 1shq h MET 290 N 0.50 0.98 -0.38 2.33 2.86 -1.14 -2.56 114.93 117.53 1shq h MET 290 Ca 0.12 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1shq h MET 290 Cb 0.36 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 1shq h MET 290 CO 0.01 0.79 0.21 1.15 1.06 0.00 0.00 176.91 180.13 1shq h THR 291 N 0.93 1.14 0.01 2.22 2.02 -1.05 -1.03 112.91 117.14 1shq h THR 291 Ca 0.23 -0.35 0.03 0.00 0.77 0.00 0.00 66.41 67.08 1shq h THR 291 Cb 0.16 0.69 -0.05 0.00 -1.74 0.00 0.00 68.15 67.21 1shq h THR 291 CO -0.02 0.14 -0.28 0.50 0.37 0.00 0.00 175.52 176.23 1shq h LYS 292 N 0.48 -0.42 -0.80 6.66 3.64 -0.89 -1.15 116.57 124.09 1shq h LYS 292 Ca 0.13 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1shq h LYS 292 Cb 0.04 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.92 1shq h LYS 292 CO -0.02 -0.28 0.42 0.28 -2.27 0.00 0.00 179.45 177.58 1shq h VAL 293 N -0.44 1.24 -0.51 2.00 2.07 -1.26 -0.19 116.25 119.17 1shq h VAL 293 Ca 0.06 -0.63 0.02 0.00 0.82 0.00 0.00 66.70 66.97 1shq h VAL 293 Cb 0.52 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1shq h VAL 293 CO -0.24 0.28 0.30 0.00 0.02 0.00 0.00 177.57 177.93 1shq h ALA 294 N 1.33 0.66 -0.18 1.67 0.00 -1.01 0.18 119.26 121.90 1shq h ALA 294 Ca 0.28 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.03 1shq h ALA 294 Cb 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1shq h ALA 294 CO -0.04 0.01 -0.52 0.82 0.00 0.00 0.00 179.25 179.52 1shq h ILE 295 N 0.61 1.32 -0.22 0.00 2.04 -0.66 -0.97 117.51 119.63 1shq h ILE 295 Ca 0.21 -1.76 0.03 0.00 1.00 0.00 0.00 64.86 64.34 1shq h ILE 295 Cb 0.02 1.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 1shq h ILE 295 CO -0.09 0.54 0.05 -0.33 0.00 0.00 0.00 178.15 178.32 1shq h GLU 296 N 0.40 0.14 0.39 2.37 5.08 0.07 0.33 114.58 123.36 1shq h GLU 296 Ca 0.01 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1shq h GLU 296 Cb 1.04 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1shq h GLU 296 CO 0.10 0.09 -0.19 0.52 -1.00 0.00 0.00 179.01 178.54 1shq h MET 297 N 0.15 -0.50 0.00 2.33 2.86 -0.50 -3.21 114.93 116.06 1shq h MET 297 Ca 0.10 0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.71 1shq h MET 297 Cb 0.09 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1shq h MET 297 CO -0.12 -0.24 -0.30 -0.07 1.06 0.00 0.00 176.91 177.23 1shq h LEU 298 N -0.68 0.00 0.00 1.22 3.38 -1.11 -2.43 115.31 115.68 1shq h LEU 298 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1shq h LEU 298 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1shq h LEU 298 CO 0.09 0.30 0.00 0.35 0.09 0.00 0.00 178.44 179.27 1shq n THR 299 N -3.63 0.55 0.32 0.22 -2.24 0.10 -2.13 114.28 107.47 1shq n THR 299 Ca -0.01 0.14 0.22 0.00 -2.27 0.00 0.00 64.05 62.13 1shq n THR 299 Cb 0.42 -0.78 1.14 0.00 -2.10 0.00 0.00 70.33 69.01 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 -6.40 -0.78 1.57 -1.50 -3.39 116.57 106.07 1shq h LYS 300 Ca 0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 1shq h LYS 300 Cb 0.35 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.60 1shq h LYS 300 CO 0.00 0.00 1.09 0.34 -0.57 0.00 0.00 179.45 180.31 1shq s ASP 301 N -5.08 6.13 0.25 0.86 -1.08 -0.91 -4.85 116.67 111.99 1shq s ASP 301 Ca -0.04 0.17 0.19 0.00 -0.52 0.00 0.00 52.55 52.35 1shq s ASP 301 Cb 0.12 -2.55 0.95 0.00 -1.46 0.00 0.00 42.92 39.99 1shq s ASP 301 CO 0.40 -1.73 1.58 -0.62 0.52 0.00 0.00 175.17 175.33 1shq n GLU 302 N 8.75 0.13 0.00 4.34 1.02 -1.26 -1.32 120.64 132.29 1shq n GLU 302 Ca 0.11 0.55 0.13 0.00 -0.02 0.00 0.00 57.16 57.93 1shq n GLU 302 Cb 0.49 -1.86 0.34 0.00 -0.02 0.00 0.00 31.44 30.39 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 -2.12 0.63 0.00 1.62 5.03 -1.26 -5.08 115.26 114.07 1shq n ASN 303 Ca -0.00 -0.42 0.00 0.00 0.87 0.00 0.00 54.58 55.03 1shq n ASN 303 Cb 0.09 0.15 0.00 0.00 -1.02 0.00 0.00 39.78 38.99 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 1.44 0.96 3.42 7.41 0.00 -0.44 -4.89 105.19 113.10 1shq n GLY 304 Ca 0.08 -2.25 -0.12 0.00 0.00 0.00 0.00 46.02 43.74 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 -1.14 -0.54 -0.08 1.61 -0.12 -1.19 -2.49 117.98 114.03 1shq s PHE 305 Ca 0.00 0.33 0.04 0.00 -0.05 0.00 0.00 56.93 57.25 1shq s PHE 305 Cb 0.00 0.56 -0.01 0.00 -0.63 0.00 0.00 43.02 42.94 1shq s PHE 305 CO 0.00 -0.85 -0.21 0.12 -0.05 0.00 0.00 175.22 174.23 1shq s PHE 306 N -3.73 2.57 -0.05 3.49 5.36 -0.19 -0.99 117.98 124.45 1shq s PHE 306 Ca 0.01 -0.72 0.00 0.00 -0.96 0.00 0.00 56.93 55.26 1shq s PHE 306 Cb -0.01 -1.68 0.02 0.00 -0.34 0.00 0.00 43.02 41.02 1shq s PHE 306 CO -0.13 -0.22 -0.03 -1.17 -1.46 0.00 0.00 175.22 172.21 1shq s LEU 307 N -0.01 1.17 -0.19 6.12 2.96 -0.01 -1.44 118.68 127.29 1shq s LEU 307 Ca -0.07 -0.10 -0.12 0.00 -0.22 0.00 0.00 54.13 53.62 1shq s LEU 307 Cb -0.15 -0.40 -0.05 0.00 0.50 0.00 0.00 46.19 46.10 1shq s LEU 307 CO 0.05 -0.09 0.24 -0.22 -1.32 0.00 0.00 176.35 175.01 1shq s LEU 308 N 1.12 4.21 -0.14 -0.68 2.96 -0.90 -0.40 118.68 124.85 1shq s LEU 308 Ca -0.08 0.37 0.01 0.00 -0.22 0.00 0.00 54.13 54.21 1shq s LEU 308 Cb -0.14 -2.27 0.02 0.00 0.50 0.00 0.00 46.19 44.30 1shq s LEU 308 CO -0.01 0.10 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.25 1shq s VAL 309 N 0.61 1.77 -0.16 1.68 1.01 -0.41 -0.63 120.40 124.26 1shq s VAL 309 Ca 0.13 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.31 1shq s VAL 309 Cb -0.13 -1.61 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 1shq s VAL 309 CO 0.03 0.49 -0.09 -0.70 0.00 0.00 0.00 175.10 174.83 1shq s GLU 310 N 1.16 3.43 -1.01 2.72 2.12 -0.02 -1.09 118.70 126.01 1shq s GLU 310 Ca -0.01 -0.64 -0.17 0.00 0.36 0.00 0.00 54.97 54.51 1shq s GLU 310 Cb -0.14 -2.80 0.14 0.00 0.26 0.00 0.00 34.13 31.59 1shq s GLU 310 CO -0.07 0.08 1.22 0.20 -0.54 0.00 0.00 175.26 176.16 1shq s GLY 311 N 0.72 2.05 0.09 -1.50 0.00 0.02 -2.83 107.32 105.87 1shq s GLY 311 Ca -0.04 -2.93 0.22 0.00 0.00 0.00 0.00 44.72 41.97 1shq s GLY 311 CO 0.02 2.04 0.85 0.61 0.00 0.00 0.00 173.10 176.62 1shq n GLY 312 N 5.13 -1.25 0.49 0.20 0.00 -1.26 -1.76 105.19 106.74 1shq n GLY 312 Ca 0.28 -0.37 0.13 0.00 0.00 0.00 0.00 46.02 46.06 1shq n GLY 312 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1shq n ARG 313 N -2.36 1.44 -0.28 1.61 1.74 -1.26 -3.56 116.66 113.98 1shq n ARG 313 Ca -0.01 -0.98 0.06 0.00 -0.77 0.00 0.00 57.85 56.16 1shq n ARG 313 Cb 0.53 -1.48 0.17 0.00 -1.02 0.00 0.00 32.46 30.66 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 2.39 0.24 -0.11 0.55 2.04 -1.76 -1.01 117.51 119.84 1shq h ILE 314 Ca 0.00 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 1shq h ILE 314 Cb 0.62 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1shq h ILE 314 CO 0.00 0.01 -0.01 -0.78 0.00 0.00 0.00 178.15 177.37 1shq h ASP 315 N 0.06 0.20 -0.85 1.72 3.58 -1.27 -2.19 116.42 117.68 1shq h ASP 315 Ca 0.45 -0.33 0.03 0.00 0.42 0.00 0.00 57.03 57.60 1shq h ASP 315 Cb 0.80 -0.05 -0.05 0.00 1.72 0.00 0.00 39.33 41.74 1shq h ASP 315 CO -0.76 0.48 0.56 0.45 -2.88 0.00 0.00 179.24 177.09 1shq h HIS 316 N -0.08 1.02 -0.31 0.28 3.86 -1.59 -0.07 115.15 118.26 1shq h HIS 316 Ca 0.03 0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.14 1shq h HIS 316 Cb 0.38 -0.34 -0.00 0.00 1.06 0.00 0.00 27.41 28.51 1shq h HIS 316 CO 0.04 0.59 -0.30 0.52 0.86 0.00 0.00 177.93 179.65 1shq h MET 317 N 1.05 0.74 -0.93 2.45 2.86 -1.10 -2.95 114.93 117.05 1shq h MET 317 Ca 0.33 -0.39 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1shq h MET 317 Cb 0.02 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.65 1shq h MET 317 CO -0.10 1.01 0.58 0.45 1.06 0.00 0.00 176.91 179.91 1shq h HIS 318 N 0.50 1.21 -0.89 -0.22 -0.00 -1.01 0.27 115.15 115.01 1shq h HIS 318 Ca 0.05 0.01 0.18 0.00 -0.00 0.00 0.00 60.37 60.61 1shq h HIS 318 Cb 0.87 -0.40 -0.07 0.00 -0.00 0.00 0.00 27.41 27.81 1shq h HIS 318 CO 0.07 0.79 0.58 0.45 -0.00 0.00 0.00 177.93 179.82 1shq h HIS 319 N 1.28 0.66 -0.31 2.45 3.86 -0.84 0.11 115.15 122.35 1shq h HIS 319 Ca 0.34 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.57 1shq h HIS 319 Cb -0.09 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.18 1shq h HIS 319 CO 0.00 0.20 0.00 0.00 0.86 0.00 0.00 177.93 178.99 1shq n ALA 320 N -2.48 2.46 -1.78 2.45 0.00 -0.67 -1.43 120.51 119.07 1shq n ALA 320 Ca 0.19 -0.76 -0.21 0.00 0.00 0.00 0.00 53.44 52.66 1shq n ALA 320 Cb 0.61 -0.98 -0.07 0.00 0.00 0.00 0.00 19.45 19.00 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 0.87 -5.58 -4.49 0.00 5.03 0.37 -4.63 115.26 106.84 1shq n ASN 321 Ca 0.17 0.39 -0.43 0.00 0.87 0.00 0.00 54.58 55.59 1shq n ASN 321 Cb 0.45 -4.83 0.00 0.00 -1.02 0.00 0.00 39.78 34.38 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 -2.53 3.23 0.05 3.52 6.02 0.88 -1.71 117.38 126.84 1shq n GLN 322 Ca -0.22 -3.38 -0.10 0.00 -0.01 0.00 0.00 57.00 53.29 1shq n GLN 322 Cb 0.68 -3.36 0.03 0.00 1.02 0.00 0.00 30.24 28.60 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 5.21 1.38 -0.43 5.09 6.09 -1.80 -2.51 117.51 130.55 1shq h ILE 323 Ca 0.42 -2.16 0.02 0.00 -1.37 0.00 0.00 64.86 61.77 1shq h ILE 323 Cb 0.85 2.13 -0.03 0.00 0.47 0.00 0.00 36.82 40.24 1shq h ILE 323 CO 1.44 0.65 0.25 -0.09 -3.07 0.00 0.00 178.15 177.33 1shq h ARG 324 N 0.27 0.50 -0.42 2.19 2.43 -1.89 -0.71 114.38 116.74 1shq h ARG 324 Ca -0.03 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.02 1shq h ARG 324 Cb 1.31 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.73 1shq h ARG 324 CO 0.13 0.33 -0.09 1.96 -1.51 0.00 0.00 179.97 180.79 1shq h GLN 325 N 0.51 0.73 -0.86 0.20 4.20 -1.75 -2.45 115.11 115.70 1shq h GLN 325 Ca 0.17 -0.23 0.01 0.00 0.06 0.00 0.00 58.65 58.66 1shq h GLN 325 Cb 0.00 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.67 1shq h GLN 325 CO -0.07 0.80 0.57 1.03 -0.67 0.00 0.00 178.83 180.49 1shq h SER 326 N 0.67 0.99 -0.22 1.46 0.87 -1.02 -0.90 113.55 115.41 1shq h SER 326 Ca 0.12 -0.03 -0.15 0.00 -1.23 0.00 0.00 61.79 60.50 1shq h SER 326 Cb 0.54 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 1shq h SER 326 CO 0.03 0.72 -0.40 -0.07 -0.53 0.00 0.00 176.83 176.58 1shq h LEU 327 N 1.17 0.81 -1.06 2.23 3.38 -0.85 -1.36 115.31 119.64 1shq h LEU 327 Ca 0.31 -0.37 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 1shq h LEU 327 Cb -0.13 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.37 1shq h LEU 327 CO -0.07 1.11 -0.10 0.00 0.09 0.00 0.00 178.44 179.47 1shq h ALA 328 N 0.92 1.21 -0.63 1.53 0.00 -0.91 -2.26 119.26 119.13 1shq h ALA 328 Ca 0.05 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1shq h ALA 328 Cb 0.96 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1shq h ALA 328 CO 0.09 0.51 0.24 0.93 0.00 0.00 0.00 179.25 181.02 1shq h GLU 329 N 0.51 0.93 -0.14 0.00 4.39 -0.61 -1.36 114.58 118.31 1shq h GLU 329 Ca 0.10 -0.16 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1shq h GLU 329 Cb 0.49 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 1shq h GLU 329 CO 0.03 0.77 0.01 1.15 -1.16 0.00 0.00 179.01 179.81 1shq h THR 330 N 0.91 1.23 -0.16 1.13 2.02 -0.88 -2.60 112.91 114.56 1shq h THR 330 Ca 0.21 -0.75 -0.05 0.00 0.77 0.00 0.00 66.41 66.59 1shq h THR 330 Cb 0.20 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 1shq h THR 330 CO -0.02 0.22 -0.12 -0.07 0.37 0.00 0.00 175.52 175.90 1shq h LEU 331 N -0.00 0.24 -1.28 2.58 3.38 -1.10 -0.38 115.31 118.75 1shq h LEU 331 Ca 0.04 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1shq h LEU 331 Cb 0.33 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1shq h LEU 331 CO 0.00 0.40 0.51 -0.78 0.09 0.00 0.00 178.44 178.66 1shq h ASP 332 N 0.25 0.81 0.40 -0.43 3.58 -0.89 -0.34 116.42 119.80 1shq h ASP 332 Ca 0.05 -0.01 -0.20 0.00 0.42 0.00 0.00 57.03 57.29 1shq h ASP 332 Cb 0.37 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 1shq h ASP 332 CO 0.02 0.55 -0.84 -0.03 -2.88 0.00 0.00 179.24 176.07 1shq h MET 333 N 0.94 0.32 -0.77 0.28 4.05 -0.90 -2.46 114.93 116.39 1shq h MET 333 Ca 0.31 -0.31 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 1shq h MET 333 Cb 0.06 0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 30.90 1shq h MET 333 CO -0.09 0.99 0.45 1.49 0.23 0.00 0.00 176.91 179.98 1shq h GLU 334 N 0.20 1.05 0.00 0.39 4.22 -0.38 -1.79 114.58 118.26 1shq h GLU 334 Ca -0.05 -0.11 -0.07 0.00 0.08 0.00 0.00 59.36 59.21 1shq h GLU 334 Cb 1.44 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1shq h GLU 334 CO 0.14 0.76 -0.35 0.93 -2.18 0.00 0.00 179.01 178.31 1shq h GLU 335 N 1.05 0.00 -0.10 1.92 5.08 -0.99 -2.44 114.58 119.10 1shq h GLU 335 Ca 0.27 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.49 1shq h GLU 335 Cb -0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1shq h GLU 335 CO -0.05 0.35 -0.55 0.00 -1.00 0.00 0.00 179.01 177.76 1shq h ALA 336 N 1.65 0.89 -0.50 3.43 0.00 -0.86 -0.62 119.26 123.25 1shq h ALA 336 Ca -0.00 -0.51 -0.08 0.00 0.00 0.00 0.00 54.91 54.32 1shq h ALA 336 Cb 0.69 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1shq h ALA 336 CO 0.05 0.69 -0.02 0.28 0.00 0.00 0.00 179.25 180.25 1shq h VAL 337 N 0.22 1.26 -0.51 0.00 2.07 -1.11 -0.13 116.25 118.06 1shq h VAL 337 Ca 0.00 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 1shq h VAL 337 Cb 1.03 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 1shq h VAL 337 CO 0.09 0.39 0.28 0.28 0.02 0.00 0.00 177.57 178.62 1shq h SER 338 N 0.76 0.64 -0.16 0.57 0.02 -1.17 0.33 113.55 114.54 1shq h SER 338 Ca 0.14 -0.09 0.05 0.00 -0.84 0.00 0.00 61.79 61.04 1shq h SER 338 Cb 0.54 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.87 1shq h SER 338 CO 0.03 0.55 -0.16 -0.03 -1.14 0.00 0.00 176.83 176.08 1shq h MET 339 N 0.68 -0.18 -0.75 3.45 -1.53 -0.88 -0.90 114.93 114.81 1shq h MET 339 Ca 0.18 0.01 -0.01 0.00 -3.44 0.00 0.00 59.70 56.45 1shq h MET 339 Cb 0.05 0.04 -0.04 0.00 -0.55 0.00 0.00 31.60 31.11 1shq h MET 339 CO -0.03 -0.12 0.45 0.00 0.14 0.00 0.00 176.91 177.35 1shq h ALA 340 N 0.89 0.95 -0.78 0.39 0.00 -0.62 -1.89 119.26 118.21 1shq h ALA 340 Ca 0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1shq h ALA 340 Cb 0.34 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1shq h ALA 340 CO -0.27 0.43 0.43 -0.07 0.00 0.00 0.00 179.25 179.77 1shq h LEU 341 N 1.02 0.96 0.00 0.00 3.38 -0.54 -2.83 115.31 117.30 1shq h LEU 341 Ca 0.27 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1shq h LEU 341 Cb -0.03 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.48 1shq h LEU 341 CO -0.05 0.77 0.00 -1.54 0.09 0.00 0.00 178.44 177.71 1shq n SER 342 N -4.35 0.00 0.00 -0.43 3.41 -0.38 -3.52 113.62 108.34 1shq n SER 342 Ca 0.08 -0.65 0.00 0.00 -0.26 0.00 0.00 58.87 58.04 1shq n SER 342 Cb 0.10 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 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 -1.03 2.94 -4.32 4.33 2.81 -1.09 -5.08 117.12 115.68 1shq n MET 343 Ca 0.17 -0.11 -0.17 0.00 -1.81 0.00 0.00 57.70 55.78 1shq n MET 343 Cb 0.09 -0.50 -0.10 0.00 -0.71 0.00 0.00 33.22 32.00 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 -0.45 0.82 -0.38 2.03 -4.23 -1.10 -5.10 115.64 107.24 1shq s THR 344 Ca 0.00 -2.01 -0.14 0.00 -1.18 0.00 0.00 61.69 58.37 1shq s THR 344 Cb 0.00 -2.45 0.01 0.00 1.34 0.00 0.00 72.50 71.40 1shq s THR 344 CO 0.00 -0.21 0.26 -0.62 -0.54 0.00 0.00 174.62 173.51 1shq s ASP 345 N -3.30 6.02 0.33 3.99 -1.08 -1.26 -4.91 116.67 116.46 1shq s ASP 345 Ca 0.32 -0.73 0.24 0.00 -0.52 0.00 0.00 52.55 51.86 1shq s ASP 345 Cb 0.07 -2.13 1.21 0.00 -1.46 0.00 0.00 42.92 40.61 1shq s ASP 345 CO 0.10 -0.36 1.73 1.55 0.52 0.00 0.00 175.17 178.72 1shq h PRO 346 N 8.55 0.00 0.00 4.34 0.13 -1.93 0.26 132.00 143.35 1shq h PRO 346 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1shq h PRO 346 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1shq h PRO 346 CO 0.68 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.84 1shq n GLU 347 N -2.33 0.25 0.00 0.86 -0.58 -1.26 -3.75 120.64 113.82 1shq n GLU 347 Ca -0.00 0.31 0.00 0.00 -0.42 0.00 0.00 57.16 57.04 1shq n GLU 347 Cb 0.10 -1.85 0.00 0.00 -0.57 0.00 0.00 31.44 29.12 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 -2.30 3.72 -4.02 3.49 0.28 0.23 -4.68 120.64 117.36 1shq n GLU 348 Ca 0.04 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.70 1shq n GLU 348 Cb 0.35 -0.49 -0.15 0.00 1.43 0.00 0.00 31.44 32.58 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 -0.86 2.65 -0.02 3.84 2.01 0.67 -0.74 115.64 123.19 1shq s THR 349 Ca 0.00 -0.85 -0.29 0.00 0.31 0.00 0.00 61.69 60.85 1shq s THR 349 Cb 0.00 -2.22 -0.03 0.00 0.01 0.00 0.00 72.50 70.26 1shq s THR 349 CO 0.00 0.40 0.96 -0.63 -0.69 0.00 0.00 174.62 174.66 1shq s ILE 350 N 1.35 4.87 -0.19 1.82 1.01 -0.44 -4.24 121.20 125.39 1shq s ILE 350 Ca 0.04 2.01 -0.03 0.00 0.00 0.00 0.00 60.65 62.67 1shq s ILE 350 Cb -0.14 -4.30 -0.01 0.00 0.01 0.00 0.00 42.46 38.02 1shq s ILE 350 CO -0.08 0.14 -0.08 -0.63 0.00 0.00 0.00 174.94 174.30 1shq s ILE 351 N 1.15 3.24 -0.06 2.92 1.01 -0.27 -0.89 121.20 128.29 1shq s ILE 351 Ca 0.50 -0.56 0.05 0.00 0.00 0.00 0.00 60.65 60.64 1shq s ILE 351 Cb -0.20 -2.43 -0.00 0.00 0.01 0.00 0.00 42.46 39.83 1shq s ILE 351 CO 0.26 0.46 -0.20 -0.22 0.00 0.00 0.00 174.94 175.24 1shq s LEU 352 N 1.10 1.97 -0.05 2.97 0.20 -0.58 -0.91 118.68 123.37 1shq s LEU 352 Ca 0.01 -0.44 0.07 0.00 0.69 0.00 0.00 54.13 54.46 1shq s LEU 352 Cb -0.15 -1.16 -0.01 0.00 -0.43 0.00 0.00 46.19 44.44 1shq s LEU 352 CO -0.01 0.17 -0.25 -0.69 -0.29 0.00 0.00 176.35 175.28 1shq s VAL 353 N 0.11 2.10 0.36 1.68 1.01 0.37 -0.23 120.40 125.79 1shq s VAL 353 Ca -0.08 -1.06 -0.11 0.00 0.00 0.00 0.00 61.98 60.73 1shq s VAL 353 Cb -0.14 -1.75 0.03 0.00 0.00 0.00 0.00 36.38 34.52 1shq s VAL 353 CO 0.04 0.57 0.65 0.28 0.00 0.00 0.00 175.10 176.64 1shq s THR 354 N -0.32 0.00 0.25 3.92 -1.32 -0.24 -1.18 115.64 116.75 1shq s THR 354 Ca 0.01 -1.26 0.11 0.00 -1.21 0.00 0.00 61.69 59.34 1shq s THR 354 Cb -0.12 -2.71 -0.05 0.00 -1.51 0.00 0.00 72.50 68.11 1shq s THR 354 CO 0.02 0.00 -0.15 0.00 -2.21 0.00 0.00 174.62 172.28 1shq s ALA 355 N -2.77 2.83 0.04 11.08 0.00 -1.23 -1.33 121.76 130.38 1shq s ALA 355 Ca 0.22 -1.74 -0.07 0.00 0.00 0.00 0.00 51.96 50.37 1shq s ALA 355 Cb -0.03 -0.44 -0.30 0.00 0.00 0.00 0.00 23.12 22.35 1shq s ALA 355 CO 0.15 0.33 1.01 0.38 0.00 0.00 0.00 175.76 177.63 1shq h ASP 356 N 2.43 0.52 -5.00 0.00 2.03 -1.92 -3.48 116.42 111.00 1shq h ASP 356 Ca -0.43 -0.60 0.11 0.00 -0.73 0.00 0.00 57.03 55.38 1shq h ASP 356 Cb 1.24 -0.17 -0.11 0.00 -0.83 0.00 0.00 39.33 39.46 1shq h ASP 356 CO 0.57 1.48 0.42 -1.38 -1.03 0.00 0.00 179.24 179.30 1shq s HIS 357 N -2.63 -0.27 0.00 4.15 -3.43 -1.26 -4.88 115.29 106.96 1shq s HIS 357 Ca -0.07 0.03 0.00 0.00 -0.80 0.00 0.00 55.06 54.22 1shq s HIS 357 Cb 0.06 0.60 0.00 0.00 -1.43 0.00 0.00 32.58 31.81 1shq s HIS 357 CO 0.89 -0.78 0.00 0.41 -2.00 0.00 0.00 174.74 173.26 1shq n GLY 358 N -0.38 0.51 3.15 -1.38 0.00 -1.17 -2.89 105.19 103.02 1shq n GLY 358 Ca -0.08 -1.90 -0.10 0.00 0.00 0.00 0.00 46.02 43.94 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 0.24 0.78 -0.07 1.61 3.76 -1.21 -1.90 115.29 118.50 1shq s HIS 359 Ca 0.00 -0.97 0.00 0.00 -0.15 0.00 0.00 55.06 53.94 1shq s HIS 359 Cb 0.00 -0.48 0.06 0.00 1.11 0.00 0.00 32.58 33.27 1shq s HIS 359 CO 0.00 -0.23 1.70 0.25 -0.85 0.00 0.00 174.74 175.61 1shq n THR 360 N -0.00 1.87 -2.54 1.30 -2.24 -1.26 -4.62 114.28 106.78 1shq n THR 360 Ca -0.12 -0.60 -0.42 0.00 -2.27 0.00 0.00 64.05 60.64 1shq n THR 360 Cb 0.61 -1.28 -0.03 0.00 -2.10 0.00 0.00 70.33 67.53 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 -0.43 4.42 0.17 3.22 2.96 -1.26 -0.76 118.68 127.00 1shq s LEU 361 Ca 0.07 1.94 0.07 0.00 -0.22 0.00 0.00 54.13 56.00 1shq s LEU 361 Cb 0.06 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.12 1shq s LEU 361 CO 0.00 -0.30 -0.15 0.42 -1.32 0.00 0.00 176.35 175.00 1shq s THR 362 N 0.50 1.66 -0.42 3.68 -4.23 0.15 -4.78 115.64 112.20 1shq s THR 362 Ca 0.53 -2.01 0.02 0.00 -1.18 0.00 0.00 61.69 59.05 1shq s THR 362 Cb -0.27 -1.87 0.11 0.00 1.34 0.00 0.00 72.50 71.81 1shq s THR 362 CO 0.31 -0.48 0.17 -0.63 -0.54 0.00 0.00 174.62 173.45 1shq s ILE 363 N -2.52 2.66 0.58 2.99 1.01 -1.26 -2.39 121.20 122.26 1shq s ILE 363 Ca 0.17 -2.61 -0.08 0.00 0.00 0.00 0.00 60.65 58.14 1shq s ILE 363 Cb -0.03 -2.88 -0.02 0.00 0.01 0.00 0.00 42.46 39.54 1shq s ILE 363 CO 0.06 -0.69 0.92 0.42 0.00 0.00 0.00 174.94 175.65 1shq s THR 364 N 0.55 4.36 0.56 2.92 -4.23 0.14 -5.02 115.64 114.92 1shq s THR 364 Ca 0.13 0.38 0.05 0.00 -1.18 0.00 0.00 61.69 61.06 1shq s THR 364 Cb -0.22 -3.72 0.06 0.00 1.34 0.00 0.00 72.50 69.97 1shq s THR 364 CO -0.05 -0.81 0.77 -0.83 -0.54 0.00 0.00 174.62 173.16 1shq s GLY 365 N -4.21 1.82 -0.49 3.99 0.00 -1.26 -4.67 107.32 102.51 1shq s GLY 365 Ca 0.52 -1.69 0.06 0.00 0.00 0.00 0.00 44.72 43.61 1shq s GLY 365 CO 0.48 -1.34 0.50 -1.72 0.00 0.00 0.00 173.10 171.03 1shq n TYR 366 N -2.29 0.72 -2.62 1.90 4.01 -1.26 -4.78 117.16 112.83 1shq n TYR 366 Ca 0.11 -3.70 -0.35 0.00 -0.16 0.00 0.00 57.90 53.80 1shq n TYR 366 Cb 0.60 -0.24 -0.05 0.00 -0.31 0.00 0.00 39.34 39.34 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 -1.08 3.01 0.78 -0.72 0.00 -1.26 -4.99 121.76 117.49 1shq s ALA 367 Ca 0.34 0.59 -0.14 0.00 0.00 0.00 0.00 51.96 52.74 1shq s ALA 367 Cb 0.10 -3.23 0.05 0.00 0.00 0.00 0.00 23.12 20.03 1shq s ALA 367 CO -0.13 -0.14 1.09 -0.25 0.00 0.00 0.00 175.76 176.33 1shq n ASP 368 N -0.47 0.77 -4.57 0.00 8.00 -1.26 -4.93 116.55 114.10 1shq n ASP 368 Ca 0.07 0.62 -0.43 0.00 0.71 0.00 0.00 54.79 55.76 1shq n ASP 368 Cb 0.52 -1.46 -0.00 0.00 -0.02 0.00 0.00 41.12 40.15 1shq n ASP 368 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1shq n ARG 369 N -2.63 1.15 -0.97 -1.24 5.12 -1.26 -2.00 116.66 114.83 1shq n ARG 369 Ca 0.13 0.41 0.00 0.00 -1.93 0.00 0.00 57.85 56.46 1shq n ARG 369 Cb 0.50 -1.83 0.00 0.00 -1.16 0.00 0.00 32.46 29.97 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 0.97 -1.31 -4.77 0.55 3.02 -1.26 -5.01 115.26 107.46 1shq n ASN 370 Ca 0.10 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.26 1shq n ASN 370 Cb 0.36 -0.43 -0.05 0.00 -0.61 0.00 0.00 39.78 39.05 1shq n ASN 370 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1shq s THR 371 N -3.01 3.82 0.12 3.41 2.01 -0.85 -4.95 115.64 116.19 1shq s THR 371 Ca 0.00 1.68 -0.31 0.00 0.31 0.00 0.00 61.69 63.37 1shq s THR 371 Cb 0.00 -4.01 -0.10 0.00 0.01 0.00 0.00 72.50 68.40 1shq s THR 371 CO 0.00 0.28 1.83 -0.62 -0.69 0.00 0.00 174.62 175.42 1shq s ASP 372 N -1.24 6.43 0.60 3.53 -1.08 -1.26 -4.85 116.67 118.81 1shq s ASP 372 Ca 0.47 2.74 0.30 0.00 -0.52 0.00 0.00 52.55 55.54 1shq s ASP 372 Cb -0.26 -2.56 1.70 0.00 -1.46 0.00 0.00 42.92 40.34 1shq s ASP 372 CO 0.33 -1.00 2.10 -0.29 0.52 0.00 0.00 175.17 176.83 1shq h ILE 373 N 4.73 0.41 -0.34 4.11 6.09 -1.92 0.17 117.51 130.76 1shq h ILE 373 Ca -0.46 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.03 1shq h ILE 373 Cb 1.22 0.83 0.00 0.00 0.47 0.00 0.00 36.82 39.34 1shq h ILE 373 CO 0.95 0.00 0.00 0.18 -3.07 0.00 0.00 178.15 176.21 1shq n LEU 374 N -3.70 2.19 -4.96 2.19 4.77 -1.26 -4.28 117.00 111.95 1shq n LEU 374 Ca 0.01 -1.03 -0.27 0.00 -0.03 0.00 0.00 56.01 54.69 1shq n LEU 374 Cb 0.32 -0.23 0.15 0.00 -2.33 0.00 0.00 43.42 41.33 1shq n LEU 374 CO 0.26 0.52 0.73 -0.62 -1.33 0.00 0.00 177.39 176.95 1shq s ASP 375 N -1.22 3.72 0.73 -1.43 -1.08 0.58 -4.88 116.67 113.10 1shq s ASP 375 Ca 0.31 0.03 -0.13 0.00 -0.52 0.00 0.00 52.55 52.24 1shq s ASP 375 Cb 0.16 -0.25 0.03 0.00 -1.46 0.00 0.00 42.92 41.41 1shq s ASP 375 CO 0.23 -2.31 1.11 -0.36 0.52 0.00 0.00 175.17 174.36 1shq s PHE 376 N -3.55 2.50 -0.16 -5.34 0.08 -1.26 -2.12 117.98 108.12 1shq s PHE 376 Ca 0.70 1.57 0.12 0.00 0.12 0.00 0.00 56.93 59.44 1shq s PHE 376 Cb -0.05 -3.15 -0.18 0.00 -0.57 0.00 0.00 43.02 39.06 1shq s PHE 376 CO 0.49 -1.87 0.02 0.00 -0.10 0.00 0.00 175.22 173.76 1shq n ALA 377 N -3.00 1.61 0.00 5.36 0.00 0.02 -4.44 120.51 120.06 1shq n ALA 377 Ca 0.10 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.54 1shq n ALA 377 Cb 0.52 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.91 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 2.11 -0.58 3.22 0.00 0.00 -1.22 -4.14 105.19 104.57 1shq n GLY 378 Ca -0.27 -0.72 -0.28 0.00 0.00 0.00 0.00 46.02 44.76 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 -3.52 1.69 0.16 -0.61 1.01 -1.26 -1.65 121.20 117.03 1shq s ILE 379 Ca 0.00 -0.90 -0.30 0.00 0.00 0.00 0.00 60.65 59.45 1shq s ILE 379 Cb 0.00 -1.42 -0.08 0.00 0.01 0.00 0.00 42.46 40.97 1shq s ILE 379 CO 0.00 0.48 1.33 -0.55 0.00 0.00 0.00 174.94 176.20 1shq s SER 380 N -0.35 6.88 0.00 3.58 0.15 -0.50 -4.91 113.70 118.55 1shq s SER 380 Ca 0.04 2.36 0.25 0.00 0.70 0.00 0.00 55.95 59.30 1shq s SER 380 Cb -0.10 -2.60 1.36 0.00 -1.71 0.00 0.00 66.02 62.97 1shq s SER 380 CO 0.00 -0.56 1.89 -0.90 1.20 0.00 0.00 173.24 174.87 1shq n ASP 381 N 3.11 0.37 -0.13 5.45 5.68 -1.26 -0.98 116.55 128.78 1shq n ASP 381 Ca 0.08 -1.31 -0.23 0.00 -0.50 0.00 0.00 54.79 52.84 1shq n ASP 381 Cb 0.43 -0.01 -0.11 0.00 -1.14 0.00 0.00 41.12 40.28 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 -0.63 2.58 0.00 -2.12 4.77 -1.26 -4.73 117.00 115.61 1shq n LEU 382 Ca 0.19 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1shq n LEU 382 Cb 0.15 -0.88 0.00 0.00 -2.33 0.00 0.00 43.42 40.36 1shq n LEU 382 CO 0.14 0.80 0.44 -0.90 -1.33 0.00 0.00 177.39 176.54 1shq n ASP 383 N -3.65 1.75 -1.79 -1.43 5.68 -1.24 -5.00 116.55 110.87 1shq n ASP 383 Ca -0.49 -1.77 -0.18 0.00 -0.50 0.00 0.00 54.79 51.84 1shq n ASP 383 Cb 0.95 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.87 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 -0.39 -4.96 -4.58 -1.12 2.03 -0.16 -4.98 116.55 102.40 1shq n ASP 384 Ca 0.00 0.33 -0.32 0.00 0.52 0.00 0.00 54.79 55.32 1shq n ASP 384 Cb 0.20 -4.35 -0.11 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 -3.99 2.49 0.78 -0.67 0.52 -1.26 -4.80 118.95 112.02 1shq s ARG 385 Ca 0.00 -0.76 -0.15 0.00 -0.52 0.00 0.00 55.73 54.30 1shq s ARG 385 Cb 0.00 -2.46 0.02 0.00 0.52 0.00 0.00 34.95 33.03 1shq s ARG 385 CO 0.00 0.59 0.85 0.54 0.02 0.00 0.00 175.30 177.30 1shq n ARG 386 N 1.53 0.23 -3.96 3.54 1.74 -1.26 -1.41 116.66 117.07 1shq n ARG 386 Ca -0.15 0.14 -0.09 0.00 -0.77 0.00 0.00 57.85 56.97 1shq n ARG 386 Cb 0.52 -2.14 -0.10 0.00 -1.02 0.00 0.00 32.46 29.73 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 -2.02 0.26 0.31 -1.55 1.13 -0.66 -4.65 117.35 110.16 1shq s TYR 387 Ca 0.69 -0.57 -0.06 0.00 -1.41 0.00 0.00 57.07 55.72 1shq s TYR 387 Cb -0.31 -0.19 -0.05 0.00 -1.10 0.00 0.00 41.96 40.31 1shq s TYR 387 CO 0.55 -0.32 0.59 0.95 -2.51 0.00 0.00 175.55 174.81 1shq s THR 388 N -2.42 4.98 0.17 -3.49 -4.23 -1.26 -0.80 115.64 108.59 1shq s THR 388 Ca -0.07 0.16 -0.15 0.00 -1.18 0.00 0.00 61.69 60.46 1shq s THR 388 Cb -0.02 -3.73 0.08 0.00 1.34 0.00 0.00 72.50 70.17 1shq s THR 388 CO -0.04 -0.35 1.71 0.40 -0.54 0.00 0.00 174.62 175.80 1shq h ILE 389 N 1.32 0.74 -2.86 2.99 2.04 -1.64 -3.42 117.51 116.68 1shq h ILE 389 Ca -0.48 -0.06 -0.63 0.00 1.00 0.00 0.00 64.86 64.69 1shq h ILE 389 Cb 1.19 0.54 -0.06 0.00 -0.74 0.00 0.00 36.82 37.75 1shq h ILE 389 CO 0.66 0.03 -0.34 -0.76 0.00 0.00 0.00 178.15 177.75 1shq s LEU 390 N -10.46 4.42 0.33 1.44 1.43 -1.26 0.26 118.68 114.84 1shq s LEU 390 Ca -0.13 0.71 -0.18 0.00 -1.03 0.00 0.00 54.13 53.50 1shq s LEU 390 Cb 0.14 -2.42 0.05 0.00 0.03 0.00 0.00 46.19 43.99 1shq s LEU 390 CO 0.72 0.34 0.82 1.51 0.23 0.00 0.00 176.35 179.96 1shq s ASP 391 N -1.19 -0.05 0.13 2.29 1.47 -1.01 -4.70 116.67 113.62 1shq s ASP 391 Ca 0.21 -0.96 0.07 0.00 1.18 0.00 0.00 52.55 53.05 1shq s ASP 391 Cb -0.14 0.77 -0.04 0.00 -0.34 0.00 0.00 42.92 43.17 1shq s ASP 391 CO 0.10 -1.51 -0.16 -0.31 0.68 0.00 0.00 175.17 173.98 1shq s TYR 392 N -2.61 1.57 -0.15 2.11 1.51 -0.40 0.31 117.35 119.68 1shq s TYR 392 Ca 0.15 -0.51 0.20 0.00 -1.01 0.00 0.00 57.07 55.90 1shq s TYR 392 Cb -0.05 -0.81 0.42 0.00 -0.11 0.00 0.00 41.96 41.41 1shq s TYR 392 CO 0.09 0.21 1.61 0.78 -1.11 0.00 0.00 175.55 177.14 1shq h GLY 393 N 3.48 0.00 -4.52 0.71 0.00 -1.25 -2.06 103.07 99.43 1shq h GLY 393 Ca -0.41 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.78 1shq h GLY 393 CO 0.50 0.00 -0.54 -0.45 0.00 0.00 0.00 176.54 176.05 1shq s SER 394 N -6.28 0.12 0.00 0.19 0.15 -1.26 -2.49 113.70 104.13 1shq s SER 394 Ca 0.04 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.31 1shq s SER 394 Cb 0.08 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.58 1shq s SER 394 CO 0.69 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 175.33 1shq n GLY 395 N 1.22 1.28 0.00 9.45 0.00 -1.08 -4.64 105.19 111.42 1shq n GLY 395 Ca -0.22 -2.06 0.11 0.00 0.00 0.00 0.00 46.02 43.86 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 -1.62 0.19 0.31 1.61 -0.04 0.47 -2.59 135.00 133.34 1shq n PRO 396 Ca 0.00 0.08 0.19 0.00 -0.04 0.00 0.00 63.50 63.73 1shq n PRO 396 Cb 0.00 -1.50 1.02 0.00 -0.04 0.00 0.00 33.50 32.98 1shq n PRO 396 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1shq h GLY 397 N 3.91 0.00 -4.53 0.55 0.00 -1.81 -3.44 103.07 97.75 1shq h GLY 397 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 1shq h GLY 397 CO 0.00 0.00 0.86 -0.47 0.00 0.00 0.00 176.54 176.93 1shq s TYR 398 N -4.27 3.04 -0.23 5.60 6.14 -1.24 -3.97 117.35 122.43 1shq s TYR 398 Ca -0.04 0.70 -0.04 0.00 0.64 0.00 0.00 57.07 58.33 1shq s TYR 398 Cb 0.13 -3.91 0.12 0.00 0.42 0.00 0.00 41.96 38.72 1shq s TYR 398 CO 0.49 -3.30 0.39 -1.58 0.64 0.00 0.00 175.55 172.19 1shq s HIS 399 N 0.90 -0.83 -0.35 4.97 2.46 -1.26 -4.92 115.29 116.26 1shq s HIS 399 Ca 0.68 1.05 -0.15 0.00 0.47 0.00 0.00 55.06 57.11 1shq s HIS 399 Cb -0.44 0.11 -0.01 0.00 -0.13 0.00 0.00 32.58 32.12 1shq s HIS 399 CO 0.34 -0.65 0.36 0.42 -2.47 0.00 0.00 174.74 172.74 1shq s ILE 400 N 2.57 5.17 1.11 0.89 1.01 -1.26 -1.15 121.20 129.54 1shq s ILE 400 Ca 0.09 -0.01 -0.14 0.00 0.00 0.00 0.00 60.65 60.59 1shq s ILE 400 Cb -0.14 -3.84 0.20 0.00 0.01 0.00 0.00 42.46 38.69 1shq s ILE 400 CO -0.15 -0.12 0.68 0.35 0.00 0.00 0.00 174.94 175.70 1shq n THR 401 N 5.25 0.00 -0.33 2.92 -2.24 -0.10 -4.80 114.28 114.98 1shq n THR 401 Ca -0.09 -0.33 0.11 0.00 -2.27 0.00 0.00 64.05 61.47 1shq n THR 401 Cb 0.49 -0.85 0.32 0.00 -2.10 0.00 0.00 70.33 68.19 1shq n THR 401 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1shq h GLU 402 N -2.32 0.79 -0.33 -0.78 5.08 -1.98 -0.15 114.58 114.90 1shq h GLU 402 Ca -0.56 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.76 1shq h GLU 402 Cb 1.33 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1shq h GLU 402 CO 0.44 0.52 0.00 -0.40 -1.00 0.00 0.00 179.01 178.57 1shq n ASP 403 N -4.66 1.77 -0.11 1.42 5.75 -1.26 -4.91 116.55 114.56 1shq n ASP 403 Ca 0.20 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 53.00 1shq n ASP 403 Cb 0.48 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 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 1.03 0.58 3.84 6.12 0.00 -0.07 -5.07 105.19 111.63 1shq n GLY 404 Ca 0.11 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 45.05 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 2.23 -0.15 1.61 -0.14 -1.26 -4.89 119.74 113.11 1shq s LYS 405 Ca 0.00 -2.16 -0.22 0.00 -1.36 0.00 0.00 55.97 52.23 1shq s LYS 405 Cb 0.00 -1.88 -0.03 0.00 -1.68 0.00 0.00 37.83 34.24 1shq s LYS 405 CO 0.00 -0.50 0.64 0.50 -0.76 0.00 0.00 175.35 175.23 1shq s ARG 406 N -4.11 4.30 0.18 1.68 3.52 -1.26 -0.92 118.95 122.34 1shq s ARG 406 Ca 0.23 0.70 -0.33 0.00 -0.13 0.00 0.00 55.73 56.20 1shq s ARG 406 Cb -0.01 -3.52 -0.14 0.00 -1.56 0.00 0.00 34.95 29.72 1shq s ARG 406 CO 0.14 -0.10 1.42 0.98 -0.81 0.00 0.00 175.30 176.93 1shq n TYR 407 N 4.50 1.99 -3.49 5.12 9.36 -0.30 -4.84 117.16 129.50 1shq n TYR 407 Ca -0.02 0.44 -0.42 0.00 3.32 0.00 0.00 57.90 61.22 1shq n TYR 407 Cb 0.50 -2.45 -0.10 0.00 -0.63 0.00 0.00 39.34 36.67 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 0.17 3.13 0.44 2.98 2.12 -1.26 -5.00 118.70 121.28 1shq s GLU 408 Ca 0.75 -0.90 -0.25 0.00 0.36 0.00 0.00 54.97 54.92 1shq s GLU 408 Cb -0.73 -3.91 -0.08 0.00 0.26 0.00 0.00 34.13 29.67 1shq s GLU 408 CO 0.46 -0.65 1.39 -2.14 -0.54 0.00 0.00 175.26 173.77 1shq s PRO 409 N 1.69 3.73 0.42 4.30 0.02 -1.26 -4.99 135.00 138.90 1shq s PRO 409 Ca 0.05 2.33 0.08 0.00 0.02 0.00 0.00 61.00 63.48 1shq s PRO 409 Cb -0.18 -2.65 -0.02 0.00 0.02 0.00 0.00 34.50 31.66 1shq s PRO 409 CO 0.10 -0.75 0.35 0.95 -0.33 0.00 0.00 177.00 177.32 1shq s THR 410 N -1.23 2.59 0.51 0.99 -4.23 -1.26 -4.89 115.64 108.12 1shq s THR 410 Ca 0.61 -1.40 0.17 0.00 -1.18 0.00 0.00 61.69 59.89 1shq s THR 410 Cb -0.42 -2.99 0.26 0.00 1.34 0.00 0.00 72.50 70.69 1shq s THR 410 CO 0.53 0.00 2.12 -0.08 -0.54 0.00 0.00 174.62 176.66 1shq h GLU 411 N 1.08 0.00 -0.12 3.99 4.81 -2.01 -1.65 114.58 120.69 1shq h GLU 411 Ca -0.42 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 58.62 1shq h GLU 411 Cb 1.26 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.65 1shq h GLU 411 CO 0.59 0.05 -0.67 1.49 -0.73 0.00 0.00 179.01 179.75 1shq h GLU 412 N 0.00 0.67 -0.23 1.92 4.81 -2.00 -3.16 114.58 116.58 1shq h GLU 412 Ca -0.00 -0.55 0.06 0.00 -0.13 0.00 0.00 59.36 58.73 1shq h GLU 412 Cb 0.09 0.12 -0.07 0.00 0.63 0.00 0.00 28.75 29.52 1shq h GLU 412 CO 0.01 1.17 -0.25 -0.44 -0.73 0.00 0.00 179.01 178.76 1shq h ASP 413 N 0.34 -0.81 -0.54 1.04 3.32 -1.71 -2.03 116.42 116.03 1shq h ASP 413 Ca -0.05 0.14 0.14 0.00 0.02 0.00 0.00 57.03 57.29 1shq h ASP 413 Cb 1.31 0.38 -0.03 0.00 0.22 0.00 0.00 39.33 41.21 1shq h ASP 413 CO 0.14 -0.29 0.38 -0.07 -1.72 0.00 0.00 179.24 177.68 1shq h LEU 414 N -0.27 0.07 0.00 1.55 3.38 -1.37 -1.48 115.31 117.19 1shq h LEU 414 Ca 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1shq h LEU 414 Cb 0.47 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1shq h LEU 414 CO -0.38 0.04 -0.67 0.11 0.09 0.00 0.00 178.44 177.63 1shq h LYS 415 N 0.08 0.00 -6.29 1.13 1.57 -1.40 -3.46 116.57 108.20 1shq h LYS 415 Ca 0.26 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.46 1shq h LYS 415 Cb 0.92 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.20 1shq h LYS 415 CO -0.02 0.04 1.26 0.34 -0.57 0.00 0.00 179.45 180.49 1shq s ASP 416 N -5.71 5.95 0.00 0.86 -1.08 -0.56 -4.89 116.67 111.24 1shq s ASP 416 Ca 0.02 1.30 0.03 0.00 -0.52 0.00 0.00 52.55 53.38 1shq s ASP 416 Cb 0.08 -2.53 0.15 0.00 -1.46 0.00 0.00 42.92 39.16 1shq s ASP 416 CO 0.75 -1.66 1.06 2.30 0.52 0.00 0.00 175.17 178.14 1shq n ILE 417 N 7.36 1.57 0.07 4.11 -5.35 -1.26 -0.28 119.36 125.58 1shq n ILE 417 Ca 0.22 0.39 0.08 0.00 -0.27 0.00 0.00 62.75 63.17 1shq n ILE 417 Cb 0.47 -1.33 0.16 0.00 -1.74 0.00 0.00 39.64 37.19 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 -1.44 2.92 -4.73 7.28 3.02 -1.26 -4.61 115.26 116.44 1shq n ASN 418 Ca 0.01 -1.87 -0.42 0.00 -0.03 0.00 0.00 54.58 52.27 1shq n ASN 418 Cb 0.04 -0.21 -0.03 0.00 -0.61 0.00 0.00 39.78 38.97 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 -1.10 3.44 -0.46 3.10 5.36 0.61 -4.96 117.98 123.97 1shq s PHE 419 Ca 0.27 1.36 -0.17 0.00 -0.96 0.00 0.00 56.93 57.43 1shq s PHE 419 Cb 0.15 -3.43 0.05 0.00 -0.34 0.00 0.00 43.02 39.45 1shq s PHE 419 CO 0.21 -1.25 0.49 1.03 -1.46 0.00 0.00 175.22 174.24 1shq s ARG 420 N 0.36 3.07 0.66 10.12 0.52 -1.26 -4.40 118.95 128.02 1shq s ARG 420 Ca 0.56 -0.96 -0.17 0.00 -0.52 0.00 0.00 55.73 54.64 1shq s ARG 420 Cb -0.31 -4.05 0.00 0.00 0.52 0.00 0.00 34.95 31.11 1shq s ARG 420 CO 0.33 -1.02 1.22 0.71 0.02 0.00 0.00 175.30 176.56 1shq s TYR 421 N 2.17 2.19 0.49 -0.53 1.51 -0.70 -4.58 117.35 117.90 1shq s TYR 421 Ca 0.11 1.54 -0.24 0.00 -1.01 0.00 0.00 57.07 57.48 1shq s TYR 421 Cb -0.20 -3.51 -0.07 0.00 -0.11 0.00 0.00 41.96 38.07 1shq s TYR 421 CO 0.11 -2.52 1.37 0.00 -1.11 0.00 0.00 175.55 173.40 1shq n ALA 422 N -2.16 1.71 -2.53 3.71 0.00 -1.26 -3.98 120.51 115.99 1shq n ALA 422 Ca 0.14 0.19 -0.25 0.00 0.00 0.00 0.00 53.44 53.52 1shq n ALA 422 Cb 0.50 -2.35 -0.11 0.00 0.00 0.00 0.00 19.45 17.49 1shq n ALA 422 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1shq s SER 423 N -0.68 3.40 0.06 0.00 1.04 -1.25 -1.28 113.70 114.99 1shq s SER 423 Ca 0.66 -1.28 0.21 0.00 0.48 0.00 0.00 55.95 56.02 1shq s SER 423 Cb -0.44 -0.29 -0.18 0.00 0.10 0.00 0.00 66.02 65.20 1shq s SER 423 CO 0.54 -0.37 0.71 0.00 0.98 0.00 0.00 173.24 175.09 1shq n ALA 424 N -0.80 2.53 -3.52 5.32 0.00 -0.77 -4.15 120.51 119.12 1shq n ALA 424 Ca -0.05 -0.46 -0.24 0.00 0.00 0.00 0.00 53.44 52.70 1shq n ALA 424 Cb 0.65 -0.87 -0.14 0.00 0.00 0.00 0.00 19.45 19.09 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 -3.33 0.16 0.24 0.00 0.00 -1.04 -5.00 121.76 112.78 1shq s ALA 425 Ca -0.05 -0.44 -0.30 0.00 0.00 0.00 0.00 51.96 51.17 1shq s ALA 425 Cb 0.11 -1.37 -0.10 0.00 0.00 0.00 0.00 23.12 21.77 1shq s ALA 425 CO 0.85 -1.44 1.42 -1.25 0.00 0.00 0.00 175.76 175.33 1shq s PRO 426 N 2.21 4.29 -0.23 0.00 0.04 -1.26 -2.63 135.00 137.43 1shq s PRO 426 Ca 0.07 2.26 -0.23 0.00 0.04 0.00 0.00 61.00 63.13 1shq s PRO 426 Cb -0.16 -3.13 0.06 0.00 0.04 0.00 0.00 34.50 31.32 1shq s PRO 426 CO -0.24 -0.39 0.65 0.21 0.04 0.00 0.00 177.00 177.28 1shq s LYS 427 N -0.31 0.79 0.19 4.56 2.20 -1.07 -4.83 119.74 121.27 1shq s LYS 427 Ca 0.59 0.86 -0.12 0.00 -0.36 0.00 0.00 55.97 56.93 1shq s LYS 427 Cb -0.41 0.38 0.20 0.00 -1.51 0.00 0.00 37.83 36.49 1shq s LYS 427 CO 0.42 -0.11 1.73 1.25 -0.36 0.00 0.00 175.35 178.28 1shq h HIS 428 N 4.95 0.25 -3.19 4.03 -0.00 -1.94 0.13 115.15 119.37 1shq h HIS 428 Ca -0.28 0.03 -0.66 0.00 -0.00 0.00 0.00 60.37 59.46 1shq h HIS 428 Cb 1.16 -0.03 -0.34 0.00 -0.00 0.00 0.00 27.41 28.20 1shq h HIS 428 CO 0.39 0.05 -0.86 0.45 -0.00 0.00 0.00 177.93 177.96 1shq s SER 429 N -5.35 2.98 0.45 3.26 0.15 -1.26 -4.26 113.70 109.67 1shq s SER 429 Ca -0.13 -0.57 -0.23 0.00 0.70 0.00 0.00 55.95 55.71 1shq s SER 429 Cb 0.15 -1.38 -0.10 0.00 -1.71 0.00 0.00 66.02 62.99 1shq s SER 429 CO 0.73 0.05 0.97 0.55 1.20 0.00 0.00 173.24 176.75 1shq n VAL 430 N 4.18 2.57 -1.92 4.45 3.14 -0.52 -4.75 118.33 125.48 1shq n VAL 430 Ca -0.20 -0.50 -0.31 0.00 -2.96 0.00 0.00 64.34 60.37 1shq n VAL 430 Cb 0.51 -1.12 0.01 0.00 -1.06 0.00 0.00 33.84 32.18 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 -1.33 4.72 1.16 1.55 -4.23 -1.26 -4.77 115.64 111.48 1shq s THR 431 Ca 0.65 0.85 -0.16 0.00 -1.18 0.00 0.00 61.69 61.85 1shq s THR 431 Cb -0.53 -3.87 0.27 0.00 1.34 0.00 0.00 72.50 69.71 1shq s THR 431 CO 0.56 -1.12 1.06 -1.00 -0.54 0.00 0.00 174.62 173.57 1shq s HIS 432 N -3.15 1.05 -0.03 3.99 3.76 -1.26 -4.38 115.29 115.28 1shq s HIS 432 Ca 0.55 0.79 0.06 0.00 -0.15 0.00 0.00 55.06 56.31 1shq s HIS 432 Cb -0.11 -3.25 -0.02 0.00 1.11 0.00 0.00 32.58 30.31 1shq s HIS 432 CO 0.53 -3.72 -0.21 0.34 -0.85 0.00 0.00 174.74 170.83 1shq s ASP 433 N -3.39 3.51 0.00 1.40 -1.08 -0.80 -4.73 116.67 111.59 1shq s ASP 433 Ca 0.68 -0.36 0.28 0.00 -0.52 0.00 0.00 52.55 52.63 1shq s ASP 433 Cb -0.16 -0.57 1.02 0.00 -1.46 0.00 0.00 42.92 41.75 1shq s ASP 433 CO 0.58 0.32 1.76 0.61 0.52 0.00 0.00 175.17 178.96 1shq n GLY 434 N 2.30 -1.22 3.75 2.66 0.00 -1.26 -3.07 105.19 108.35 1shq n GLY 434 Ca -0.17 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.23 1shq n GLY 434 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1shq n THR 435 N -1.30 3.64 -1.51 2.61 -1.04 -1.26 -4.70 114.28 110.72 1shq n THR 435 Ca 0.09 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.05 61.21 1shq n THR 435 Cb 0.32 -1.72 0.03 0.00 -1.82 0.00 0.00 70.33 67.13 1shq n THR 435 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1shq n ASP 436 N -0.85 -0.29 -4.68 8.00 9.92 -1.26 -4.47 116.55 122.91 1shq n ASP 436 Ca 0.09 0.85 -0.25 0.00 -0.53 0.00 0.00 54.79 54.95 1shq n ASP 436 Cb 0.44 -1.22 -0.08 0.00 -0.64 0.00 0.00 41.12 39.61 1shq n ASP 436 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1shq s VAL 437 N -1.54 2.33 0.49 2.53 -7.23 -0.63 -4.72 120.40 111.64 1shq s VAL 437 Ca 0.67 -1.84 -0.08 0.00 -1.81 0.00 0.00 61.98 58.93 1shq s VAL 437 Cb -0.51 -2.95 -0.04 0.00 0.56 0.00 0.00 36.38 33.44 1shq s VAL 437 CO 0.55 -0.06 0.83 -0.83 -0.31 0.00 0.00 175.10 175.28 1shq s GLY 438 N -3.81 1.63 -0.02 2.32 0.00 -1.26 -0.58 107.32 105.59 1shq s GLY 438 Ca 0.38 -0.36 0.02 0.00 0.00 0.00 0.00 44.72 44.76 1shq s GLY 438 CO 0.21 -0.17 -0.07 -0.42 0.00 0.00 0.00 173.10 172.65 1shq s ILE 439 N -2.74 0.65 -0.02 0.90 1.01 -0.21 -3.53 121.20 117.26 1shq s ILE 439 Ca 0.50 -0.28 0.01 0.00 0.00 0.00 0.00 60.65 60.88 1shq s ILE 439 Cb -0.10 -0.59 0.01 0.00 0.01 0.00 0.00 42.46 41.79 1shq s ILE 439 CO 0.43 0.21 -0.03 0.26 0.00 0.00 0.00 174.94 175.82 1shq s TRP 440 N 0.27 0.43 0.02 3.97 0.51 -0.32 -0.28 118.94 123.54 1shq s TRP 440 Ca -0.04 -0.07 -0.03 0.00 -2.12 0.00 0.00 56.10 53.85 1shq s TRP 440 Cb -0.08 -0.39 -0.02 0.00 -0.81 0.00 0.00 33.47 32.17 1shq s TRP 440 CO 0.00 -0.09 0.03 0.08 -0.51 0.00 0.00 176.95 176.46 1shq s VAL 441 N 0.53 0.12 -0.03 4.03 1.01 0.11 -0.48 120.40 125.69 1shq s VAL 441 Ca -0.06 -0.98 -0.11 0.00 0.00 0.00 0.00 61.98 60.84 1shq s VAL 441 Cb -0.09 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.78 1shq s VAL 441 CO -0.01 -0.54 0.25 0.21 0.00 0.00 0.00 175.10 175.01 1shq s ASN 442 N -1.70 -0.14 0.00 3.32 3.04 -0.09 -3.91 114.94 115.46 1shq s ASN 442 Ca -0.12 0.09 0.00 0.00 0.04 0.00 0.00 52.86 52.87 1shq s ASN 442 Cb -0.06 0.33 0.00 0.00 -1.54 0.00 0.00 41.25 39.98 1shq s ASN 442 CO -0.02 -0.35 0.00 0.61 -3.04 0.00 0.00 177.10 174.31 1shq n GLY 443 N 1.69 -0.96 3.64 1.21 0.00 -1.26 -1.12 105.19 108.40 1shq n GLY 443 Ca -0.20 -2.15 -0.49 0.00 0.00 0.00 0.00 46.02 43.18 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 -2.46 1.61 -0.02 -1.25 -1.74 135.00 132.84 1shq n PRO 444 Ca 0.00 0.61 -0.21 0.00 -2.02 0.00 0.00 63.50 61.89 1shq n PRO 444 Cb 0.00 -2.33 -0.00 0.00 -0.02 0.00 0.00 33.50 31.14 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 3.52 -1.08 0.23 6.00 3.72 -0.03 -4.82 117.46 125.00 1shq n PHE 445 Ca 0.19 0.06 0.08 0.00 -0.05 0.00 0.00 57.45 57.72 1shq n PHE 445 Cb 0.24 -3.99 0.57 0.00 -0.94 0.00 0.00 39.48 35.36 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 0.98 1.51 0.00 4.37 0.00 -1.60 -1.27 119.26 123.25 1shq h ALA 446 Ca -0.49 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1shq h ALA 446 Cb 1.36 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1shq h ALA 446 CO 0.57 0.23 0.00 -2.39 0.00 0.00 0.00 179.25 177.66 1shq n HIS 447 N -4.04 0.00 1.21 0.00 -0.00 -1.26 -1.38 115.22 109.74 1shq n HIS 447 Ca -0.02 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.84 1shq n HIS 447 Cb 0.26 0.00 0.68 0.00 -0.00 0.00 0.00 29.99 30.93 1shq n HIS 447 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1shq n LEU 448 N -0.70 0.00 -4.04 2.39 4.77 -0.48 -4.47 117.00 114.47 1shq n LEU 448 Ca 0.06 0.38 -0.34 0.00 -0.03 0.00 0.00 56.01 56.08 1shq n LEU 448 Cb 0.03 -0.38 -0.11 0.00 -2.33 0.00 0.00 43.42 40.63 1shq n LEU 448 CO 0.05 -0.01 0.01 -0.36 -1.33 0.00 0.00 177.39 175.75 1shq s PHE 449 N -2.76 3.40 0.00 -1.77 0.08 -0.48 -4.87 117.98 111.57 1shq s PHE 449 Ca 0.22 -2.92 0.00 0.00 0.12 0.00 0.00 56.93 54.35 1shq s PHE 449 Cb 0.19 -3.07 0.00 0.00 -0.57 0.00 0.00 43.02 39.57 1shq s PHE 449 CO 0.48 -0.78 0.00 0.25 -0.10 0.00 0.00 175.22 175.07 1shq n THR 450 N 3.15 0.00 0.00 0.64 -2.24 -1.26 -4.12 114.28 110.45 1shq n THR 450 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1shq n THR 450 Cb 0.36 -0.74 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 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 2.79 1.60 3.23 3.38 0.00 -1.26 -4.74 105.19 110.18 1shq n GLY 451 Ca 0.00 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 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 4.05 2.02 0.02 1.61 1.01 -1.26 -1.27 120.40 126.58 1shq s VAL 452 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 60.97 1shq s VAL 452 Cb 0.00 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 1shq s VAL 452 CO 0.00 0.55 -0.03 -0.31 0.00 0.00 0.00 175.10 175.31 1shq s TYR 453 N 0.21 0.27 0.59 5.22 2.02 -0.25 -4.97 117.35 120.43 1shq s TYR 453 Ca -0.14 -0.48 -0.20 0.00 -0.37 0.00 0.00 57.07 55.88 1shq s TYR 453 Cb -0.17 -0.19 -0.03 0.00 -0.40 0.00 0.00 41.96 41.17 1shq s TYR 453 CO 0.07 -0.16 1.31 -1.21 -1.57 0.00 0.00 175.55 173.99 1shq s GLU 454 N -1.32 2.93 0.49 -0.62 0.41 -1.26 -0.95 118.70 118.37 1shq s GLU 454 Ca -0.14 2.10 0.20 0.00 -0.41 0.00 0.00 54.97 56.72 1shq s GLU 454 Cb -0.09 -2.07 1.25 0.00 -1.78 0.00 0.00 34.13 31.44 1shq s GLU 454 CO -0.01 -1.31 2.07 1.49 -0.49 0.00 0.00 175.26 177.01 1shq h GLU 455 N 1.08 0.00 0.00 1.61 4.81 -1.63 -1.98 114.58 118.46 1shq h GLU 455 Ca -0.51 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1shq h GLU 455 Cb 1.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.69 1shq h GLU 455 CO 0.56 0.12 0.00 0.27 -0.73 0.00 0.00 179.01 179.22 1shq n ASN 456 N -4.14 0.00 0.12 1.04 6.94 -1.26 -2.96 115.26 114.99 1shq n ASN 456 Ca -0.02 0.31 0.05 0.00 -0.02 0.00 0.00 54.58 54.89 1shq n ASN 456 Cb 0.20 -0.43 0.47 0.00 -2.36 0.00 0.00 39.78 37.67 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 0.28 -0.17 -2.53 3.20 -1.64 -3.36 116.97 112.75 1shq h TYR 457 Ca 0.00 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.91 1shq h TYR 457 Cb 0.34 -0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.45 1shq h TYR 457 CO 0.00 0.25 -0.46 0.82 -1.64 0.00 0.00 178.16 177.13 1shq h ILE 458 N 0.28 0.09 0.00 1.81 2.04 -1.73 -1.20 117.51 118.80 1shq h ILE 458 Ca 0.07 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.89 1shq h ILE 458 Cb 0.11 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 1shq h ILE 458 CO -0.00 0.00 -0.20 1.55 0.00 0.00 0.00 178.15 179.49 1shq h PRO 459 N -0.50 0.00 -0.20 2.37 0.13 -1.71 0.16 132.00 132.25 1shq h PRO 459 Ca 0.07 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.13 1shq h PRO 459 Cb 0.64 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.77 1shq h PRO 459 CO -0.44 0.20 -0.17 0.45 -0.23 0.00 0.00 178.00 177.82 1shq h HIS 460 N 0.00 0.56 -0.42 1.56 3.86 -1.50 0.57 115.15 119.77 1shq h HIS 460 Ca -0.00 -0.16 -0.04 0.00 -1.16 0.00 0.00 60.37 59.00 1shq h HIS 460 Cb 0.53 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.86 1shq h HIS 460 CO 0.00 0.81 0.09 0.00 0.86 0.00 0.00 177.93 179.69 1shq h ALA 461 N 0.66 0.55 -0.83 2.45 0.00 -0.72 -1.75 119.26 119.64 1shq h ALA 461 Ca 0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1shq h ALA 461 Cb 0.70 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1shq h ALA 461 CO 0.04 0.25 0.43 -0.07 0.00 0.00 0.00 179.25 179.90 1shq h LEU 462 N 0.54 1.05 -0.63 0.00 3.38 -0.42 -2.30 115.31 116.94 1shq h LEU 462 Ca 0.13 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1shq h LEU 462 Cb 0.34 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1shq h LEU 462 CO 0.00 0.87 0.39 0.00 0.09 0.00 0.00 178.44 179.79 1shq h ALA 463 N 1.23 0.81 -0.79 1.53 0.00 0.43 -0.48 119.26 121.97 1shq h ALA 463 Ca 0.29 -0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.24 1shq h ALA 463 Cb 0.07 -0.26 -0.08 0.00 0.00 0.00 0.00 17.79 17.52 1shq h ALA 463 CO -0.04 0.28 0.41 -0.92 0.00 0.00 0.00 179.25 178.97 1shq h TYR 464 N 0.86 0.72 0.00 0.00 5.03 -0.78 0.46 116.97 123.26 1shq h TYR 464 Ca 0.23 0.03 -0.15 0.00 2.58 0.00 0.00 58.73 61.42 1shq h TYR 464 Cb -0.03 -0.20 -0.02 0.00 1.55 0.00 0.00 36.73 38.02 1shq h TYR 464 CO -0.02 0.22 -0.69 0.00 -1.32 0.00 0.00 178.16 176.35 1shq h ALA 465 N 1.50 0.56 0.00 1.82 0.00 -1.01 -1.74 119.26 120.39 1shq h ALA 465 Ca 0.41 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1shq h ALA 465 Cb 0.50 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1shq h ALA 465 CO -0.31 0.86 -0.61 0.00 0.00 0.00 0.00 179.25 179.19 1shq n ALA 466 N -2.28 3.59 -3.10 0.00 0.00 -0.23 0.87 120.51 119.36 1shq n ALA 466 Ca 0.01 -0.37 -0.14 0.00 0.00 0.00 0.00 53.44 52.95 1shq n ALA 466 Cb 0.81 -1.08 0.07 0.00 0.00 0.00 0.00 19.45 19.25 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 -3.31 0.65 0.03 0.00 -7.23 -0.86 -5.01 120.40 104.66 1shq s VAL 468 Ca 0.17 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.34 1shq s VAL 468 Cb -0.02 -2.66 0.00 0.00 0.56 0.00 0.00 36.38 34.26 1shq s VAL 468 CO 0.62 -0.00 0.00 0.61 -0.31 0.00 0.00 175.10 176.02 1shq n GLY 469 N -0.49 -2.05 0.96 2.32 0.00 -1.26 -4.58 105.19 100.09 1shq n GLY 469 Ca -0.00 -1.41 0.08 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.04 1.84 -2.94 2.61 -2.24 -1.26 -4.99 114.28 106.26 1shq n THR 470 Ca 0.00 -1.48 0.00 0.00 -2.27 0.00 0.00 64.05 60.30 1shq n THR 470 Cb 0.07 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 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 0.10 2.14 3.76 3.38 0.00 -1.26 -5.05 105.19 108.26 1shq n GLY 471 Ca 0.19 -2.12 -0.41 0.00 0.00 0.00 0.00 46.02 43.68 1shq n GLY 471 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1shq s ARG 472 N -1.34 4.21 0.04 1.61 3.52 -1.26 -5.01 118.95 120.73 1shq s ARG 472 Ca 0.00 2.41 0.03 0.00 -0.13 0.00 0.00 55.73 58.04 1shq s ARG 472 Cb 0.00 -3.05 -0.02 0.00 -1.56 0.00 0.00 34.95 30.32 1shq s ARG 472 CO 0.00 -0.46 -0.09 0.99 -0.81 0.00 0.00 175.30 174.93 1shq s THR 473 N -0.44 0.68 0.35 4.11 2.01 -1.26 -4.11 115.64 116.98 1shq s THR 473 Ca 0.57 -1.01 0.03 0.00 0.31 0.00 0.00 61.69 61.59 1shq s THR 473 Cb -0.44 -0.70 0.23 0.00 0.01 0.00 0.00 72.50 71.60 1shq s THR 473 CO 0.50 -0.26 1.97 0.15 -0.69 0.00 0.00 174.62 176.30 1shq h PHE 474 N 4.69 0.73 0.00 4.92 3.57 -1.63 -1.67 116.94 127.55 1shq h PHE 474 Ca -0.36 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.09 1shq h PHE 474 Cb 1.20 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 1shq h PHE 474 CO 0.60 0.51 -0.22 0.00 -2.23 0.00 0.00 178.31 176.98