#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yns s SER 5 N 0.00 5.87 0.31 1.96 1.04 -1.26 0.20 113.70 121.82 1yns s SER 5 Ca 0.00 -0.67 -0.29 0.00 0.48 0.00 0.00 55.95 55.47 1yns s SER 5 Cb 0.00 -2.08 -0.10 0.00 0.10 0.00 0.00 66.02 63.93 1yns s SER 5 CO 0.00 -0.30 1.41 -0.69 0.98 0.00 0.00 173.24 174.64 1yns s VAL 6 N 1.65 2.51 0.51 5.02 1.01 0.44 -4.94 120.40 126.59 1yns s VAL 6 Ca 0.05 0.47 -0.23 0.00 0.00 0.00 0.00 61.98 62.27 1yns s VAL 6 Cb -0.18 -3.30 -0.06 0.00 0.00 0.00 0.00 36.38 32.84 1yns s VAL 6 CO 0.08 0.10 1.33 -2.16 0.00 0.00 0.00 175.10 174.45 1yns s PRO 7 N -1.31 3.40 0.54 2.72 0.04 -1.26 -4.88 135.00 134.26 1yns s PRO 7 Ca 0.54 2.17 0.25 0.00 0.04 0.00 0.00 61.00 64.00 1yns s PRO 7 Cb -0.42 -2.38 1.43 0.00 0.04 0.00 0.00 34.50 33.17 1yns s PRO 7 CO 0.52 -0.96 2.03 0.00 0.04 0.00 0.00 177.00 178.62 1yns h ALA 8 N 1.79 2.30 0.00 8.56 0.00 -1.93 -1.91 119.26 128.06 1yns h ALA 8 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1yns h ALA 8 Cb 1.28 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1yns h ALA 8 CO 0.59 -0.52 0.00 -0.85 0.00 0.00 0.00 179.25 178.47 1yns n GLU 9 N -4.25 0.10 -2.44 0.00 0.28 -1.26 -4.82 120.64 108.25 1yns n GLU 9 Ca 0.07 0.21 -0.42 0.00 -0.16 0.00 0.00 57.16 56.85 1yns n GLU 9 Cb 0.50 -1.64 -0.03 0.00 1.43 0.00 0.00 31.44 31.70 1yns n GLU 9 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1yns s VAL 10 N -3.09 4.06 0.00 3.84 1.01 -0.72 -4.39 120.40 121.11 1yns s VAL 10 Ca 0.09 1.50 0.00 0.00 0.00 0.00 0.00 61.98 63.57 1yns s VAL 10 Cb 0.13 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1yns s VAL 10 CO 0.44 0.13 0.12 0.35 0.00 0.00 0.00 175.10 176.14 1yns n THR 11 N 3.78 0.00 -4.12 3.92 -2.24 0.04 -5.01 114.28 110.67 1yns n THR 11 Ca 0.08 -0.31 -0.17 0.00 -2.27 0.00 0.00 64.05 61.38 1yns n THR 11 Cb 0.47 1.14 -0.15 0.00 -2.10 0.00 0.00 70.33 69.69 1yns n THR 11 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1yns s VAL 12 N -0.39 0.39 -0.23 2.28 1.01 -0.50 -1.95 120.40 121.02 1yns s VAL 12 Ca 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 61.98 61.81 1yns s VAL 12 Cb 0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 36.38 35.99 1yns s VAL 12 CO 0.00 0.15 -0.03 -0.63 0.00 0.00 0.00 175.10 174.59 1yns s ILE 13 N 0.39 3.43 -0.24 2.22 -1.09 -0.38 -1.09 121.20 124.44 1yns s ILE 13 Ca -0.04 -0.56 -0.10 0.00 -2.23 0.00 0.00 60.65 57.72 1yns s ILE 13 Cb -0.08 -2.60 -0.05 0.00 -1.58 0.00 0.00 42.46 38.15 1yns s ILE 13 CO -0.00 0.36 0.14 -0.22 -1.23 0.00 0.00 174.94 173.98 1yns s LEU 14 N 1.47 4.00 -0.14 2.97 2.96 0.39 -1.63 118.68 128.70 1yns s LEU 14 Ca 0.05 0.07 -0.01 0.00 -0.22 0.00 0.00 54.13 54.02 1yns s LEU 14 Cb -0.15 -2.07 -0.02 0.00 0.50 0.00 0.00 46.19 44.46 1yns s LEU 14 CO -0.02 0.06 -0.11 -0.76 -1.32 0.00 0.00 176.35 174.19 1yns s LEU 15 N 1.06 2.78 0.74 -0.68 1.43 0.72 -1.13 118.68 123.60 1yns s LEU 15 Ca 0.07 -0.31 -0.11 0.00 -1.03 0.00 0.00 54.13 52.74 1yns s LEU 15 Cb -0.14 -1.64 0.03 0.00 0.03 0.00 0.00 46.19 44.48 1yns s LEU 15 CO 0.04 0.15 1.10 -0.62 0.23 0.00 0.00 176.35 177.25 1yns s ASP 16 N 0.44 5.14 0.00 2.29 2.15 -0.83 -1.27 116.67 124.60 1yns s ASP 16 Ca -0.09 1.16 0.00 0.00 0.43 0.00 0.00 52.55 54.05 1yns s ASP 16 Cb -0.16 -1.93 0.00 0.00 -0.30 0.00 0.00 42.92 40.54 1yns s ASP 16 CO 0.05 -1.54 0.00 -0.38 -0.17 0.00 0.00 175.17 173.13 1yns n ILE 17 N -3.14 0.00 -1.68 4.11 5.41 -1.26 -3.95 119.36 118.85 1yns n ILE 17 Ca 0.07 0.16 -0.45 0.00 1.00 0.00 0.00 62.75 63.53 1yns n ILE 17 Cb 0.57 -1.07 -0.04 0.00 -0.71 0.00 0.00 39.64 38.39 1yns n ILE 17 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1yns n GLU 18 N -1.87 2.41 -0.63 0.38 2.13 -1.26 -0.74 120.64 121.05 1yns n GLU 18 Ca 0.00 0.87 0.00 0.00 0.66 0.00 0.00 57.16 58.69 1yns n GLU 18 Cb 0.00 -2.70 0.00 0.00 0.27 0.00 0.00 31.44 29.01 1yns n GLU 18 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1yns n GLY 19 N 3.87 1.62 0.97 8.31 0.00 0.22 -4.74 105.19 115.43 1yns n GLY 19 Ca 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.20 1yns n GLY 19 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1yns n THR 20 N -2.00 0.82 -0.02 2.61 -1.04 -0.05 -4.42 114.28 110.18 1yns n THR 20 Ca 0.00 0.27 0.08 0.00 -2.04 0.00 0.00 64.05 62.36 1yns n THR 20 Cb 0.00 -1.43 -0.17 0.00 -1.82 0.00 0.00 70.33 66.91 1yns n THR 20 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1yns n THR 21 N -3.19 0.21 -4.43 12.58 -2.24 0.08 -4.91 114.28 112.38 1yns n THR 21 Ca -0.01 -0.55 -0.21 0.00 -2.27 0.00 0.00 64.05 61.01 1yns n THR 21 Cb 0.02 -0.07 -0.16 0.00 -2.10 0.00 0.00 70.33 68.03 1yns n THR 21 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1yns s THR 22 N -3.36 0.85 0.54 4.28 2.01 -0.80 -1.40 115.64 117.75 1yns s THR 22 Ca -0.08 -0.38 -0.22 0.00 0.31 0.00 0.00 61.69 61.32 1yns s THR 22 Cb 0.13 -0.76 -0.05 0.00 0.01 0.00 0.00 72.50 71.83 1yns s THR 22 CO 0.90 0.27 1.31 -2.16 -0.69 0.00 0.00 174.62 174.25 1yns s PRO 23 N 0.27 3.22 0.33 4.92 0.04 -1.26 0.70 135.00 143.21 1yns s PRO 23 Ca -0.05 2.12 0.01 0.00 0.04 0.00 0.00 61.00 63.12 1yns s PRO 23 Cb -0.10 -2.25 0.55 0.00 0.04 0.00 0.00 34.50 32.75 1yns s PRO 23 CO 0.01 -1.09 1.98 0.82 0.04 0.00 0.00 177.00 178.76 1yns h ILE 24 N 1.45 1.17 -0.94 0.56 2.04 -1.92 -2.44 117.51 117.43 1yns h ILE 24 Ca -0.51 -0.34 0.11 0.00 1.00 0.00 0.00 64.86 65.13 1yns h ILE 24 Cb 1.29 0.11 -0.07 0.00 -0.74 0.00 0.00 36.82 37.40 1yns h ILE 24 CO 0.57 0.18 0.60 0.00 0.00 0.00 0.00 178.15 179.50 1yns h ALA 25 N 1.55 1.62 -0.10 1.87 0.00 -1.90 0.18 119.26 122.47 1yns h ALA 25 Ca 0.28 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1yns h ALA 25 Cb -0.07 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1yns h ALA 25 CO -0.07 0.17 -0.00 0.35 0.00 0.00 0.00 179.25 179.70 1yns h PHE 26 N 0.91 0.20 0.37 0.00 3.57 -1.81 0.51 116.94 120.69 1yns h PHE 26 Ca 0.45 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.90 1yns h PHE 26 Cb 0.48 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.17 1yns h PHE 26 CO -0.00 0.43 -0.18 0.28 -2.23 0.00 0.00 178.31 176.61 1yns h VAL 27 N -0.09 0.60 -0.33 1.41 2.07 -1.36 0.51 116.25 119.06 1yns h VAL 27 Ca 0.03 -0.46 -0.15 0.00 0.82 0.00 0.00 66.70 66.94 1yns h VAL 27 Cb 0.35 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1yns h VAL 27 CO 0.01 0.08 -0.40 0.50 0.02 0.00 0.00 177.57 177.77 1yns h LYS 28 N -0.78 0.80 -0.01 1.57 3.64 -0.74 -2.85 116.57 118.20 1yns h LYS 28 Ca -0.05 -0.42 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1yns h LYS 28 Cb 0.52 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1yns h LYS 28 CO 0.08 1.06 -0.48 -0.25 -2.27 0.00 0.00 179.45 177.59 1yns n ASP 29 N -4.04 1.65 0.07 4.20 8.00 0.17 -4.42 116.55 122.18 1yns n ASP 29 Ca -0.02 -1.32 0.00 0.00 0.71 0.00 0.00 54.79 54.15 1yns n ASP 29 Cb 0.54 0.57 0.00 0.00 -0.02 0.00 0.00 41.12 42.21 1yns n ASP 29 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1yns n ILE 30 N -0.31 0.74 0.01 0.53 5.41 -0.53 -4.69 119.36 120.51 1yns n ILE 30 Ca 0.07 0.25 -0.10 0.00 1.00 0.00 0.00 62.75 63.97 1yns n ILE 30 Cb 0.38 -1.18 -0.03 0.00 -0.71 0.00 0.00 39.64 38.10 1yns n ILE 30 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1yns h LEU 31 N 0.00 -0.67 0.07 1.39 5.85 -0.94 -2.38 115.31 118.62 1yns h LEU 31 Ca 0.00 0.11 -0.20 0.00 0.84 0.00 0.00 57.88 58.63 1yns h LEU 31 Cb 0.00 0.30 0.02 0.00 0.37 0.00 0.00 40.66 41.35 1yns h LEU 31 CO 0.00 -0.27 -0.82 -0.26 -0.34 0.00 0.00 178.44 176.75 1yns h PHE 32 N -0.28 0.69 -0.21 1.25 -1.00 -1.76 -3.26 116.94 112.37 1yns h PHE 32 Ca 0.10 -0.43 0.06 0.00 2.81 0.00 0.00 57.97 60.51 1yns h PHE 32 Cb 0.43 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 39.92 1yns h PHE 32 CO -0.32 1.27 0.18 -1.35 -1.61 0.00 0.00 178.31 176.48 1yns h PRO 33 N -0.08 0.00 -0.97 1.51 0.11 -1.76 -0.71 132.00 130.09 1yns h PRO 33 Ca -0.12 0.00 0.13 0.00 0.11 0.00 0.00 66.00 66.12 1yns h PRO 33 Cb 1.55 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.58 1yns h PRO 33 CO 0.16 0.00 0.62 -0.92 -0.21 0.00 0.00 178.00 177.64 1yns h TYR 34 N 0.00 1.06 0.28 0.65 3.20 -1.46 -1.99 116.97 118.70 1yns h TYR 34 Ca 0.10 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 1yns h TYR 34 Cb 0.45 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.39 1yns h TYR 34 CO 0.00 0.40 -0.13 0.82 -1.64 0.00 0.00 178.16 177.61 1yns h ILE 35 N 0.91 0.73 -0.66 1.81 1.08 -1.26 -1.37 117.51 118.75 1yns h ILE 35 Ca 0.49 -0.03 0.04 0.00 -0.39 0.00 0.00 64.86 64.97 1yns h ILE 35 Cb 0.56 0.75 -0.04 0.00 -3.07 0.00 0.00 36.82 35.03 1yns h ILE 35 CO -0.25 0.01 0.44 -0.33 -0.69 0.00 0.00 178.15 177.32 1yns h GLU 36 N -0.39 0.72 0.00 2.37 5.08 -1.48 -0.37 114.58 120.52 1yns h GLU 36 Ca -0.04 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.19 1yns h GLU 36 Cb 0.30 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1yns h GLU 36 CO 0.06 0.48 -0.43 0.93 -1.00 0.00 0.00 179.01 179.05 1yns h GLU 37 N 0.75 0.00 -0.00 2.33 5.08 -1.05 -3.36 114.58 118.32 1yns h GLU 37 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1yns h GLU 37 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1yns h GLU 37 CO -0.08 0.43 -0.14 0.09 -1.00 0.00 0.00 179.01 178.30 1yns n ASN 38 N -3.50 0.91 -0.32 1.42 3.02 -0.54 -4.75 115.26 111.49 1yns n ASN 38 Ca -0.00 -0.96 -0.04 0.00 -0.03 0.00 0.00 54.58 53.56 1yns n ASN 38 Cb 0.56 0.51 0.08 0.00 -0.61 0.00 0.00 39.78 40.32 1yns n ASN 38 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1yns h VAL 39 N 0.65 1.24 0.01 2.41 3.04 -1.24 0.04 116.25 122.41 1yns h VAL 39 Ca 0.00 -0.49 -0.00 0.00 -1.01 0.00 0.00 66.70 65.20 1yns h VAL 39 Cb 0.21 -0.01 0.00 0.00 -2.01 0.00 0.00 31.29 29.48 1yns h VAL 39 CO 0.00 0.24 -0.00 0.50 -1.01 0.00 0.00 177.57 177.30 1yns h LYS 40 N 1.20 -0.01 -0.46 4.17 3.64 -1.85 -0.70 116.57 122.55 1yns h LYS 40 Ca 0.32 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.74 1yns h LYS 40 Cb -0.08 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 1yns h LYS 40 CO -0.06 0.20 0.23 1.49 -2.27 0.00 0.00 179.45 179.04 1yns h GLU 41 N -0.23 0.44 -0.04 1.90 4.81 -1.84 -0.03 114.58 119.59 1yns h GLU 41 Ca -0.00 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1yns h GLU 41 Cb 0.22 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1yns h GLU 41 CO 0.00 0.29 -0.05 -0.92 -0.73 0.00 0.00 179.01 177.60 1yns h TYR 42 N 0.45 -0.12 -0.60 0.92 3.20 -0.87 -0.98 116.97 118.98 1yns h TYR 42 Ca 0.20 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.01 1yns h TYR 42 Cb 0.11 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 1yns h TYR 42 CO -0.10 -0.08 0.12 -0.07 -1.64 0.00 0.00 178.16 176.38 1yns h LEU 43 N -0.07 0.90 -0.30 2.82 3.38 -0.85 -1.00 115.31 120.18 1yns h LEU 43 Ca 0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1yns h LEU 43 Cb 0.12 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1yns h LEU 43 CO -0.08 0.89 0.17 1.56 0.09 0.00 0.00 178.44 181.07 1yns h GLN 44 N 0.90 0.42 -0.28 1.13 4.20 -0.70 -1.62 115.11 119.16 1yns h GLN 44 Ca 0.19 -0.05 -0.18 0.00 0.06 0.00 0.00 58.65 58.67 1yns h GLN 44 Cb 0.37 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1yns h GLN 44 CO 0.01 0.36 -0.54 1.15 -0.67 0.00 0.00 178.83 179.14 1yns h THR 45 N 0.37 1.28 -0.31 -0.54 2.02 -1.01 -3.35 112.91 111.37 1yns h THR 45 Ca 0.11 -1.72 0.00 0.00 0.77 0.00 0.00 66.41 65.56 1yns h THR 45 Cb 0.06 1.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 1yns h THR 45 CO -0.02 0.56 0.00 1.41 0.37 0.00 0.00 175.52 177.84 1yns n HIS 46 N -4.03 1.02 -0.35 3.16 8.25 -0.40 -4.71 115.22 118.17 1yns n HIS 46 Ca -0.05 -0.81 0.12 0.00 -0.26 0.00 0.00 57.72 56.72 1yns n HIS 46 Cb 0.62 -0.30 0.32 0.00 1.12 0.00 0.00 29.99 31.75 1yns n HIS 46 CO 0.00 0.00 0.00 2.35 0.64 0.00 0.00 176.34 179.33 1yns h TRP 47 N 2.11 1.04 0.00 4.41 2.91 -1.43 -0.82 115.95 124.17 1yns h TRP 47 Ca 0.00 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.05 1yns h TRP 47 Cb 1.42 -0.32 0.00 0.00 -0.51 0.00 0.00 29.16 29.75 1yns h TRP 47 CO 0.53 0.28 0.00 0.93 -1.03 0.00 0.00 178.44 179.15 1yns h GLU 48 N 0.79 0.00 -6.81 2.65 4.39 -1.87 -3.38 114.58 110.35 1yns h GLU 48 Ca 0.55 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.72 1yns h GLU 48 Cb 0.83 0.00 0.08 0.00 -0.10 0.00 0.00 28.75 29.56 1yns h GLU 48 CO -0.33 0.00 0.86 -1.21 -1.16 0.00 0.00 179.01 177.17 1yns s GLU 49 N -3.44 4.14 0.27 2.33 2.02 -0.31 -4.88 118.70 118.82 1yns s GLU 49 Ca 0.04 2.54 -0.01 0.00 0.02 0.00 0.00 54.97 57.56 1yns s GLU 49 Cb 0.09 -3.03 0.46 0.00 0.10 0.00 0.00 34.13 31.75 1yns s GLU 49 CO 0.51 -0.60 1.86 0.93 0.02 0.00 0.00 175.26 177.98 1yns h GLU 50 N 4.71 1.03 -0.64 1.61 5.08 -1.88 -0.27 114.58 124.22 1yns h GLU 50 Ca -0.47 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 57.74 1yns h GLU 50 Cb 1.22 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 1yns h GLU 50 CO 0.78 0.68 0.06 1.49 -1.00 0.00 0.00 179.01 181.02 1yns h GLU 51 N 1.07 1.09 -0.46 2.33 4.81 -1.93 -1.50 114.58 119.99 1yns h GLU 51 Ca 0.45 -0.31 -0.09 0.00 -0.13 0.00 0.00 59.36 59.28 1yns h GLU 51 Cb 0.31 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1yns h GLU 51 CO -0.22 1.02 -0.07 0.00 -0.73 0.00 0.00 179.01 179.01 1yns h GLN 53 N 0.71 1.15 -0.40 0.00 4.20 -0.87 0.21 115.11 120.10 1yns h GLN 53 Ca 0.12 -0.10 -0.13 0.00 0.06 0.00 0.00 58.65 58.60 1yns h GLN 53 Cb 0.61 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 1yns h GLN 53 CO 0.04 0.80 -0.27 1.96 -0.67 0.00 0.00 178.83 180.69 1yns h GLN 54 N 1.17 0.86 -0.26 1.46 4.20 -0.99 -1.23 115.11 120.32 1yns h GLN 54 Ca 0.31 -0.38 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 1yns h GLN 54 Cb -0.06 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 1yns h GLN 54 CO -0.06 1.03 0.07 -0.44 -0.67 0.00 0.00 178.83 178.76 1yns h ASP 55 N 0.73 0.38 -0.18 1.46 3.32 -0.27 -1.82 116.42 120.05 1yns h ASP 55 Ca 0.09 -0.22 -0.05 0.00 0.02 0.00 0.00 57.03 56.87 1yns h ASP 55 Cb 0.82 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 1yns h ASP 55 CO 0.07 0.50 -0.02 0.58 -1.72 0.00 0.00 179.24 178.65 1yns h VAL 56 N 0.25 1.19 -0.27 -1.35 2.07 -0.90 -1.44 116.25 115.81 1yns h VAL 56 Ca 0.08 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 1yns h VAL 56 Cb 0.26 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1yns h VAL 56 CO -0.00 0.26 0.16 0.28 0.02 0.00 0.00 177.57 178.29 1yns h SER 57 N 0.45 0.33 -0.60 0.57 0.02 -0.93 0.76 113.55 114.15 1yns h SER 57 Ca 0.10 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1yns h SER 57 Cb 0.34 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 1yns h SER 57 CO 0.01 0.30 0.32 -0.07 -1.14 0.00 0.00 176.83 176.25 1yns h LEU 58 N 0.33 0.75 -1.36 5.07 3.38 -0.82 -1.72 115.31 120.94 1yns h LEU 58 Ca 0.10 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1yns h LEU 58 Cb 0.04 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1yns h LEU 58 CO -0.02 0.64 -0.14 -0.07 0.09 0.00 0.00 178.44 178.95 1yns h LEU 59 N 0.81 0.24 -0.28 1.67 3.38 -0.87 -0.92 115.31 119.33 1yns h LEU 59 Ca 0.21 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 1yns h LEU 59 Cb 0.07 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1yns h LEU 59 CO -0.03 0.41 -0.16 -0.09 0.09 0.00 0.00 178.44 178.66 1yns h ARG 60 N 0.24 0.61 -0.30 1.13 2.43 -0.35 0.19 114.38 118.34 1yns h ARG 60 Ca 0.05 -0.28 0.01 0.00 -0.81 0.00 0.00 59.98 58.95 1yns h ARG 60 Cb 0.40 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 1yns h ARG 60 CO 0.02 0.86 0.17 0.87 -1.51 0.00 0.00 179.97 180.39 1yns h LYS 61 N 0.35 0.35 -0.78 0.20 1.57 -0.88 -1.35 116.57 116.03 1yns h LYS 61 Ca 0.06 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1yns h LYS 61 Cb 0.69 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.88 1yns h LYS 61 CO 0.05 0.23 0.43 0.37 -0.57 0.00 0.00 179.45 179.96 1yns h GLN 62 N 0.36 1.08 -0.62 3.15 5.75 -1.07 -1.93 115.11 121.82 1yns h GLN 62 Ca 0.12 -0.12 0.01 0.00 -0.15 0.00 0.00 58.65 58.51 1yns h GLN 62 Cb -0.00 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.30 1yns h GLN 62 CO -0.05 0.79 0.41 0.00 -2.65 0.00 0.00 178.83 177.33 1yns h ALA 63 N 1.23 1.58 -0.43 3.38 0.00 -0.43 -1.11 119.26 123.47 1yns h ALA 63 Ca 0.27 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 1yns h ALA 63 Cb 0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1yns h ALA 63 CO -0.05 0.39 -0.22 0.93 0.00 0.00 0.00 179.25 180.30 1yns h GLU 64 N 0.82 0.87 0.00 0.00 5.08 -0.52 -2.17 114.58 118.66 1yns h GLU 64 Ca 0.23 -0.36 -0.07 0.00 -1.00 0.00 0.00 59.36 58.16 1yns h GLU 64 Cb -0.06 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1yns h GLU 64 CO -0.05 1.00 -0.34 0.93 -1.00 0.00 0.00 179.01 179.55 1yns h GLU 65 N 0.75 0.00 -0.04 2.33 5.08 -0.68 -2.92 114.58 119.11 1yns h GLU 65 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1yns h GLU 65 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1yns h GLU 65 CO 0.06 0.34 0.00 -0.25 -1.00 0.00 0.00 179.01 178.16 1yns n ASP 66 N -3.57 2.29 -0.21 1.42 8.00 -0.51 -4.48 116.55 119.48 1yns n ASP 66 Ca -0.00 -1.76 0.31 0.00 0.71 0.00 0.00 54.79 54.04 1yns n ASP 66 Cb 0.47 -0.01 0.71 0.00 -0.02 0.00 0.00 41.12 42.27 1yns n ASP 66 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yns h ALA 67 N 4.52 2.86 0.00 2.24 0.00 -1.19 0.14 119.26 127.83 1yns h ALA 67 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1yns h ALA 67 Cb 0.75 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1yns h ALA 67 CO 0.00 -1.31 -0.02 1.12 0.00 0.00 0.00 179.25 179.05 1yns h HIS 68 N 0.00 0.00 -3.67 0.00 2.07 -1.83 -3.46 115.15 108.25 1yns h HIS 68 Ca 0.47 0.00 -0.52 0.00 -2.85 0.00 0.00 60.37 57.47 1yns h HIS 68 Cb 2.07 0.00 0.04 0.00 2.57 0.00 0.00 27.41 32.09 1yns h HIS 68 CO 0.00 0.02 0.61 -0.51 -3.07 0.00 0.00 177.93 174.97 1yns s LEU 69 N -6.22 4.45 0.11 6.12 1.43 0.47 -4.96 118.68 120.08 1yns s LEU 69 Ca 0.07 2.48 -0.31 0.00 -1.03 0.00 0.00 54.13 55.34 1yns s LEU 69 Cb 0.05 -3.63 -0.08 0.00 0.03 0.00 0.00 46.19 42.56 1yns s LEU 69 CO 0.67 -0.44 1.44 -0.62 0.23 0.00 0.00 176.35 177.63 1yns s ASP 70 N -0.24 6.77 0.00 2.29 2.15 -1.26 -1.82 116.67 124.55 1yns s ASP 70 Ca 0.51 2.37 0.00 0.00 0.43 0.00 0.00 52.55 55.86 1yns s ASP 70 Cb -0.37 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.67 1yns s ASP 70 CO 0.44 -0.71 0.00 0.61 -0.17 0.00 0.00 175.17 175.34 1yns n GLY 71 N 3.60 0.92 3.78 2.66 0.00 -1.26 -5.03 105.19 109.86 1yns n GLY 71 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1yns n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yns s ALA 72 N -3.08 3.58 -0.26 4.61 0.00 -0.75 -4.98 121.76 120.88 1yns s ALA 72 Ca 0.00 1.55 -0.11 0.00 0.00 0.00 0.00 51.96 53.40 1yns s ALA 72 Cb 0.00 -3.60 -0.05 0.00 0.00 0.00 0.00 23.12 19.47 1yns s ALA 72 CO 0.00 -1.02 0.18 0.08 0.00 0.00 0.00 175.76 175.00 1yns s VAL 73 N -1.02 5.30 0.50 0.00 1.01 -1.26 -5.04 120.40 119.89 1yns s VAL 73 Ca 0.53 0.16 -0.13 0.00 0.00 0.00 0.00 61.98 62.55 1yns s VAL 73 Cb -0.46 -3.50 -0.07 0.00 0.00 0.00 0.00 36.38 32.35 1yns s VAL 73 CO 0.61 0.29 0.92 -2.16 0.00 0.00 0.00 175.10 174.75 1yns s PRO 74 N 1.49 3.82 -0.64 2.72 0.04 -1.26 -4.78 135.00 136.38 1yns s PRO 74 Ca 0.07 0.73 0.06 0.00 0.04 0.00 0.00 61.00 61.90 1yns s PRO 74 Cb -0.15 -2.22 0.22 0.00 0.04 0.00 0.00 34.50 32.39 1yns s PRO 74 CO 0.08 -0.24 0.63 -0.89 0.04 0.00 0.00 177.00 176.62 1yns n ILE 75 N -1.73 1.80 -1.19 0.56 5.41 -1.26 -4.79 119.36 118.16 1yns n ILE 75 Ca 0.05 -4.96 -0.35 0.00 1.00 0.00 0.00 62.75 58.49 1yns n ILE 75 Cb 0.54 -2.11 0.10 0.00 -0.71 0.00 0.00 39.64 37.46 1yns n ILE 75 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1yns n PRO 76 N 1.34 0.26 -1.93 0.38 -0.02 -1.26 -4.92 135.00 128.84 1yns n PRO 76 Ca 0.26 0.14 -0.41 0.00 -2.02 0.00 0.00 63.50 61.47 1yns n PRO 76 Cb 0.40 -2.11 -0.02 0.00 -0.02 0.00 0.00 33.50 31.75 1yns n PRO 76 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yns s ALA 77 N -2.00 3.66 0.89 3.55 0.00 -1.26 -4.92 121.76 121.67 1yns s ALA 77 Ca 0.69 1.42 -0.15 0.00 0.00 0.00 0.00 51.96 53.92 1yns s ALA 77 Cb -0.31 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 19.19 1yns s ALA 77 CO 0.55 -0.83 0.14 0.00 0.00 0.00 0.00 175.76 175.62 1yns n ALA 78 N 2.10 -3.03 0.37 0.00 0.00 -1.26 -4.91 120.51 113.78 1yns n ALA 78 Ca 0.07 -0.52 0.11 0.00 0.00 0.00 0.00 53.44 53.10 1yns n ALA 78 Cb 0.39 -1.65 0.01 0.00 0.00 0.00 0.00 19.45 18.21 1yns n ALA 78 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1yns n SER 79 N 0.17 0.62 -0.40 0.00 3.41 -1.26 -5.02 113.62 111.13 1yns n SER 79 Ca 0.06 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 1yns n SER 79 Cb 0.53 0.75 0.00 0.00 -0.26 0.00 0.00 64.21 65.23 1yns n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1yns n GLY 80 N 1.30 0.64 0.34 5.00 0.00 -1.26 -5.03 105.19 106.17 1yns n GLY 80 Ca 0.01 -0.68 0.08 0.00 0.00 0.00 0.00 46.02 45.43 1yns n GLY 80 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1yns n ASN 81 N -0.01 1.92 -4.92 1.61 2.04 -1.26 -4.72 115.26 109.92 1yns n ASN 81 Ca 0.00 -3.26 -0.27 0.00 -0.44 0.00 0.00 54.58 50.61 1yns n ASN 81 Cb 0.00 -0.44 0.06 0.00 -2.53 0.00 0.00 39.78 36.87 1yns n ASN 81 CO 0.00 0.00 0.00 -0.83 -0.44 0.00 0.00 177.26 175.99 1yns s GLY 82 N -2.85 1.65 0.52 4.83 0.00 -1.26 -4.87 107.32 105.34 1yns s GLY 82 Ca 0.32 -0.78 0.26 0.00 0.00 0.00 0.00 44.72 44.52 1yns s GLY 82 CO -0.01 -0.39 2.09 -0.39 0.00 0.00 0.00 173.10 174.39 1yns h VAL 83 N -0.59 0.65 -0.12 1.40 -1.51 -1.99 -0.91 116.25 113.18 1yns h VAL 83 Ca -0.45 -0.47 -0.12 0.00 -1.23 0.00 0.00 66.70 64.43 1yns h VAL 83 Cb 1.30 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 31.76 1yns h VAL 83 CO 0.62 0.11 -0.39 -2.24 -1.23 0.00 0.00 177.57 174.44 1yns h ASP 84 N 0.00 0.55 -0.85 4.19 2.03 -1.99 -1.51 116.42 118.84 1yns h ASP 84 Ca -0.00 -0.60 -0.03 0.00 -0.73 0.00 0.00 57.03 55.66 1yns h ASP 84 Cb 0.28 -0.16 -0.04 0.00 -0.83 0.00 0.00 39.33 38.58 1yns h ASP 84 CO 0.01 1.06 0.41 0.44 -1.03 0.00 0.00 179.24 180.13 1yns h ASP 85 N 0.08 1.12 -0.69 4.15 3.32 -1.74 -2.43 116.42 120.22 1yns h ASP 85 Ca -0.01 -0.14 -0.07 0.00 0.02 0.00 0.00 57.03 56.83 1yns h ASP 85 Cb 1.01 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 40.25 1yns h ASP 85 CO 0.08 0.94 0.17 0.25 -1.72 0.00 0.00 179.24 178.96 1yns h LEU 86 N 1.22 1.06 -0.78 1.55 5.85 -1.14 -0.96 115.31 122.11 1yns h LEU 86 Ca 0.29 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1yns h LEU 86 Cb 0.12 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 1yns h LEU 86 CO -0.04 1.02 0.49 -0.61 -0.34 0.00 0.00 178.44 178.96 1yns h GLN 87 N 1.06 1.05 -0.53 1.25 4.15 -0.89 0.25 115.11 121.45 1yns h GLN 87 Ca 0.22 -0.09 -0.06 0.00 0.77 0.00 0.00 58.65 59.49 1yns h GLN 87 Cb 0.37 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 1yns h GLN 87 CO 0.00 0.73 0.09 1.96 -1.93 0.00 0.00 178.83 179.68 1yns h GLN 88 N 1.07 0.87 0.35 1.69 4.20 -1.05 -2.17 115.11 120.07 1yns h GLN 88 Ca 0.28 -0.23 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 1yns h GLN 88 Cb -0.07 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.61 1yns h GLN 88 CO -0.06 0.85 -0.17 1.98 -0.67 0.00 0.00 178.83 180.76 1yns h MET 89 N 0.75 -0.45 -0.61 1.46 4.05 -0.69 -2.47 114.93 116.98 1yns h MET 89 Ca 0.16 0.03 0.12 0.00 -0.28 0.00 0.00 59.70 59.73 1yns h MET 89 Cb 0.39 0.10 -0.09 0.00 -0.80 0.00 0.00 31.60 31.21 1yns h MET 89 CO 0.01 -0.30 0.10 0.82 0.23 0.00 0.00 176.91 177.76 1yns h ILE 90 N -0.47 0.60 -0.77 1.77 1.08 -0.87 -0.73 117.51 118.12 1yns h ILE 90 Ca -0.05 -0.08 0.05 0.00 -0.39 0.00 0.00 64.86 64.40 1yns h ILE 90 Cb 0.36 0.36 -0.05 0.00 -3.07 0.00 0.00 36.82 34.42 1yns h ILE 90 CO 0.08 0.04 0.47 -0.61 -0.69 0.00 0.00 178.15 177.43 1yns h GLN 91 N 0.22 0.84 -0.43 2.37 5.75 -1.23 0.71 115.11 123.34 1yns h GLN 91 Ca 0.32 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.77 1yns h GLN 91 Cb 0.49 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.83 1yns h GLN 91 CO -0.44 0.56 0.27 0.00 -2.65 0.00 0.00 178.83 176.57 1yns h ALA 92 N 1.36 0.55 -0.51 3.38 0.00 -0.69 0.12 119.26 123.47 1yns h ALA 92 Ca 0.33 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1yns h ALA 92 Cb 0.13 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1yns h ALA 92 CO -0.16 0.04 0.18 0.28 0.00 0.00 0.00 179.25 179.59 1yns h VAL 93 N 0.58 1.22 -0.10 0.00 2.07 -0.55 -0.03 116.25 119.44 1yns h VAL 93 Ca 0.16 -0.72 0.01 0.00 0.82 0.00 0.00 66.70 66.97 1yns h VAL 93 Cb -0.01 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1yns h VAL 93 CO -0.03 0.27 0.02 0.58 0.02 0.00 0.00 177.57 178.43 1yns h VAL 94 N 0.69 0.96 -0.99 2.57 2.07 -0.55 -0.12 116.25 120.88 1yns h VAL 94 Ca 0.17 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.67 1yns h VAL 94 Cb 0.23 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 1yns h VAL 94 CO -0.01 0.01 0.65 0.44 0.02 0.00 0.00 177.57 178.68 1yns h ASP 95 N 0.06 1.15 -0.39 0.57 3.32 -0.53 -0.89 116.42 119.72 1yns h ASP 95 Ca 0.04 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.00 1yns h ASP 95 Cb 0.04 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 1yns h ASP 95 CO -0.06 0.85 0.03 -1.13 -1.72 0.00 0.00 179.24 177.20 1yns h ASN 96 N 1.35 0.65 -0.06 6.45 -1.24 -0.61 -1.32 115.58 120.80 1yns h ASN 96 Ca 0.36 -0.29 -0.00 0.00 0.71 0.00 0.00 56.30 57.08 1yns h ASN 96 Cb -0.14 -0.17 -0.00 0.00 0.73 0.00 0.00 38.32 38.74 1yns h ASN 96 CO -0.08 0.78 0.04 0.58 -1.29 0.00 0.00 177.43 177.46 1yns h VAL 97 N 0.50 1.05 -0.53 2.57 2.07 -0.58 -1.18 116.25 120.16 1yns h VAL 97 Ca 0.11 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 1yns h VAL 97 Cb 0.43 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1yns h VAL 97 CO 0.01 0.04 0.21 0.00 0.02 0.00 0.00 177.57 177.85 1yns h TRP 99 N 0.75 -0.11 -0.82 0.00 7.01 -0.87 0.88 115.95 122.78 1yns h TRP 99 Ca 0.18 -0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.24 1yns h TRP 99 Cb 0.15 0.04 -0.05 0.00 -2.10 0.00 0.00 29.16 27.19 1yns h TRP 99 CO 0.01 0.03 0.54 1.96 -2.79 0.00 0.00 178.44 178.19 1yns h GLN 100 N -0.23 0.87 -0.01 2.65 4.20 -0.89 -1.56 115.11 120.14 1yns h GLN 100 Ca -0.01 -0.05 -0.15 0.00 0.06 0.00 0.00 58.65 58.50 1yns h GLN 100 Cb 0.19 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1yns h GLN 100 CO 0.02 0.57 -0.69 0.52 -0.67 0.00 0.00 178.83 178.59 1yns h MET 101 N 0.89 0.07 -0.52 1.46 2.86 -0.88 -2.20 114.93 116.62 1yns h MET 101 Ca 0.36 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.92 1yns h MET 101 Cb 0.24 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 1yns h MET 101 CO -0.13 0.73 0.27 0.66 1.06 0.00 0.00 176.91 179.50 1yns h SER 102 N 0.05 0.66 1.67 1.22 4.64 0.21 -3.13 113.55 118.86 1yns h SER 102 Ca -0.01 -0.11 -0.03 0.00 -0.47 0.00 0.00 61.79 61.17 1yns h SER 102 Cb 1.22 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1yns h SER 102 CO 0.09 0.58 -0.34 -0.07 -0.87 0.00 0.00 176.83 176.23 1yns h LEU 103 N 0.69 0.00 -0.03 5.97 3.38 -1.52 -3.48 115.31 120.31 1yns h LEU 103 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1yns h LEU 103 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1yns h LEU 103 CO -0.03 0.13 0.00 0.47 0.09 0.00 0.00 178.44 179.11 1yns n ASP 104 N -3.05 -0.11 -4.55 -0.43 9.92 -0.88 -5.02 116.55 112.43 1yns n ASP 104 Ca 0.02 0.00 -0.39 0.00 -0.53 0.00 0.00 54.79 53.89 1yns n ASP 104 Cb 0.59 -0.04 -0.03 0.00 -0.64 0.00 0.00 41.12 41.00 1yns n ASP 104 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1yns s ARG 105 N -0.87 2.85 -1.02 -1.24 0.52 -0.89 -4.95 118.95 113.35 1yns s ARG 105 Ca 0.00 0.27 -0.04 0.00 -0.52 0.00 0.00 55.73 55.44 1yns s ARG 105 Cb 0.00 -4.31 0.28 0.00 0.52 0.00 0.00 34.95 31.44 1yns s ARG 105 CO 0.00 -2.50 1.20 1.63 0.02 0.00 0.00 175.30 175.65 1yns n LYS 106 N 9.27 3.75 -1.85 3.54 5.02 -1.26 -4.63 118.16 131.99 1yns n LYS 106 Ca 0.13 -4.53 -0.30 0.00 -2.02 0.00 0.00 58.31 51.59 1yns n LYS 106 Cb 0.51 -2.48 0.05 0.00 -0.02 0.00 0.00 35.03 33.09 1yns n LYS 106 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1yns s THR 107 N -2.16 3.39 0.28 -0.18 -4.23 -1.26 -4.87 115.64 106.62 1yns s THR 107 Ca 0.32 0.45 0.02 0.00 -1.18 0.00 0.00 61.69 61.30 1yns s THR 107 Cb 0.00 -3.42 0.08 0.00 1.34 0.00 0.00 72.50 70.50 1yns s THR 107 CO 0.01 -0.59 1.74 0.74 -0.54 0.00 0.00 174.62 175.98 1yns h THR 108 N -0.71 1.25 -0.28 3.99 2.02 -1.98 -0.62 112.91 116.58 1yns h THR 108 Ca -0.45 -1.18 0.00 0.00 0.77 0.00 0.00 66.41 65.55 1yns h THR 108 Cb 1.26 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.90 1yns h THR 108 CO 0.63 0.38 0.18 0.00 0.37 0.00 0.00 175.52 177.08 1yns h ALA 109 N 1.32 0.35 0.02 6.16 0.00 -1.93 0.37 119.26 125.55 1yns h ALA 109 Ca 0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1yns h ALA 109 Cb 0.61 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1yns h ALA 109 CO 0.04 -0.17 -0.01 1.25 0.00 0.00 0.00 179.25 180.37 1yns h LEU 110 N 0.36 -0.02 -1.24 0.00 5.85 -1.87 -2.89 115.31 115.50 1yns h LEU 110 Ca 0.10 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.59 1yns h LEU 110 Cb -0.02 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 1yns h LEU 110 CO -0.02 0.26 0.53 0.11 -0.34 0.00 0.00 178.44 178.98 1yns h LYS 111 N -0.31 0.96 -0.23 1.25 1.57 -0.99 -1.25 116.57 117.57 1yns h LYS 111 Ca -0.00 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1yns h LYS 111 Cb 0.29 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1yns h LYS 111 CO 0.00 0.63 0.13 0.37 -0.57 0.00 0.00 179.45 180.02 1yns h GLN 112 N 0.99 0.31 -0.47 3.15 4.15 -0.87 -0.71 115.11 121.66 1yns h GLN 112 Ca 0.32 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.64 1yns h GLN 112 Cb 0.05 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 1yns h GLN 112 CO -0.10 0.27 0.03 1.25 -1.93 0.00 0.00 178.83 178.35 1yns h LEU 113 N 0.27 0.78 -0.66 -2.39 5.85 -1.24 -2.76 115.31 115.17 1yns h LEU 113 Ca 0.08 -0.29 0.06 0.00 0.84 0.00 0.00 57.88 58.57 1yns h LEU 113 Cb 0.04 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.80 1yns h LEU 113 CO -0.01 0.88 0.36 1.56 -0.34 0.00 0.00 178.44 180.89 1yns h GLN 114 N 0.66 0.65 -0.88 1.25 4.20 -0.98 -1.16 115.11 118.84 1yns h GLN 114 Ca 0.14 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 1yns h GLN 114 Cb 0.46 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 28.05 1yns h GLN 114 CO 0.02 0.43 0.54 0.78 -0.67 0.00 0.00 178.83 179.93 1yns h GLY 115 N 0.67 1.27 1.81 3.46 0.00 -0.97 0.16 103.07 109.47 1yns h GLY 115 Ca 0.29 -0.52 -0.15 0.00 0.00 0.00 0.00 47.33 46.96 1yns h GLY 115 CO -0.18 0.50 -0.62 0.45 0.00 0.00 0.00 176.54 176.69 1yns h HIS 116 N 1.21 0.25 -0.18 5.60 3.86 -1.13 -1.55 115.15 123.22 1yns h HIS 116 Ca 0.32 -0.10 -0.15 0.00 -1.16 0.00 0.00 60.37 59.28 1yns h HIS 116 Cb -0.07 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.36 1yns h HIS 116 CO 0.00 0.77 -0.48 0.52 0.86 0.00 0.00 177.93 179.60 1yns h MET 117 N 0.14 0.65 -0.15 2.45 2.07 -0.67 -3.03 114.93 116.38 1yns h MET 117 Ca -0.01 -0.45 -0.05 0.00 -2.07 0.00 0.00 59.70 57.12 1yns h MET 117 Cb 1.13 0.07 -0.01 0.00 -1.87 0.00 0.00 31.60 30.92 1yns h MET 117 CO 0.09 1.07 -0.13 -1.49 1.07 0.00 0.00 176.91 177.52 1yns h TRP 118 N 0.33 0.25 -0.90 -0.22 6.55 -0.60 -2.11 115.95 119.26 1yns h TRP 118 Ca -0.01 -0.03 0.05 0.00 0.95 0.00 0.00 58.89 59.85 1yns h TRP 118 Cb 1.09 -0.07 -0.06 0.00 -0.86 0.00 0.00 29.16 29.26 1yns h TRP 118 CO 0.09 0.37 0.59 -0.09 -1.05 0.00 0.00 178.44 178.35 1yns h ARG 119 N 0.23 1.03 -0.26 0.49 2.43 -1.16 -0.30 114.38 116.84 1yns h ARG 119 Ca 0.05 -0.06 -0.15 0.00 -0.81 0.00 0.00 59.98 59.00 1yns h ARG 119 Cb 0.38 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1yns h ARG 119 CO 0.02 0.68 -0.43 0.00 -1.51 0.00 0.00 179.97 178.74 1yns h ALA 120 N 1.50 0.40 0.08 2.80 0.00 -1.37 -1.31 119.26 121.36 1yns h ALA 120 Ca 0.37 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1yns h ALA 120 Cb 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1yns h ALA 120 CO -0.13 0.52 -0.04 0.00 0.00 0.00 0.00 179.25 179.61 1yns h ALA 121 N 0.66 -0.11 -0.06 0.00 0.00 -0.87 -1.82 119.26 117.06 1yns h ALA 121 Ca 0.02 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1yns h ALA 121 Cb 1.03 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.86 1yns h ALA 121 CO 0.10 -0.54 -0.48 0.74 0.00 0.00 0.00 179.25 179.07 1yns h PHE 122 N -0.15 0.60 -0.82 0.00 -1.00 -1.15 -0.38 116.94 114.04 1yns h PHE 122 Ca -0.01 -0.28 -0.01 0.00 2.81 0.00 0.00 57.97 60.48 1yns h PHE 122 Cb 0.12 -0.09 -0.04 0.00 3.61 0.00 0.00 35.95 39.55 1yns h PHE 122 CO -0.06 1.06 0.47 1.15 -1.61 0.00 0.00 178.31 179.33 1yns h THR 123 N -0.03 1.23 0.00 -1.55 2.02 -1.29 -1.15 112.91 112.14 1yns h THR 123 Ca -0.04 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.60 1yns h THR 123 Cb 1.15 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1yns h THR 123 CO 0.10 0.25 0.00 0.00 0.37 0.00 0.00 175.52 176.24 1yns n ALA 124 N -2.42 2.62 -1.23 6.16 0.00 -0.68 -4.90 120.51 120.06 1yns n ALA 124 Ca 0.09 -0.19 -0.08 0.00 0.00 0.00 0.00 53.44 53.26 1yns n ALA 124 Cb 0.08 -1.50 -0.03 0.00 0.00 0.00 0.00 19.45 18.00 1yns n ALA 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yns n GLY 125 N 0.96 0.98 0.10 0.00 0.00 -0.44 -4.91 105.19 101.89 1yns n GLY 125 Ca 0.22 -0.61 -0.06 0.00 0.00 0.00 0.00 46.02 45.57 1yns n GLY 125 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1yns h ARG 126 N 0.04 0.05 -4.86 1.61 3.08 -1.29 -3.46 114.38 109.55 1yns h ARG 126 Ca -0.16 -0.06 -0.30 0.00 0.07 0.00 0.00 59.98 59.52 1yns h ARG 126 Cb 0.54 0.02 -0.19 0.00 0.08 0.00 0.00 29.97 30.43 1yns h ARG 126 CO 0.24 0.90 -0.73 -1.64 -1.07 0.00 0.00 179.97 177.66 1yns s MET 127 N -3.04 0.75 -0.01 0.04 -1.94 -1.10 -5.03 119.30 108.97 1yns s MET 127 Ca -0.01 -1.05 0.03 0.00 -1.71 0.00 0.00 55.69 52.96 1yns s MET 127 Cb 0.11 -0.46 -0.01 0.00 2.01 0.00 0.00 34.83 36.48 1yns s MET 127 CO 0.81 0.07 -0.11 0.15 -0.01 0.00 0.00 175.02 175.93 1yns s LYS 128 N -2.47 0.96 -0.11 2.03 1.02 -1.26 -4.44 119.74 115.47 1yns s LYS 128 Ca 0.01 -0.40 -0.30 0.00 0.02 0.00 0.00 55.97 55.31 1yns s LYS 128 Cb -0.05 -0.92 -0.02 0.00 -0.52 0.00 0.00 37.83 36.33 1yns s LYS 128 CO -0.00 0.23 1.13 0.00 -0.92 0.00 0.00 175.35 175.78 1yns s ALA 129 N -0.18 3.51 -0.10 5.17 0.00 -0.01 -4.80 121.76 125.34 1yns s ALA 129 Ca 0.03 0.47 -0.27 0.00 0.00 0.00 0.00 51.96 52.18 1yns s ALA 129 Cb -0.05 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.54 1yns s ALA 129 CO -0.00 -0.80 0.90 -2.00 0.00 0.00 0.00 175.76 173.86 1yns s GLU 130 N 2.44 4.41 0.01 0.00 2.12 -1.26 -0.94 118.70 125.49 1yns s GLU 130 Ca 0.52 1.21 0.07 0.00 0.36 0.00 0.00 54.97 57.12 1yns s GLU 130 Cb -0.21 -3.52 -0.02 0.00 0.26 0.00 0.00 34.13 30.64 1yns s GLU 130 CO 0.18 -0.22 -0.20 -0.06 -0.54 0.00 0.00 175.26 174.42 1yns s PHE 131 N 1.71 1.75 0.51 5.30 0.40 -1.26 -4.27 117.98 122.11 1yns s PHE 131 Ca 0.44 -0.35 -0.22 0.00 -0.60 0.00 0.00 56.93 56.20 1yns s PHE 131 Cb -0.18 -1.08 -0.06 0.00 0.51 0.00 0.00 43.02 42.21 1yns s PHE 131 CO 0.18 0.03 1.27 -0.06 0.70 0.00 0.00 175.22 177.33 1yns s PHE 132 N -0.63 2.54 0.63 0.36 0.40 -0.49 -4.89 117.98 115.90 1yns s PHE 132 Ca 0.07 1.45 0.33 0.00 -0.60 0.00 0.00 56.93 58.18 1yns s PHE 132 Cb -0.08 -3.60 1.86 0.00 0.51 0.00 0.00 43.02 41.70 1yns s PHE 132 CO 0.00 -2.27 2.14 0.00 0.70 0.00 0.00 175.22 175.80 1yns h ALA 133 N 1.67 1.49 0.00 5.36 0.00 -2.00 -2.50 119.26 123.28 1yns h ALA 133 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1yns h ALA 133 Cb 1.28 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1yns h ALA 133 CO 0.58 -0.22 -0.34 0.38 0.00 0.00 0.00 179.25 179.65 1yns h ASP 134 N 0.00 0.00 0.44 0.00 3.04 -1.98 -3.41 116.42 114.51 1yns h ASP 134 Ca 0.04 -0.06 -0.02 0.00 -3.24 0.00 0.00 57.03 53.75 1yns h ASP 134 Cb 0.39 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.68 1yns h ASP 134 CO -0.00 0.03 -0.22 0.58 -2.04 0.00 0.00 179.24 177.59 1yns h VAL 135 N 0.00 0.00 -0.47 4.15 2.07 -1.82 -2.93 116.25 117.25 1yns h VAL 135 Ca 0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 1yns h VAL 135 Cb 0.84 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.55 1yns h VAL 135 CO 0.00 0.00 0.10 0.58 0.02 0.00 0.00 177.57 178.27 1yns h VAL 136 N -0.61 0.75 -0.81 2.57 2.07 -1.78 -0.49 116.25 117.95 1yns h VAL 136 Ca -0.06 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1yns h VAL 136 Cb 0.47 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 1yns h VAL 136 CO 0.09 0.04 0.41 1.55 0.02 0.00 0.00 177.57 179.69 1yns h PRO 137 N 0.24 1.15 -0.23 1.57 0.13 -1.79 -1.29 132.00 131.77 1yns h PRO 137 Ca 0.23 -0.15 -0.04 0.00 -0.87 0.00 0.00 66.00 65.17 1yns h PRO 137 Cb 0.30 -0.22 -0.01 0.00 0.13 0.00 0.00 31.00 31.20 1yns h PRO 137 CO -0.30 0.87 -0.03 0.00 -0.23 0.00 0.00 178.00 178.31 1yns h ALA 138 N 1.30 0.32 -0.69 -0.56 0.00 -1.24 -2.51 119.26 115.88 1yns h ALA 138 Ca 0.28 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1yns h ALA 138 Cb 0.08 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1yns h ALA 138 CO -0.04 0.07 0.43 0.28 0.00 0.00 0.00 179.25 179.99 1yns h VAL 139 N 0.18 1.08 -0.59 0.00 2.07 -0.90 0.51 116.25 118.61 1yns h VAL 139 Ca 0.06 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1yns h VAL 139 Cb 0.46 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 1yns h VAL 139 CO 0.02 0.15 0.37 0.03 0.02 0.00 0.00 177.57 178.16 1yns h ARG 140 N 0.83 0.78 -0.36 1.57 3.08 -1.16 -0.64 114.38 118.48 1yns h ARG 140 Ca 0.28 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 60.17 1yns h ARG 140 Cb 0.04 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 1yns h ARG 140 CO -0.12 0.54 -0.20 0.87 -1.07 0.00 0.00 179.97 179.99 1yns h LYS 141 N 0.79 0.69 -0.37 0.04 1.57 -0.97 -0.55 116.57 117.77 1yns h LYS 141 Ca 0.21 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1yns h LYS 141 Cb -0.06 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1yns h LYS 141 CO -0.04 0.84 0.24 -1.49 -0.57 0.00 0.00 179.45 178.42 1yns h TRP 142 N 0.61 0.48 -0.25 -1.35 6.55 -0.36 -0.72 115.95 120.91 1yns h TRP 142 Ca 0.09 0.00 -0.08 0.00 0.95 0.00 0.00 58.89 59.85 1yns h TRP 142 Cb 0.67 -0.16 -0.01 0.00 -0.86 0.00 0.00 29.16 28.80 1yns h TRP 142 CO 0.03 0.33 -0.20 0.00 -1.05 0.00 0.00 178.44 177.54 1yns h ARG 143 N 0.50 0.46 -0.01 0.49 3.08 -0.89 -1.04 114.38 116.97 1yns h ARG 143 Ca 0.14 -0.16 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 1yns h ARG 143 Cb -0.03 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1yns h ARG 143 CO -0.03 0.65 -0.24 0.93 -1.07 0.00 0.00 179.97 180.21 1yns h GLU 144 N 0.42 0.02 -0.04 0.04 4.39 -0.46 -0.31 114.58 118.64 1yns h GLU 144 Ca 0.07 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1yns h GLU 144 Cb 0.59 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1yns h GLU 144 CO 0.04 0.26 0.00 0.00 -1.16 0.00 0.00 179.01 178.15 1yns n ALA 145 N -2.49 2.61 -0.33 3.43 0.00 -0.33 -4.90 120.51 118.49 1yns n ALA 145 Ca -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1yns n ALA 145 Cb 0.30 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1yns n ALA 145 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yns n GLY 146 N 1.01 0.71 3.78 0.00 0.00 -0.13 -5.06 105.19 105.50 1yns n GLY 146 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1yns n GLY 146 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1yns s MET 147 N -0.67 3.97 0.07 1.61 -1.94 -0.48 -4.97 119.30 116.90 1yns s MET 147 Ca 0.00 1.66 -0.01 0.00 -1.71 0.00 0.00 55.69 55.63 1yns s MET 147 Cb 0.00 -2.49 -0.04 0.00 2.01 0.00 0.00 34.83 34.30 1yns s MET 147 CO 0.00 -0.34 0.24 0.15 -0.01 0.00 0.00 175.02 175.06 1yns s LYS 148 N -2.57 3.47 -0.09 2.03 1.02 -0.82 -4.22 119.74 118.56 1yns s LYS 148 Ca 0.60 -0.37 0.00 0.00 0.02 0.00 0.00 55.97 56.22 1yns s LYS 148 Cb -0.26 -3.01 0.02 0.00 -0.52 0.00 0.00 37.83 34.07 1yns s LYS 148 CO 0.32 0.59 -0.07 0.08 -0.92 0.00 0.00 175.35 175.34 1yns s VAL 149 N -1.53 0.94 0.19 3.17 1.01 -1.26 -1.25 120.40 121.67 1yns s VAL 149 Ca 0.36 -0.27 0.09 0.00 0.00 0.00 0.00 61.98 62.17 1yns s VAL 149 Cb -0.13 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 1yns s VAL 149 CO 0.27 0.34 -0.19 -0.31 0.00 0.00 0.00 175.10 175.21 1yns s TYR 150 N 1.47 1.97 -0.06 5.22 1.51 -0.65 0.02 117.35 126.84 1yns s TYR 150 Ca -0.00 -0.44 0.02 0.00 -1.01 0.00 0.00 57.07 55.64 1yns s TYR 150 Cb -0.13 -0.95 -0.03 0.00 -0.11 0.00 0.00 41.96 40.74 1yns s TYR 150 CO -0.05 0.42 -0.12 0.42 -1.11 0.00 0.00 175.55 175.11 1yns s ILE 151 N -2.15 3.27 -0.17 2.71 -1.09 -0.39 -0.20 121.20 123.17 1yns s ILE 151 Ca 0.20 -0.64 -0.02 0.00 -2.23 0.00 0.00 60.65 57.95 1yns s ILE 151 Cb -0.05 -2.31 0.05 0.00 -1.58 0.00 0.00 42.46 38.57 1yns s ILE 151 CO 0.08 0.59 0.01 -0.47 -1.23 0.00 0.00 174.94 173.92 1yns s TYR 152 N -0.66 1.15 0.06 3.97 6.04 -0.39 -0.27 117.35 127.24 1yns s TYR 152 Ca 0.10 -0.84 -0.10 0.00 0.04 0.00 0.00 57.07 56.28 1yns s TYR 152 Cb -0.11 -1.07 0.00 0.00 -1.04 0.00 0.00 41.96 39.75 1yns s TYR 152 CO 0.01 -0.58 0.20 0.45 -1.54 0.00 0.00 175.55 174.10 1yns s SER 153 N 1.82 0.06 0.13 4.32 0.15 -0.85 -4.21 113.70 115.11 1yns s SER 153 Ca -0.00 -0.48 0.25 0.00 0.70 0.00 0.00 55.95 56.41 1yns s SER 153 Cb -0.16 0.32 0.93 0.00 -1.71 0.00 0.00 66.02 65.40 1yns s SER 153 CO -0.07 -0.64 1.76 -1.54 1.20 0.00 0.00 173.24 173.94 1yns n SER 154 N 0.33 0.43 -4.77 5.45 3.41 -1.26 -3.90 113.62 113.32 1yns n SER 154 Ca -0.17 0.56 -0.39 0.00 -0.26 0.00 0.00 58.87 58.61 1yns n SER 154 Cb 0.61 -0.67 -0.04 0.00 -0.26 0.00 0.00 64.21 63.84 1yns n SER 154 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1yns s GLY 155 N -3.32 2.94 0.69 5.00 0.00 -1.26 -4.48 107.32 106.89 1yns s GLY 155 Ca 0.10 0.83 -0.17 0.00 0.00 0.00 0.00 44.72 45.48 1yns s GLY 155 CO 0.48 1.37 1.02 -1.14 0.00 0.00 0.00 173.10 174.83 1yns n SER 156 N 0.69 0.76 -0.30 1.64 3.41 -1.26 -4.68 113.62 113.87 1yns n SER 156 Ca 0.01 0.71 0.03 0.00 -0.26 0.00 0.00 58.87 59.36 1yns n SER 156 Cb 0.47 -1.43 0.23 0.00 -0.26 0.00 0.00 64.21 63.22 1yns n SER 156 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1yns h VAL 157 N -0.03 1.10 -0.84 -3.33 2.07 -1.91 0.78 116.25 114.08 1yns h VAL 157 Ca -0.48 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 66.69 1yns h VAL 157 Cb 1.34 -0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 1yns h VAL 157 CO 0.48 0.19 0.55 -0.08 0.02 0.00 0.00 177.57 178.74 1yns h GLU 158 N 1.07 1.09 -0.28 1.57 4.81 -2.00 -0.46 114.58 120.37 1yns h GLU 158 Ca 0.37 -0.07 -0.18 0.00 -0.13 0.00 0.00 59.36 59.36 1yns h GLU 158 Cb 0.12 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.26 1yns h GLU 158 CO -0.13 0.72 -0.51 0.00 -0.73 0.00 0.00 179.01 178.36 1yns h ALA 159 N 1.32 0.44 -0.70 2.92 0.00 -1.62 -3.08 119.26 118.54 1yns h ALA 159 Ca 0.31 -0.50 0.07 0.00 0.00 0.00 0.00 54.91 54.79 1yns h ALA 159 Cb -0.10 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 1yns h ALA 159 CO -0.08 0.63 0.38 1.96 0.00 0.00 0.00 179.25 182.14 1yns h GLN 160 N 0.61 0.67 -0.14 0.00 4.20 -0.28 -1.21 115.11 118.97 1yns h GLN 160 Ca 0.01 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 1yns h GLN 160 Cb 1.12 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.74 1yns h GLN 160 CO 0.11 0.45 -0.04 0.87 -0.67 0.00 0.00 178.83 179.55 1yns h LYS 161 N 0.69 0.20 -0.45 1.46 1.57 -1.05 -1.41 116.57 117.58 1yns h LYS 161 Ca 0.32 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.93 1yns h LYS 161 Cb 0.23 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1yns h LYS 161 CO -0.20 0.26 -0.26 -0.07 -0.57 0.00 0.00 179.45 178.60 1yns h LEU 162 N 0.20 1.00 0.19 2.94 3.38 -1.15 -0.29 115.31 121.57 1yns h LEU 162 Ca 0.05 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 1yns h LEU 162 Cb 0.20 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1yns h LEU 162 CO 0.01 1.19 -0.09 -0.07 0.09 0.00 0.00 178.44 179.57 1yns h LEU 163 N 0.82 -0.21 -1.28 1.67 3.38 -0.70 -1.89 115.31 117.11 1yns h LEU 163 Ca 0.10 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1yns h LEU 163 Cb 0.84 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1yns h LEU 163 CO 0.07 -0.10 -0.31 -0.26 0.09 0.00 0.00 178.44 177.93 1yns h PHE 164 N -0.31 0.00 0.00 1.13 -1.00 -1.34 -2.90 116.94 112.53 1yns h PHE 164 Ca -0.03 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.75 1yns h PHE 164 Cb 0.24 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.80 1yns h PHE 164 CO -0.05 0.31 0.00 0.78 -1.61 0.00 0.00 178.31 177.75 1yns h GLY 165 N 1.46 0.00 -5.31 -1.45 0.00 -0.82 -0.19 103.07 96.77 1yns h GLY 165 Ca -0.00 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.87 1yns h GLY 165 CO 0.04 0.00 -1.07 1.42 0.00 0.00 0.00 176.54 176.93 1yns n HIS 166 N -2.79 1.46 -2.37 5.60 8.25 -0.73 -4.04 115.22 120.60 1yns n HIS 166 Ca 0.04 -3.32 -0.24 0.00 -0.26 0.00 0.00 57.72 53.94 1yns n HIS 166 Cb 0.48 -0.37 0.08 0.00 1.12 0.00 0.00 29.99 31.30 1yns n HIS 166 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1yns s SER 167 N -2.98 4.64 0.04 0.41 1.04 -0.63 -0.83 113.70 115.39 1yns s SER 167 Ca 0.37 0.12 0.14 0.00 0.48 0.00 0.00 55.95 57.06 1yns s SER 167 Cb 0.39 -0.71 0.59 0.00 0.10 0.00 0.00 66.02 66.40 1yns s SER 167 CO -0.05 -1.67 1.43 0.35 0.98 0.00 0.00 173.24 174.29 1yns n THR 168 N -2.84 1.12 -0.38 2.02 -2.24 -0.11 -1.02 114.28 110.82 1yns n THR 168 Ca 0.10 0.29 0.08 0.00 -2.27 0.00 0.00 64.05 62.26 1yns n THR 168 Cb 0.60 -1.10 0.24 0.00 -2.10 0.00 0.00 70.33 67.97 1yns n THR 168 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1yns n GLU 169 N -1.60 2.98 0.00 -0.78 -0.58 -1.26 -5.06 120.64 114.34 1yns n GLU 169 Ca 0.03 -2.43 0.00 0.00 -0.42 0.00 0.00 57.16 54.33 1yns n GLU 169 Cb 0.15 -1.51 0.00 0.00 -0.57 0.00 0.00 31.44 29.51 1yns n GLU 169 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1yns n GLY 170 N 0.84 -0.41 3.51 0.62 0.00 -0.19 -4.75 105.19 104.81 1yns n GLY 170 Ca 0.18 -1.48 -0.43 0.00 0.00 0.00 0.00 46.02 44.29 1yns n GLY 170 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yns s ASP 171 N -4.00 6.33 -0.23 1.61 -1.08 -1.26 -1.60 116.67 116.44 1yns s ASP 171 Ca 0.00 -0.42 0.13 0.00 -0.52 0.00 0.00 52.55 51.74 1yns s ASP 171 Cb 0.00 -2.38 0.47 0.00 -1.46 0.00 0.00 42.92 39.55 1yns s ASP 171 CO 0.00 -1.03 1.38 2.30 0.52 0.00 0.00 175.17 178.34 1yns n ILE 172 N 6.02 2.34 -0.20 4.11 -5.35 -0.08 -4.70 119.36 121.51 1yns n ILE 172 Ca -0.00 -2.47 0.04 0.00 -0.27 0.00 0.00 62.75 60.05 1yns n ILE 172 Cb 0.47 -0.28 0.31 0.00 -1.74 0.00 0.00 39.64 38.40 1yns n ILE 172 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 1yns h LEU 173 N 1.09 0.74 -1.31 7.28 3.38 -1.90 -1.72 115.31 122.87 1yns h LEU 173 Ca 0.10 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1yns h LEU 173 Cb 1.44 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1yns h LEU 173 CO 0.24 0.50 0.00 1.05 0.09 0.00 0.00 178.44 180.33 1yns h GLU 174 N 0.86 0.00 -0.00 1.13 4.11 -1.94 -1.64 114.58 117.10 1yns h GLU 174 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.73 1yns h GLU 174 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1yns h GLU 174 CO -0.09 0.00 -0.05 1.28 0.07 0.00 0.00 179.01 180.21 1yns n LEU 175 N -2.38 0.08 -4.52 3.06 4.77 -0.65 -4.79 117.00 112.58 1yns n LEU 175 Ca -0.00 0.37 -0.34 0.00 -0.03 0.00 0.00 56.01 56.01 1yns n LEU 175 Cb 0.12 -0.40 -0.12 0.00 -2.33 0.00 0.00 43.42 40.69 1yns n LEU 175 CO 0.15 0.02 -0.39 -0.69 -1.33 0.00 0.00 177.39 175.15 1yns s VAL 176 N -2.85 3.60 -0.16 4.08 1.01 -0.62 -4.71 120.40 120.74 1yns s VAL 176 Ca 0.18 -0.50 0.19 0.00 0.00 0.00 0.00 61.98 61.86 1yns s VAL 176 Cb 0.19 -2.50 -0.09 0.00 0.00 0.00 0.00 36.38 33.98 1yns s VAL 176 CO 0.52 0.56 0.89 0.47 0.00 0.00 0.00 175.10 177.54 1yns n ASP 177 N 2.75 0.82 -3.59 3.32 8.00 0.10 -5.01 116.55 122.94 1yns n ASP 177 Ca -0.18 0.34 -0.04 0.00 0.71 0.00 0.00 54.79 55.62 1yns n ASP 177 Cb 0.53 0.34 -0.02 0.00 -0.02 0.00 0.00 41.12 41.95 1yns n ASP 177 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1yns s GLY 178 N -4.63 -0.34 0.11 0.44 0.00 -1.23 -5.02 107.32 96.64 1yns s GLY 178 Ca -0.02 1.27 0.08 0.00 0.00 0.00 0.00 44.72 46.06 1yns s GLY 178 CO 0.81 0.40 -0.21 0.30 0.00 0.00 0.00 173.10 174.40 1yns s HIS 179 N -2.59 1.81 0.00 1.90 3.76 -1.26 -1.26 115.29 117.65 1yns s HIS 179 Ca 0.09 -0.42 0.01 0.00 -0.15 0.00 0.00 55.06 54.60 1yns s HIS 179 Cb -0.00 -0.99 -0.01 0.00 1.11 0.00 0.00 32.58 32.70 1yns s HIS 179 CO -0.05 0.21 -0.04 -0.06 -0.85 0.00 0.00 174.74 173.96 1yns s PHE 180 N -1.19 0.33 0.00 1.40 0.40 0.62 -4.93 117.98 114.61 1yns s PHE 180 Ca 0.07 -0.12 0.00 0.00 -0.60 0.00 0.00 56.93 56.27 1yns s PHE 180 Cb -0.10 -0.21 0.00 0.00 0.51 0.00 0.00 43.02 43.22 1yns s PHE 180 CO 0.04 -0.02 0.00 -0.40 0.70 0.00 0.00 175.22 175.54 1yns n ASP 181 N 2.77 0.88 0.07 1.36 5.68 -1.26 -2.01 116.55 124.03 1yns n ASP 181 Ca -0.14 -0.61 0.04 0.00 -0.50 0.00 0.00 54.79 53.58 1yns n ASP 181 Cb 0.58 0.00 0.24 0.00 -1.14 0.00 0.00 41.12 40.80 1yns n ASP 181 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1yns n THR 182 N 0.00 1.59 0.11 2.12 -2.24 -1.25 -1.98 114.28 112.63 1yns n THR 182 Ca 0.00 0.60 0.04 0.00 -2.27 0.00 0.00 64.05 62.42 1yns n THR 182 Cb 0.00 -1.60 0.46 0.00 -2.10 0.00 0.00 70.33 67.09 1yns n THR 182 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1yns h LYS 183 N 0.00 0.29 -0.00 -0.78 6.56 -1.95 0.11 116.57 120.80 1yns h LYS 183 Ca 0.00 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 1yns h LYS 183 Cb 0.01 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 31.62 1yns h LYS 183 CO 0.00 0.29 -0.06 1.51 -2.06 0.00 0.00 179.45 179.12 1yns n ILE 184 N -4.40 0.00 0.00 1.86 0.13 -0.84 -5.00 119.36 111.11 1yns n ILE 184 Ca 0.00 -0.01 0.00 0.00 -1.10 0.00 0.00 62.75 61.64 1yns n ILE 184 Cb 0.16 -0.36 0.00 0.00 -0.84 0.00 0.00 39.64 38.59 1yns n ILE 184 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1yns n GLY 185 N 1.37 3.11 3.80 4.50 0.00 0.03 -4.56 105.19 113.44 1yns n GLY 185 Ca 0.11 -1.91 -0.35 0.00 0.00 0.00 0.00 46.02 43.87 1yns n GLY 185 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1yns s HIS 186 N -2.17 3.39 0.43 1.61 3.76 -1.26 -4.29 115.29 116.76 1yns s HIS 186 Ca 0.00 1.67 0.39 0.00 -0.15 0.00 0.00 55.06 56.97 1yns s HIS 186 Cb 0.00 -2.95 2.06 0.00 1.11 0.00 0.00 32.58 32.80 1yns s HIS 186 CO 0.00 -0.19 2.20 0.87 -0.85 0.00 0.00 174.74 176.77 1yns h LYS 187 N 2.40 0.00 -0.70 1.40 1.57 -1.95 -2.26 116.57 117.03 1yns h LYS 187 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1yns h LYS 187 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1yns h LYS 187 CO 0.62 0.00 0.00 1.33 -0.57 0.00 0.00 179.45 180.83 1yns n VAL 188 N -2.94 0.98 -3.96 0.50 0.24 -1.26 -4.60 118.33 107.28 1yns n VAL 188 Ca -0.02 -0.94 -0.35 0.00 -2.04 0.00 0.00 64.34 60.99 1yns n VAL 188 Cb 0.10 0.45 -0.13 0.00 -1.47 0.00 0.00 33.84 32.79 1yns n VAL 188 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1yns s GLU 189 N -1.11 3.53 0.44 7.34 2.02 -0.85 -4.76 118.70 125.31 1yns s GLU 189 Ca 0.47 -0.55 0.14 0.00 0.02 0.00 0.00 54.97 55.05 1yns s GLU 189 Cb 0.25 -3.10 1.05 0.00 0.10 0.00 0.00 34.13 32.43 1yns s GLU 189 CO 0.31 -0.10 1.98 0.66 0.02 0.00 0.00 175.26 178.13 1yns h SER 190 N 7.85 0.35 -0.45 -0.19 4.64 -1.87 -1.18 113.55 122.70 1yns h SER 190 Ca -0.38 0.01 0.04 0.00 -0.47 0.00 0.00 61.79 60.99 1yns h SER 190 Cb 1.17 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 1yns h SER 190 CO 0.60 0.21 0.30 -0.08 -0.87 0.00 0.00 176.83 176.99 1yns h GLU 191 N 0.39 0.44 -0.94 4.77 4.57 -1.93 -1.80 114.58 120.08 1yns h GLU 191 Ca 0.28 -0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.46 1yns h GLU 191 Cb 0.57 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 29.01 1yns h GLU 191 CO -0.07 0.29 0.61 0.77 -1.18 0.00 0.00 179.01 179.43 1yns h SER 192 N 0.45 1.03 0.57 1.04 0.02 -1.45 -1.82 113.55 113.40 1yns h SER 192 Ca 0.19 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 61.00 1yns h SER 192 Cb 0.17 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 1yns h SER 192 CO -0.05 0.72 -0.58 1.88 -1.14 0.00 0.00 176.83 177.67 1yns h TYR 193 N 1.21 0.01 -0.10 3.45 -1.99 -1.44 -1.22 116.97 116.89 1yns h TYR 193 Ca 0.36 -0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.96 1yns h TYR 193 Cb -0.05 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.67 1yns h TYR 193 CO -0.01 0.58 -0.51 0.00 -0.00 0.00 0.00 178.16 178.23 1yns h ARG 194 N 0.01 0.27 -0.09 4.88 3.08 -1.19 -2.28 114.38 119.06 1yns h ARG 194 Ca -0.01 -0.16 -0.20 0.00 0.07 0.00 0.00 59.98 59.69 1yns h ARG 194 Cb 1.02 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.09 1yns h ARG 194 CO 0.08 0.72 -0.76 0.87 -1.07 0.00 0.00 179.97 179.81 1yns h LYS 195 N 0.22 0.51 -0.77 0.04 1.57 -1.06 -2.64 116.57 114.44 1yns h LYS 195 Ca 0.01 -0.43 -0.01 0.00 -1.87 0.00 0.00 60.65 58.35 1yns h LYS 195 Cb 0.97 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.34 1yns h LYS 195 CO 0.08 1.06 0.43 0.82 -0.57 0.00 0.00 179.45 181.27 1yns h ILE 196 N 0.34 1.23 -0.75 1.86 2.04 -1.03 0.11 117.51 121.31 1yns h ILE 196 Ca -0.04 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 1yns h ILE 196 Cb 1.35 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.60 1yns h ILE 196 CO 0.14 0.25 0.45 0.00 0.00 0.00 0.00 178.15 178.98 1yns h ALA 197 N 1.22 0.96 -0.58 1.87 0.00 -1.34 -0.67 119.26 120.72 1yns h ALA 197 Ca 0.27 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1yns h ALA 197 Cb 0.02 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1yns h ALA 197 CO -0.05 0.44 0.27 -0.44 0.00 0.00 0.00 179.25 179.48 1yns h ASP 198 N 1.03 0.77 -0.52 0.00 5.19 -0.92 0.15 116.42 122.12 1yns h ASP 198 Ca 0.27 -0.14 -0.11 0.00 -0.62 0.00 0.00 57.03 56.43 1yns h ASP 198 Cb -0.02 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.27 1yns h ASP 198 CO -0.05 0.69 -0.10 -1.28 -3.12 0.00 0.00 179.24 175.39 1yns h SER 199 N 0.79 1.00 -0.12 6.45 0.87 -0.48 -2.93 113.55 119.13 1yns h SER 199 Ca 0.20 -0.32 -0.14 0.00 -1.23 0.00 0.00 61.79 60.30 1yns h SER 199 Cb 0.13 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 1yns h SER 199 CO -0.02 1.10 -0.39 0.40 -0.53 0.00 0.00 176.83 177.39 1yns h ILE 200 N 0.89 1.29 -0.03 2.23 2.04 -0.90 -3.47 117.51 119.56 1yns h ILE 200 Ca 0.14 -1.56 0.00 0.00 1.00 0.00 0.00 64.86 64.44 1yns h ILE 200 Cb 0.65 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 1yns h ILE 200 CO 0.05 0.50 0.00 0.61 0.00 0.00 0.00 178.15 179.30 1yns n GLY 201 N 0.01 1.58 0.00 5.37 0.00 0.42 -5.10 105.19 107.47 1yns n GLY 201 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1yns n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yns s SER 203 N -0.98 5.95 0.35 0.00 0.01 -1.26 -4.34 113.70 113.43 1yns s SER 203 Ca 0.00 -0.01 0.05 0.00 1.31 0.00 0.00 55.95 57.30 1yns s SER 203 Cb 0.00 -1.68 0.70 0.00 0.21 0.00 0.00 66.02 65.25 1yns s SER 203 CO 0.00 0.02 1.96 0.71 0.41 0.00 0.00 173.24 176.34 1yns h THR 204 N 1.65 1.04 0.00 1.44 1.35 -1.87 -1.49 112.91 115.03 1yns h THR 204 Ca -0.49 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 1yns h THR 204 Cb 1.21 0.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 1yns h THR 204 CO 0.64 0.15 0.00 -0.46 -0.25 0.00 0.00 175.52 175.60 1yns n ASN 205 N -4.48 0.00 -0.63 5.36 6.94 -1.14 -2.18 115.26 119.14 1yns n ASN 205 Ca 0.11 -0.03 0.13 0.00 -0.02 0.00 0.00 54.58 54.77 1yns n ASN 205 Cb 0.21 -0.26 0.40 0.00 -2.36 0.00 0.00 39.78 37.77 1yns n ASN 205 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1yns n ASN 206 N -1.26 1.94 -4.66 0.53 3.02 -0.56 -4.38 115.26 109.90 1yns n ASN 206 Ca 0.09 -1.66 -0.35 0.00 -0.03 0.00 0.00 54.58 52.63 1yns n ASN 206 Cb 0.14 -0.02 -0.10 0.00 -0.61 0.00 0.00 39.78 39.19 1yns n ASN 206 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1yns s ILE 207 N -1.95 4.41 -0.22 2.41 1.01 -0.93 -0.78 121.20 125.16 1yns s ILE 207 Ca 0.35 -0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.82 1yns s ILE 207 Cb 0.20 -2.90 0.04 0.00 0.01 0.00 0.00 42.46 39.81 1yns s ILE 207 CO 0.32 0.56 -0.15 -0.22 0.00 0.00 0.00 174.94 175.44 1yns s LEU 208 N -0.46 2.72 -0.23 2.97 2.96 -0.25 -1.24 118.68 125.16 1yns s LEU 208 Ca 0.09 -0.96 -0.09 0.00 -0.22 0.00 0.00 54.13 52.95 1yns s LEU 208 Cb -0.12 -1.52 -0.04 0.00 0.50 0.00 0.00 46.19 45.01 1yns s LEU 208 CO 0.02 -0.08 0.12 0.12 -1.32 0.00 0.00 176.35 175.21 1yns s PHE 209 N 1.22 3.24 -0.23 5.38 5.36 0.24 -0.46 117.98 132.73 1yns s PHE 209 Ca -0.01 0.05 -0.07 0.00 -0.96 0.00 0.00 56.93 55.94 1yns s PHE 209 Cb -0.16 -2.23 -0.03 0.00 -0.34 0.00 0.00 43.02 40.26 1yns s PHE 209 CO -0.09 -0.02 0.05 -0.51 -1.46 0.00 0.00 175.22 173.19 1yns s LEU 210 N 1.09 3.43 0.12 6.12 1.43 -0.28 -2.00 118.68 128.58 1yns s LEU 210 Ca 0.06 -0.18 -0.10 0.00 -1.03 0.00 0.00 54.13 52.88 1yns s LEU 210 Cb -0.14 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.18 1yns s LEU 210 CO 0.04 0.00 0.25 0.28 0.23 0.00 0.00 176.35 177.15 1yns s THR 211 N 1.38 0.11 -0.07 5.49 -1.32 -1.07 -1.97 115.64 118.19 1yns s THR 211 Ca 0.05 -1.16 0.22 0.00 -1.21 0.00 0.00 61.69 59.59 1yns s THR 211 Cb -0.15 -1.47 -0.32 0.00 -1.51 0.00 0.00 72.50 69.05 1yns s THR 211 CO 0.03 -0.50 0.52 -0.90 -2.21 0.00 0.00 174.62 171.56 1yns n ASP 212 N -0.13 0.07 -4.60 8.08 5.75 -1.26 -0.85 116.55 123.61 1yns n ASP 212 Ca -0.13 -0.02 -0.39 0.00 -0.01 0.00 0.00 54.79 54.24 1yns n ASP 212 Cb 0.63 1.90 -0.09 0.00 -1.03 0.00 0.00 41.12 42.53 1yns n ASP 212 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1yns s VAL 213 N -3.49 5.17 0.51 2.12 1.01 -1.26 -4.79 120.40 119.66 1yns s VAL 213 Ca -0.07 0.52 0.22 0.00 0.00 0.00 0.00 61.98 62.64 1yns s VAL 213 Cb 0.14 -3.71 0.28 0.00 0.00 0.00 0.00 36.38 33.09 1yns s VAL 213 CO 0.90 0.13 2.14 0.71 0.00 0.00 0.00 175.10 178.98 1yns h THR 214 N 5.41 0.80 0.00 3.92 1.35 -1.98 -1.31 112.91 121.10 1yns h THR 214 Ca -0.31 -0.21 -0.04 0.00 -0.55 0.00 0.00 66.41 65.30 1yns h THR 214 Cb 1.16 1.12 -0.01 0.00 -1.73 0.00 0.00 68.15 68.70 1yns h THR 214 CO 0.65 0.06 -0.18 0.03 -0.25 0.00 0.00 175.52 175.82 1yns h ARG 215 N 0.00 0.00 0.16 4.72 3.08 -1.98 0.20 114.38 120.55 1yns h ARG 215 Ca -0.00 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.82 1yns h ARG 215 Cb 0.12 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.19 1yns h ARG 215 CO 0.01 0.18 -0.98 0.93 -1.07 0.00 0.00 179.97 179.03 1yns h GLU 216 N 0.00 0.39 -0.46 0.04 5.08 -1.51 -3.05 114.58 115.08 1yns h GLU 216 Ca -0.00 -0.63 0.02 0.00 -1.00 0.00 0.00 59.36 57.75 1yns h GLU 216 Cb 0.34 0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 1yns h GLU 216 CO 0.02 1.29 0.27 0.00 -1.00 0.00 0.00 179.01 179.60 1yns h ALA 217 N 0.13 0.58 -0.07 3.43 0.00 -0.84 -1.38 119.26 121.12 1yns h ALA 217 Ca -0.17 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1yns h ALA 217 Cb 1.76 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 1yns h ALA 217 CO 0.19 -0.03 -0.32 0.66 0.00 0.00 0.00 179.25 179.74 1yns h SER 218 N 0.55 0.13 -0.33 0.00 4.64 -0.73 -0.57 113.55 117.23 1yns h SER 218 Ca 0.18 -0.04 -0.16 0.00 -0.47 0.00 0.00 61.79 61.30 1yns h SER 218 Cb 0.01 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1yns h SER 218 CO -0.08 0.45 -0.41 0.00 -0.87 0.00 0.00 176.83 175.93 1yns h ALA 219 N 1.56 0.50 -0.43 5.18 0.00 -1.32 -2.16 119.26 122.59 1yns h ALA 219 Ca 0.02 -0.46 -0.14 0.00 0.00 0.00 0.00 54.91 54.32 1yns h ALA 219 Cb 0.63 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1yns h ALA 219 CO 0.05 0.62 -0.29 0.00 0.00 0.00 0.00 179.25 179.62 1yns h ALA 220 N 0.73 0.66 -0.85 0.00 0.00 -1.00 -2.82 119.26 115.97 1yns h ALA 220 Ca 0.04 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1yns h ALA 220 Cb 1.00 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1yns h ALA 220 CO 0.10 0.67 0.45 0.93 0.00 0.00 0.00 179.25 181.40 1yns h GLU 221 N 0.80 1.19 0.00 0.00 5.08 -1.04 -0.35 114.58 120.27 1yns h GLU 221 Ca 0.09 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1yns h GLU 221 Cb 0.87 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 1yns h GLU 221 CO 0.08 0.89 -0.00 0.93 -1.00 0.00 0.00 179.01 179.90 1yns h GLU 222 N 1.19 0.00 -0.49 2.33 5.08 -1.26 0.75 114.58 122.17 1yns h GLU 222 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1yns h GLU 222 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1yns h GLU 222 CO -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.97 1yns n ALA 223 N -2.08 2.48 -3.32 3.43 0.00 -0.21 -4.91 120.51 115.89 1yns n ALA 223 Ca -0.02 -0.86 -0.18 0.00 0.00 0.00 0.00 53.44 52.39 1yns n ALA 223 Cb 0.17 -0.97 0.06 0.00 0.00 0.00 0.00 19.45 18.71 1yns n ALA 223 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1yns n ASP 224 N 0.87 -4.83 -4.62 0.00 2.03 0.25 -4.82 116.55 105.43 1yns n ASP 224 Ca 0.16 -0.44 -0.32 0.00 0.52 0.00 0.00 54.79 54.71 1yns n ASP 224 Cb 0.43 -4.10 -0.10 0.00 -0.72 0.00 0.00 41.12 36.62 1yns n ASP 224 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1yns s VAL 225 N -3.26 3.77 0.29 5.18 1.01 -0.77 -2.87 120.40 123.75 1yns s VAL 225 Ca 0.38 -0.76 -0.28 0.00 0.00 0.00 0.00 61.98 61.32 1yns s VAL 225 Cb -0.17 -2.66 -0.09 0.00 0.00 0.00 0.00 36.38 33.46 1yns s VAL 225 CO 0.58 0.37 0.98 -1.00 0.00 0.00 0.00 175.10 176.03 1yns s HIS 226 N -1.04 3.75 0.10 5.22 3.76 -0.37 -3.99 115.29 122.73 1yns s HIS 226 Ca 0.18 1.81 0.03 0.00 -0.15 0.00 0.00 55.06 56.93 1yns s HIS 226 Cb -0.11 -3.02 -0.04 0.00 1.11 0.00 0.00 32.58 30.52 1yns s HIS 226 CO 0.09 0.10 -0.09 0.08 -0.85 0.00 0.00 174.74 174.07 1yns s VAL 227 N -1.38 0.86 -0.10 -0.90 1.01 -1.26 -0.59 120.40 118.04 1yns s VAL 227 Ca 0.46 -1.78 -0.08 0.00 0.00 0.00 0.00 61.98 60.58 1yns s VAL 227 Cb -0.24 -1.51 0.03 0.00 0.00 0.00 0.00 36.38 34.66 1yns s VAL 227 CO 0.30 -0.70 0.25 0.00 0.00 0.00 0.00 175.10 174.96 1yns s ALA 228 N -2.96 -0.62 -0.21 5.51 0.00 -0.85 -4.63 121.76 118.00 1yns s ALA 228 Ca 0.09 0.82 -0.12 0.00 0.00 0.00 0.00 51.96 52.75 1yns s ALA 228 Cb 0.01 -0.49 -0.05 0.00 0.00 0.00 0.00 23.12 22.59 1yns s ALA 228 CO -0.02 -0.15 0.20 0.08 0.00 0.00 0.00 175.76 175.88 1yns s VAL 229 N 0.49 5.34 -0.16 0.00 1.01 0.01 -2.60 120.40 124.49 1yns s VAL 229 Ca -0.03 0.31 -0.16 0.00 0.00 0.00 0.00 61.98 62.09 1yns s VAL 229 Cb -0.04 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 1yns s VAL 229 CO -0.03 0.36 0.40 -0.69 0.00 0.00 0.00 175.10 175.15 1yns s VAL 230 N 0.84 5.22 -0.23 2.92 1.01 -0.03 -1.63 120.40 128.50 1yns s VAL 230 Ca 0.10 0.76 -0.06 0.00 0.00 0.00 0.00 61.98 62.79 1yns s VAL 230 Cb -0.13 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 1yns s VAL 230 CO 0.03 0.31 0.03 -0.69 0.00 0.00 0.00 175.10 174.78 1yns s VAL 231 N 0.86 4.02 0.23 2.92 1.01 -0.30 -4.30 120.40 124.84 1yns s VAL 231 Ca 0.21 -0.28 0.05 0.00 0.00 0.00 0.00 61.98 61.96 1yns s VAL 231 Cb -0.14 -2.86 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 1yns s VAL 231 CO 0.08 0.38 -0.04 -0.13 0.00 0.00 0.00 175.10 175.38 1yns s ARG 232 N 1.46 1.34 0.11 2.72 1.81 -1.26 -4.46 118.95 120.68 1yns s ARG 232 Ca 0.05 -1.66 -0.31 0.00 -1.72 0.00 0.00 55.73 52.09 1yns s ARG 232 Cb -0.15 -0.77 -0.09 0.00 -0.45 0.00 0.00 34.95 33.49 1yns s ARG 232 CO 0.02 -0.02 1.62 -1.25 -0.68 0.00 0.00 175.30 174.98 1yns s PRO 233 N -3.80 4.21 0.00 3.54 0.04 -1.26 -2.24 135.00 135.49 1yns s PRO 233 Ca 0.26 2.35 0.00 0.00 0.04 0.00 0.00 61.00 63.65 1yns s PRO 233 Cb 0.04 -3.39 0.00 0.00 0.04 0.00 0.00 34.50 31.19 1yns s PRO 233 CO 0.08 -0.67 0.00 0.41 0.04 0.00 0.00 177.00 176.86 1yns n GLY 234 N 3.88 0.51 3.78 0.56 0.00 -1.26 -4.66 105.19 108.00 1yns n GLY 234 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1yns n GLY 234 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1yns s ASN 235 N -2.58 5.39 0.27 1.61 -0.87 -0.95 -4.94 114.94 112.86 1yns s ASN 235 Ca 0.00 2.02 -0.30 0.00 -1.57 0.00 0.00 52.86 53.01 1yns s ASN 235 Cb 0.00 -2.56 -0.11 0.00 -0.02 0.00 0.00 41.25 38.57 1yns s ASN 235 CO 0.00 -1.44 1.50 0.00 -2.57 0.00 0.00 177.10 174.59 1yns s ALA 236 N -2.20 3.68 0.80 0.60 0.00 -1.26 -4.94 121.76 118.43 1yns s ALA 236 Ca 0.68 1.43 -0.13 0.00 0.00 0.00 0.00 51.96 53.94 1yns s ALA 236 Cb -0.21 -3.60 0.08 0.00 0.00 0.00 0.00 23.12 19.40 1yns s ALA 236 CO 0.37 -0.85 1.20 0.20 0.00 0.00 0.00 175.76 176.68 1yns s GLY 237 N 0.41 2.13 0.07 0.00 0.00 -1.26 -5.03 107.32 103.64 1yns s GLY 237 Ca 0.61 0.81 0.02 0.00 0.00 0.00 0.00 44.72 46.16 1yns s GLY 237 CO 0.45 1.23 0.12 1.08 0.00 0.00 0.00 173.10 175.98 1yns s LEU 238 N -5.70 3.96 0.71 0.66 1.43 -1.26 -5.08 118.68 113.39 1yns s LEU 238 Ca 0.72 0.07 -0.11 0.00 -1.03 0.00 0.00 54.13 53.79 1yns s LEU 238 Cb -0.28 -2.61 0.02 0.00 0.03 0.00 0.00 46.19 43.35 1yns s LEU 238 CO 0.50 0.18 1.08 0.42 0.23 0.00 0.00 176.35 178.76 1yns s THR 239 N -1.41 3.74 0.28 5.49 -4.23 -1.26 -4.84 115.64 113.41 1yns s THR 239 Ca 0.31 0.57 -0.02 0.00 -1.18 0.00 0.00 61.69 61.37 1yns s THR 239 Cb -0.12 -3.45 0.27 0.00 1.34 0.00 0.00 72.50 70.54 1yns s THR 239 CO 0.23 -0.74 1.91 0.44 -0.54 0.00 0.00 174.62 175.92 1yns h ASP 240 N -0.70 0.99 -0.63 3.99 3.32 -1.99 -0.85 116.42 120.55 1yns h ASP 240 Ca -0.45 -0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.51 1yns h ASP 240 Cb 1.24 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.55 1yns h ASP 240 CO 0.61 0.66 0.04 0.44 -1.72 0.00 0.00 179.24 179.27 1yns h ASP 241 N 1.14 1.07 -0.44 6.45 3.32 -1.99 -2.03 116.42 123.94 1yns h ASP 241 Ca 0.39 -0.29 -0.08 0.00 0.02 0.00 0.00 57.03 57.07 1yns h ASP 241 Cb 0.10 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 1yns h ASP 241 CO -0.14 1.09 -0.02 -0.33 -1.72 0.00 0.00 179.24 178.13 1yns h GLU 242 N 1.00 0.85 0.00 3.56 5.08 -1.75 0.35 114.58 123.68 1yns h GLU 242 Ca 0.18 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 1yns h GLU 242 Cb 0.52 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1yns h GLU 242 CO 0.03 0.86 -0.25 0.87 -1.00 0.00 0.00 179.01 179.52 1yns h LYS 243 N 0.79 0.00 0.08 2.33 1.57 -0.88 -1.03 116.57 119.43 1yns h LYS 243 Ca 0.15 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.62 1yns h LYS 243 Cb 0.50 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 1yns h LYS 243 CO 0.02 0.25 -1.65 1.15 -0.57 0.00 0.00 179.45 178.66 1yns h THR 244 N 0.00 0.99 0.06 -0.16 2.02 -0.68 -3.40 112.91 111.73 1yns h THR 244 Ca -0.00 -2.71 -0.00 0.00 0.77 0.00 0.00 66.41 64.46 1yns h THR 244 Cb 0.46 2.61 0.00 0.00 -1.74 0.00 0.00 68.15 69.49 1yns h THR 244 CO 0.03 0.75 -0.03 0.22 0.37 0.00 0.00 175.52 176.86 1yns h TYR 245 N 0.05 -0.07 -3.92 3.16 3.20 -0.14 -3.47 116.97 115.77 1yns h TYR 245 Ca -0.28 -0.00 -0.47 0.00 3.14 0.00 0.00 58.73 61.12 1yns h TYR 245 Cb 2.00 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 40.28 1yns h TYR 245 CO 0.04 0.52 0.24 0.71 -1.64 0.00 0.00 178.16 178.03 1yns s TYR 246 N -2.73 3.36 -0.20 -3.82 1.51 -0.41 -5.03 117.35 110.03 1yns s TYR 246 Ca -0.13 1.40 -0.27 0.00 -1.01 0.00 0.00 57.07 57.05 1yns s TYR 246 Cb -0.01 -2.69 -0.00 0.00 -0.11 0.00 0.00 41.96 39.15 1yns s TYR 246 CO 0.50 -0.07 0.94 -1.12 -1.11 0.00 0.00 175.55 174.69 1yns s SER 247 N -2.42 7.02 0.06 2.29 0.01 -1.26 -4.81 113.70 114.59 1yns s SER 247 Ca 0.58 1.27 0.03 0.00 1.31 0.00 0.00 55.95 59.14 1yns s SER 247 Cb -0.10 -2.50 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 1yns s SER 247 CO 0.19 -0.55 0.03 -0.76 0.41 0.00 0.00 173.24 172.56 1yns s LEU 248 N 2.73 3.61 -0.00 2.44 1.43 -1.26 -0.81 118.68 126.82 1yns s LEU 248 Ca 0.41 -0.06 -0.01 0.00 -1.03 0.00 0.00 54.13 53.44 1yns s LEU 248 Cb -0.16 -2.24 -0.00 0.00 0.03 0.00 0.00 46.19 43.82 1yns s LEU 248 CO 0.09 0.21 0.02 0.27 0.23 0.00 0.00 176.35 177.17 1yns s ILE 249 N -1.27 0.02 -2.00 -0.59 -0.00 -0.65 -4.84 121.20 111.89 1yns s ILE 249 Ca 0.25 -0.19 0.16 0.00 -0.00 0.00 0.00 60.65 60.88 1yns s ILE 249 Cb -0.12 -0.10 0.16 0.00 -0.00 0.00 0.00 42.46 42.41 1yns s ILE 249 CO 0.17 -0.10 1.06 0.35 -0.00 0.00 0.00 174.94 176.42 1yns n THR 250 N 2.75 0.10 -3.60 8.37 -2.24 -1.26 -1.14 114.28 117.25 1yns n THR 250 Ca -0.15 -0.55 -0.15 0.00 -2.27 0.00 0.00 64.05 60.94 1yns n THR 250 Cb 0.59 1.26 -0.07 0.00 -2.10 0.00 0.00 70.33 70.01 1yns n THR 250 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1yns s SER 251 N -1.34 -0.71 0.62 3.42 0.15 -1.26 -4.88 113.70 109.70 1yns s SER 251 Ca 0.21 1.24 0.39 0.00 0.70 0.00 0.00 55.95 58.49 1yns s SER 251 Cb 0.14 1.21 2.08 0.00 -1.71 0.00 0.00 66.02 67.75 1yns s SER 251 CO 0.21 -0.33 2.27 -0.26 1.20 0.00 0.00 173.24 176.32 1yns h PHE 252 N 4.47 0.00 0.00 3.44 -1.00 -1.93 -1.48 116.94 120.43 1yns h PHE 252 Ca -0.28 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.48 1yns h PHE 252 Cb 1.16 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.71 1yns h PHE 252 CO 0.38 0.01 -0.08 0.66 -1.61 0.00 0.00 178.31 177.68 1yns h SER 253 N 0.00 0.00 0.29 2.17 4.64 -1.96 -2.74 113.55 115.95 1yns h SER 253 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1yns h SER 253 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1yns h SER 253 CO 0.00 0.08 0.00 -0.62 -0.87 0.00 0.00 176.83 175.42 1yns n GLU 254 N -3.26 0.34 -3.20 4.77 1.02 -0.56 -4.70 120.64 115.06 1yns n GLU 254 Ca -0.00 0.08 -0.40 0.00 -0.02 0.00 0.00 57.16 56.82 1yns n GLU 254 Cb 0.30 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.15 1yns n GLU 254 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1yns s LEU 255 N -2.46 4.12 -0.17 -4.62 2.96 -1.04 -4.47 118.68 113.01 1yns s LEU 255 Ca 0.21 0.68 -0.05 0.00 -0.22 0.00 0.00 54.13 54.75 1yns s LEU 255 Cb 0.13 -2.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.04 1yns s LEU 255 CO 0.28 -0.24 -0.01 -0.47 -1.32 0.00 0.00 176.35 174.58 1yns s TYR 256 N 1.93 3.06 -2.98 5.38 5.04 0.53 -4.99 117.35 125.33 1yns s TYR 256 Ca 0.25 -0.27 0.24 0.00 -2.44 0.00 0.00 57.07 54.85 1yns s TYR 256 Cb -0.16 -2.00 0.23 0.00 0.35 0.00 0.00 41.96 40.38 1yns s TYR 256 CO 0.09 -0.04 1.28 1.28 -1.34 0.00 0.00 175.55 176.82