#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y8y n GLU 2 N 0.00 0.07 0.00 0.03 0.00 -1.26 -0.42 120.64 119.06 1y8y n GLU 2 Ca 0.00 0.52 0.15 0.00 0.00 0.00 0.00 57.16 57.83 1y8y n GLU 2 Cb 0.00 -1.71 0.78 0.00 0.00 0.00 0.00 31.44 30.51 1y8y n GLU 2 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1y8y n ASN 3 N -1.86 0.03 -4.18 -1.84 4.13 -1.26 -4.85 115.26 105.44 1y8y n ASN 3 Ca -0.00 -0.29 -0.23 0.00 1.68 0.00 0.00 54.58 55.75 1y8y n ASN 3 Cb 0.05 -0.23 -0.14 0.00 -1.54 0.00 0.00 39.78 37.92 1y8y n ASN 3 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1y8y s PHE 4 N -2.49 1.45 -0.06 3.10 0.08 0.44 0.10 117.98 120.61 1y8y s PHE 4 Ca 0.31 -0.34 0.06 0.00 0.12 0.00 0.00 56.93 57.08 1y8y s PHE 4 Cb 0.21 -0.88 -0.01 0.00 -0.57 0.00 0.00 43.02 41.77 1y8y s PHE 4 CO 0.45 0.04 -0.24 1.14 -0.10 0.00 0.00 175.22 176.51 1y8y s GLN 5 N -1.00 2.47 -0.16 0.44 1.03 -0.79 -4.93 119.66 116.72 1y8y s GLN 5 Ca 0.04 -0.88 -0.29 0.00 0.04 0.00 0.00 55.36 54.27 1y8y s GLN 5 Cb -0.08 -2.10 -0.00 0.00 0.03 0.00 0.00 33.01 30.85 1y8y s GLN 5 CO 0.01 0.37 1.00 0.15 -2.54 0.00 0.00 175.29 174.29 1y8y s LYS 6 N -0.16 4.35 -0.18 9.60 1.02 -1.26 -1.36 119.74 131.75 1y8y s LYS 6 Ca -0.03 1.34 -0.20 0.00 0.02 0.00 0.00 55.97 57.10 1y8y s LYS 6 Cb -0.13 -3.58 -0.17 0.00 -0.52 0.00 0.00 37.83 33.42 1y8y s LYS 6 CO 0.03 -0.44 0.27 0.28 -0.92 0.00 0.00 175.35 174.57 1y8y h VAL 7 N 5.25 0.93 -2.57 3.17 2.07 -1.15 -3.49 116.25 120.47 1y8y h VAL 7 Ca -0.26 -1.98 0.05 0.00 0.82 0.00 0.00 66.70 65.33 1y8y h VAL 7 Cb 1.11 2.05 -0.14 0.00 -1.52 0.00 0.00 31.29 32.79 1y8y h VAL 7 CO 0.90 0.32 0.37 -1.83 0.02 0.00 0.00 177.57 177.35 1y8y s GLU 8 N -2.27 1.01 0.13 1.57 -1.05 -0.93 -5.00 118.70 112.16 1y8y s GLU 8 Ca -0.23 -0.36 -0.31 0.00 -0.15 0.00 0.00 54.97 53.91 1y8y s GLU 8 Cb 0.03 0.47 -0.08 0.00 -0.44 0.00 0.00 34.13 34.10 1y8y s GLU 8 CO 0.53 -0.44 1.42 0.21 0.95 0.00 0.00 175.26 177.93 1y8y s LYS 9 N -3.35 4.30 -0.05 -4.83 2.20 -1.26 -0.13 119.74 116.61 1y8y s LYS 9 Ca 0.03 2.14 0.08 0.00 -0.36 0.00 0.00 55.97 57.86 1y8y s LYS 9 Cb -0.01 -3.22 0.13 0.00 -1.51 0.00 0.00 37.83 33.22 1y8y s LYS 9 CO -0.10 -0.46 1.07 0.44 -0.36 0.00 0.00 175.35 175.93 1y8y n ILE 10 N 3.86 0.78 0.00 5.43 -5.35 -0.07 -4.86 119.36 119.15 1y8y n ILE 10 Ca 0.12 -0.98 0.00 0.00 -0.27 0.00 0.00 62.75 61.62 1y8y n ILE 10 Cb 0.41 0.21 0.00 0.00 -1.74 0.00 0.00 39.64 38.53 1y8y n ILE 10 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1y8y n GLY 11 N -0.56 3.95 3.27 3.28 0.00 -1.12 -4.90 105.19 109.10 1y8y n GLY 11 Ca 0.07 -0.69 -0.44 0.00 0.00 0.00 0.00 46.02 44.95 1y8y n GLY 11 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1y8y s GLU 12 N -2.50 3.19 0.90 1.61 -1.05 -1.26 -0.07 118.70 119.51 1y8y s GLU 12 Ca 0.00 -2.27 -0.15 0.00 -0.15 0.00 0.00 54.97 52.40 1y8y s GLU 12 Cb 0.00 -4.23 0.22 0.00 -0.44 0.00 0.00 34.13 29.68 1y8y s GLU 12 CO 0.00 -1.27 0.97 0.41 0.95 0.00 0.00 175.26 176.33 1y8y n GLY 13 N 4.21 -2.11 0.36 -3.83 0.00 -0.25 -4.94 105.19 98.63 1y8y n GLY 13 Ca 0.05 -1.59 0.12 0.00 0.00 0.00 0.00 46.02 44.60 1y8y n GLY 13 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1y8y h THR 14 N -2.08 0.77 0.00 2.61 2.02 -1.99 -3.24 112.91 111.00 1y8y h THR 14 Ca -0.34 -0.28 -0.10 0.00 0.77 0.00 0.00 66.41 66.46 1y8y h THR 14 Cb 0.99 -0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 1y8y h THR 14 CO 0.23 0.15 -1.77 -1.22 0.37 0.00 0.00 175.52 173.28 1y8y n TYR 15 N -4.70 0.00 -3.65 3.16 4.01 -1.26 -3.96 117.16 110.77 1y8y n TYR 15 Ca 0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.96 1y8y n TYR 15 Cb 0.52 -0.47 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 1y8y n TYR 15 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1y8y n GLY 16 N 1.89 0.80 3.76 2.72 0.00 -1.18 -1.40 105.19 111.78 1y8y n GLY 16 Ca -0.11 -0.82 -0.39 0.00 0.00 0.00 0.00 46.02 44.71 1y8y n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y8y s VAL 17 N -2.22 4.10 -0.20 1.61 0.11 -1.25 -1.09 120.40 121.46 1y8y s VAL 17 Ca 0.00 1.95 -0.05 0.00 -2.93 0.00 0.00 61.98 60.95 1y8y s VAL 17 Cb 0.00 -4.17 -0.02 0.00 -1.53 0.00 0.00 36.38 30.65 1y8y s VAL 17 CO 0.00 0.34 -0.00 -0.69 -3.33 0.00 0.00 175.10 171.42 1y8y s VAL 18 N -1.37 3.93 0.00 2.04 1.01 0.89 -1.52 120.40 125.39 1y8y s VAL 18 Ca 0.45 -0.32 0.07 0.00 0.00 0.00 0.00 61.98 62.18 1y8y s VAL 18 Cb -0.23 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 1y8y s VAL 18 CO 0.29 0.43 -0.20 -0.31 0.00 0.00 0.00 175.10 175.31 1y8y s TYR 19 N 0.99 2.50 0.03 5.22 1.51 0.99 -0.89 117.35 127.70 1y8y s TYR 19 Ca 0.02 -0.30 -0.30 0.00 -1.01 0.00 0.00 57.07 55.48 1y8y s TYR 19 Cb -0.14 -1.50 -0.04 0.00 -0.11 0.00 0.00 41.96 40.16 1y8y s TYR 19 CO 0.02 0.15 1.04 0.21 -1.11 0.00 0.00 175.55 175.85 1y8y s LYS 20 N -1.03 4.53 0.13 -0.62 2.20 0.82 0.13 119.74 125.91 1y8y s LYS 20 Ca 0.12 1.52 -0.05 0.00 -0.36 0.00 0.00 55.97 57.20 1y8y s LYS 20 Cb -0.10 -3.42 -0.02 0.00 -1.51 0.00 0.00 37.83 32.77 1y8y s LYS 20 CO 0.02 -0.09 0.16 0.00 -0.36 0.00 0.00 175.35 175.08 1y8y s ALA 21 N 0.95 0.33 -0.07 3.13 0.00 0.23 -0.52 121.76 125.81 1y8y s ALA 21 Ca 0.54 -1.09 0.05 0.00 0.00 0.00 0.00 51.96 51.45 1y8y s ALA 21 Cb -0.24 0.77 -0.01 0.00 0.00 0.00 0.00 23.12 23.65 1y8y s ALA 21 CO 0.29 -0.55 -0.23 1.03 0.00 0.00 0.00 175.76 176.29 1y8y s ARG 22 N -3.98 2.54 -0.77 0.00 0.52 -0.46 -1.00 118.95 115.80 1y8y s ARG 22 Ca 0.17 -0.84 -0.26 0.00 -0.52 0.00 0.00 55.73 54.28 1y8y s ARG 22 Cb 0.05 -2.08 0.02 0.00 0.52 0.00 0.00 34.95 33.46 1y8y s ARG 22 CO -0.02 0.30 1.44 1.21 0.02 0.00 0.00 175.30 178.25 1y8y s ASN 23 N 0.02 6.01 0.39 0.23 3.84 0.41 -1.88 114.94 123.95 1y8y s ASN 23 Ca -0.08 -0.47 0.16 0.00 0.21 0.00 0.00 52.86 52.68 1y8y s ASN 23 Cb -0.15 -2.56 0.88 0.00 -0.55 0.00 0.00 41.25 38.88 1y8y s ASN 23 CO 0.05 -1.93 1.42 0.50 -2.79 0.00 0.00 177.10 174.35 1y8y h LYS 24 N 10.93 0.00 0.00 0.43 3.64 -0.67 0.41 116.57 131.31 1y8y h LYS 24 Ca -0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1y8y h LYS 24 Cb 1.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1y8y h LYS 24 CO 1.29 0.00 0.00 1.28 -2.27 0.00 0.00 179.45 179.75 1y8y n LEU 25 N -2.21 1.10 0.00 5.20 4.77 -1.26 -4.66 117.00 119.93 1y8y n LEU 25 Ca -0.01 0.04 0.09 0.00 -0.03 0.00 0.00 56.01 56.10 1y8y n LEU 25 Cb 0.33 -0.09 0.56 0.00 -2.33 0.00 0.00 43.42 41.89 1y8y n LEU 25 CO 0.07 -0.09 0.76 1.07 -1.33 0.00 0.00 177.39 177.88 1y8y n THR 26 N -1.27 0.00 0.00 -5.08 5.66 -1.04 -4.88 114.28 107.67 1y8y n THR 26 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1y8y n THR 26 Cb 0.00 -0.62 0.00 0.00 -1.55 0.00 0.00 70.33 68.16 1y8y n THR 26 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1y8y n GLY 27 N 0.30 1.55 3.67 1.09 0.00 0.14 -4.97 105.19 106.96 1y8y n GLY 27 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 1y8y n GLY 27 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1y8y n GLU 28 N -1.67 1.41 -3.86 1.61 0.28 -1.26 -4.40 120.64 112.75 1y8y n GLU 28 Ca 0.00 0.52 -0.35 0.00 -0.16 0.00 0.00 57.16 57.17 1y8y n GLU 28 Cb 0.00 -2.29 -0.08 0.00 1.43 0.00 0.00 31.44 30.49 1y8y n GLU 28 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1y8y s VAL 29 N -1.34 5.22 0.06 3.84 1.01 -1.26 -0.45 120.40 127.48 1y8y s VAL 29 Ca 0.69 0.12 -0.00 0.00 0.00 0.00 0.00 61.98 62.78 1y8y s VAL 29 Cb -0.46 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1y8y s VAL 29 CO 0.52 0.49 -0.04 0.68 0.00 0.00 0.00 175.10 176.75 1y8y s VAL 30 N 0.01 0.33 -0.16 2.92 -7.23 -0.17 -4.27 120.40 111.82 1y8y s VAL 30 Ca 0.08 -1.74 -0.17 0.00 -1.81 0.00 0.00 61.98 58.34 1y8y s VAL 30 Cb -0.12 -1.43 -0.04 0.00 0.56 0.00 0.00 36.38 35.36 1y8y s VAL 30 CO -0.00 -0.91 0.46 0.00 -0.31 0.00 0.00 175.10 174.33 1y8y s ALA 31 N -3.58 3.52 -0.21 1.32 0.00 -0.35 -0.60 121.76 121.86 1y8y s ALA 31 Ca 0.06 -0.35 -0.00 0.00 0.00 0.00 0.00 51.96 51.67 1y8y s ALA 31 Cb 0.05 -2.67 0.02 0.00 0.00 0.00 0.00 23.12 20.52 1y8y s ALA 31 CO -0.08 -0.19 -0.12 -1.17 0.00 0.00 0.00 175.76 174.20 1y8y s LEU 32 N 1.06 2.68 -0.22 0.00 0.20 0.34 -0.56 118.68 122.19 1y8y s LEU 32 Ca 0.23 -0.73 -0.06 0.00 0.69 0.00 0.00 54.13 54.27 1y8y s LEU 32 Cb -0.15 -1.59 -0.02 0.00 -0.43 0.00 0.00 46.19 44.00 1y8y s LEU 32 CO 0.09 -0.06 0.02 -0.54 -0.29 0.00 0.00 176.35 175.57 1y8y s LYS 33 N 1.32 3.61 -0.07 1.98 1.02 -0.25 -0.01 119.74 127.34 1y8y s LYS 33 Ca 0.03 -0.52 -0.19 0.00 0.02 0.00 0.00 55.97 55.31 1y8y s LYS 33 Cb -0.15 -3.15 -0.05 0.00 -0.52 0.00 0.00 37.83 33.96 1y8y s LYS 33 CO -0.08 -0.07 0.53 0.21 -0.92 0.00 0.00 175.35 175.02 1y8y s LYS 34 N 1.24 4.31 -0.21 1.68 2.20 -0.57 -1.29 119.74 127.10 1y8y s LYS 34 Ca 0.04 0.58 -0.08 0.00 -0.36 0.00 0.00 55.97 56.14 1y8y s LYS 34 Cb -0.15 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 32.74 1y8y s LYS 34 CO 0.02 0.25 0.09 0.42 -0.36 0.00 0.00 175.35 175.77 1y8y s ILE 35 N 0.26 4.84 -0.89 5.43 -1.09 0.78 -3.11 121.20 127.42 1y8y s ILE 35 Ca 0.29 -0.01 -0.14 0.00 -2.23 0.00 0.00 60.65 58.56 1y8y s ILE 35 Cb -0.16 -3.22 -0.26 0.00 -1.58 0.00 0.00 42.46 37.23 1y8y s ILE 35 CO 0.13 0.40 2.18 -2.11 -1.23 0.00 0.00 174.94 174.32 1y8y n ARG 36 N 4.05 0.18 0.00 2.79 1.85 -0.50 -4.12 116.66 120.91 1y8y n ARG 36 Ca -0.16 -0.30 0.00 0.00 -1.00 0.00 0.00 57.85 56.39 1y8y n ARG 36 Cb 0.52 -1.90 0.00 0.00 -1.05 0.00 0.00 32.46 30.03 1y8y n ARG 36 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1y8y n LEU 37 N 9.90 0.00 -3.53 2.89 4.32 -1.26 -5.07 117.00 124.25 1y8y n LEU 37 Ca 0.58 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 56.44 1y8y n LEU 37 Cb 0.25 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.01 1y8y n LEU 37 CO 0.89 0.00 0.31 0.54 -1.22 0.00 0.00 177.39 177.91 1y8y s VAL 44 N 0.00 0.02 0.57 4.08 0.11 -1.25 -5.14 120.40 118.79 1y8y s VAL 44 Ca 0.00 -0.20 -0.17 0.00 -2.93 0.00 0.00 61.98 58.68 1y8y s VAL 44 Cb 0.00 -1.02 -0.05 0.00 -1.53 0.00 0.00 36.38 33.79 1y8y s VAL 44 CO 0.00 -0.11 1.05 -2.84 -3.33 0.00 0.00 175.10 169.87 1y8y s PRO 45 N -2.98 3.44 0.24 1.54 0.02 -1.26 -4.95 135.00 131.05 1y8y s PRO 45 Ca -0.02 1.25 -0.03 0.00 0.02 0.00 0.00 61.00 62.22 1y8y s PRO 45 Cb -0.00 -2.05 0.27 0.00 0.02 0.00 0.00 34.50 32.74 1y8y s PRO 45 CO -0.06 -0.72 1.68 0.66 -0.33 0.00 0.00 177.00 178.24 1y8y h SER 46 N 0.72 0.73 -0.86 2.53 4.64 -2.02 -2.59 113.55 116.69 1y8y h SER 46 Ca -0.48 -0.23 0.06 0.00 -0.47 0.00 0.00 61.79 60.67 1y8y h SER 46 Cb 1.22 -0.20 -0.05 0.00 -0.31 0.00 0.00 62.40 63.06 1y8y h SER 46 CO 0.58 0.90 0.56 0.71 -0.87 0.00 0.00 176.83 178.71 1y8y h THR 47 N 0.66 1.08 -0.39 2.95 1.35 -1.98 -2.16 112.91 114.41 1y8y h THR 47 Ca 0.10 -0.34 -0.04 0.00 -0.55 0.00 0.00 66.41 65.58 1y8y h THR 47 Cb 0.63 -0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 67.04 1y8y h THR 47 CO 0.04 0.18 0.08 0.00 -0.25 0.00 0.00 175.52 175.57 1y8y h ALA 48 N 1.52 0.51 -0.88 6.62 0.00 -1.72 0.41 119.26 125.72 1y8y h ALA 48 Ca 0.36 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1y8y h ALA 48 Cb 0.16 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1y8y h ALA 48 CO -0.13 0.21 0.59 0.82 0.00 0.00 0.00 179.25 180.74 1y8y h ILE 49 N 0.48 1.22 -0.35 0.00 1.08 -1.42 0.59 117.51 119.11 1y8y h ILE 49 Ca 0.12 -0.41 -0.17 0.00 -0.39 0.00 0.00 64.86 64.02 1y8y h ILE 49 Cb 0.34 -0.08 -0.00 0.00 -3.07 0.00 0.00 36.82 34.01 1y8y h ILE 49 CO 0.00 0.22 -0.43 0.03 -0.69 0.00 0.00 178.15 177.28 1y8y h ARG 50 N 1.19 0.90 0.35 2.37 3.08 -1.33 -0.57 114.38 120.37 1y8y h ARG 50 Ca 0.33 -0.50 -0.02 0.00 0.07 0.00 0.00 59.98 59.86 1y8y h ARG 50 Cb -0.13 0.03 0.00 0.00 0.08 0.00 0.00 29.97 29.96 1y8y h ARG 50 CO -0.07 1.14 -0.17 1.49 -1.07 0.00 0.00 179.97 181.29 1y8y h GLU 51 N 0.72 -0.45 -0.38 0.04 4.57 -0.27 -2.74 114.58 116.08 1y8y h GLU 51 Ca 0.05 0.03 0.07 0.00 -1.18 0.00 0.00 59.36 58.33 1y8y h GLU 51 Cb 1.02 0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 29.65 1y8y h GLU 51 CO 0.10 -0.17 -0.03 0.82 -1.18 0.00 0.00 179.01 178.55 1y8y h ILE 52 N -0.71 0.68 -0.93 2.32 1.08 0.14 -2.44 117.51 117.65 1y8y h ILE 52 Ca -0.05 -0.02 0.18 0.00 -0.39 0.00 0.00 64.86 64.59 1y8y h ILE 52 Cb 0.49 0.61 -0.08 0.00 -3.07 0.00 0.00 36.82 34.78 1y8y h ILE 52 CO 0.08 0.01 0.60 0.28 -0.69 0.00 0.00 178.15 178.43 1y8y h SER 53 N 0.06 0.57 0.40 1.72 0.02 -1.10 -0.06 113.55 115.17 1y8y h SER 53 Ca 0.18 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 1y8y h SER 53 Cb 0.27 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 1y8y h SER 53 CO -0.34 0.24 -0.07 -0.07 -1.14 0.00 0.00 176.83 175.46 1y8y h LEU 54 N 0.58 0.00 -0.89 5.07 4.07 -1.12 -2.45 115.31 120.57 1y8y h LEU 54 Ca 0.49 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 58.39 1y8y h LEU 54 Cb 0.99 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.72 1y8y h LEU 54 CO -0.24 0.07 -0.31 -0.07 -1.08 0.00 0.00 178.44 176.81 1y8y h LEU 55 N 0.00 0.00 -2.33 1.67 3.38 -1.02 -3.02 115.31 114.00 1y8y h LEU 55 Ca -0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1y8y h LEU 55 Cb 0.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1y8y h LEU 55 CO 0.01 0.31 0.11 0.11 0.09 0.00 0.00 178.44 179.07 1y8y h LYS 56 N 0.00 0.00 0.00 1.13 1.57 -1.47 -1.80 116.57 116.00 1y8y h LYS 56 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1y8y h LYS 56 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.19 1y8y h LYS 56 CO 0.04 0.00 -0.88 0.93 -0.57 0.00 0.00 179.45 178.97 1y8y h GLU 57 N 0.00 0.00 -5.34 3.15 5.08 -1.71 -3.44 114.58 112.33 1y8y h GLU 57 Ca 0.05 0.00 -0.70 0.00 -1.00 0.00 0.00 59.36 57.71 1y8y h GLU 57 Cb 0.27 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.38 1y8y h GLU 57 CO -0.00 0.00 1.61 -1.17 -1.00 0.00 0.00 179.01 178.45 1y8y s LEU 58 N -4.92 4.44 -0.15 1.33 2.96 -0.68 -4.95 118.68 116.70 1y8y s LEU 58 Ca 0.02 -2.51 -0.02 0.00 -0.22 0.00 0.00 54.13 51.39 1y8y s LEU 58 Cb 0.11 -2.48 -0.02 0.00 0.50 0.00 0.00 46.19 44.29 1y8y s LEU 58 CO 0.77 -1.02 -0.07 0.20 -1.32 0.00 0.00 176.35 174.91 1y8y s ASN 59 N 3.67 4.48 -0.07 3.68 0.02 -1.26 -4.91 114.94 120.55 1y8y s ASN 59 Ca 0.46 -0.22 -0.26 0.00 -1.02 0.00 0.00 52.86 51.82 1y8y s ASN 59 Cb -0.00 -1.72 0.06 0.00 0.02 0.00 0.00 41.25 39.60 1y8y s ASN 59 CO 0.01 0.15 0.58 -2.28 0.02 0.00 0.00 177.10 175.58 1y8y s HIS 60 N 0.47 -0.55 -0.67 2.20 2.46 -1.26 -5.02 115.29 112.91 1y8y s HIS 60 Ca -0.06 1.00 0.12 0.00 0.47 0.00 0.00 55.06 56.59 1y8y s HIS 60 Cb -0.15 0.31 0.59 0.00 -0.13 0.00 0.00 32.58 33.20 1y8y s HIS 60 CO 0.03 -0.52 1.36 -2.30 -2.47 0.00 0.00 174.74 170.85 1y8y n PRO 61 N 1.25 0.07 -0.26 2.88 -0.02 -1.26 -1.76 135.00 135.90 1y8y n PRO 61 Ca -0.19 0.50 0.07 0.00 -2.02 0.00 0.00 63.50 61.87 1y8y n PRO 61 Cb 0.57 -1.70 0.18 0.00 -0.02 0.00 0.00 33.50 32.53 1y8y n PRO 61 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1y8y n ASN 62 N -1.84 3.15 -4.19 2.55 4.13 -1.26 -4.88 115.26 112.92 1y8y n ASN 62 Ca 0.00 -2.70 -0.33 0.00 1.68 0.00 0.00 54.58 53.23 1y8y n ASN 62 Cb 0.06 -0.39 -0.16 0.00 -1.54 0.00 0.00 39.78 37.75 1y8y n ASN 62 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1y8y s ILE 63 N -2.24 2.23 -0.09 2.41 -1.09 -0.72 -1.20 121.20 120.49 1y8y s ILE 63 Ca 0.31 -0.92 -0.33 0.00 -2.23 0.00 0.00 60.65 57.48 1y8y s ILE 63 Cb 0.24 -1.91 -0.11 0.00 -1.58 0.00 0.00 42.46 39.11 1y8y s ILE 63 CO 0.08 0.54 1.93 0.52 -1.23 0.00 0.00 174.94 176.78 1y8y n VAL 64 N 4.08 0.59 -2.01 2.92 0.31 -0.70 -4.49 118.33 119.03 1y8y n VAL 64 Ca -0.20 -0.13 -0.42 0.00 -0.01 0.00 0.00 64.34 63.58 1y8y n VAL 64 Cb 0.52 -1.96 -0.03 0.00 -0.91 0.00 0.00 33.84 31.46 1y8y n VAL 64 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1y8y s LYS 65 N 4.35 4.22 -0.34 5.55 2.20 -1.26 -4.85 119.74 129.61 1y8y s LYS 65 Ca 0.93 2.24 -0.29 0.00 -0.36 0.00 0.00 55.97 58.49 1y8y s LYS 65 Cb -0.65 -3.55 0.01 0.00 -1.51 0.00 0.00 37.83 32.14 1y8y s LYS 65 CO 0.50 -0.68 1.18 -1.17 -0.36 0.00 0.00 175.35 174.82 1y8y s LEU 66 N 2.42 3.85 -0.13 5.43 2.96 -1.26 -1.84 118.68 130.11 1y8y s LEU 66 Ca 0.71 0.99 -0.16 0.00 -0.22 0.00 0.00 54.13 55.45 1y8y s LEU 66 Cb -0.38 -3.54 -0.26 0.00 0.50 0.00 0.00 46.19 42.51 1y8y s LEU 66 CO 0.31 -1.04 0.47 -0.07 -1.32 0.00 0.00 176.35 174.70 1y8y h LEU 67 N 10.65 0.31 -7.35 -0.68 3.38 -0.95 -3.45 115.31 117.22 1y8y h LEU 67 Ca -0.23 -0.81 -0.03 0.00 0.09 0.00 0.00 57.88 56.90 1y8y h LEU 67 Cb 1.08 -0.10 -0.12 0.00 0.09 0.00 0.00 40.66 41.61 1y8y h LEU 67 CO 1.05 1.62 0.06 -1.81 0.09 0.00 0.00 178.44 179.45 1y8y s ASP 68 N -6.98 -0.36 -0.14 -0.43 1.01 -1.05 -4.99 116.67 103.72 1y8y s ASP 68 Ca -0.22 -0.26 0.01 0.00 0.71 0.00 0.00 52.55 52.80 1y8y s ASP 68 Cb 0.05 0.55 0.02 0.00 1.01 0.00 0.00 42.92 44.55 1y8y s ASP 68 CO 0.73 -0.96 -0.17 -0.69 0.21 0.00 0.00 175.17 174.29 1y8y s VAL 69 N -3.81 1.74 -0.14 -1.27 1.01 -1.26 -0.87 120.40 115.80 1y8y s VAL 69 Ca 0.04 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.28 1y8y s VAL 69 Cb -0.00 -1.59 0.01 0.00 0.00 0.00 0.00 36.38 34.80 1y8y s VAL 69 CO -0.09 0.49 -0.21 -0.63 0.00 0.00 0.00 175.10 174.66 1y8y s ILE 70 N 1.20 2.19 -0.38 2.22 1.01 0.53 -4.99 121.20 122.99 1y8y s ILE 70 Ca -0.00 -0.94 0.01 0.00 0.00 0.00 0.00 60.65 59.72 1y8y s ILE 70 Cb -0.14 -1.88 0.12 0.00 0.01 0.00 0.00 42.46 40.57 1y8y s ILE 70 CO -0.07 0.54 0.16 -2.28 0.00 0.00 0.00 174.94 173.29 1y8y s HIS 71 N 0.76 2.01 0.04 3.97 2.46 -1.26 -0.09 115.29 123.18 1y8y s HIS 71 Ca -0.08 -2.18 -0.01 0.00 0.47 0.00 0.00 55.06 53.26 1y8y s HIS 71 Cb -0.16 -1.90 -0.03 0.00 -0.13 0.00 0.00 32.58 30.36 1y8y s HIS 71 CO -0.00 -0.84 -0.03 0.95 -2.47 0.00 0.00 174.74 172.35 1y8y s THR 72 N 0.94 0.18 -1.26 0.89 -4.23 -0.93 -4.81 115.64 106.42 1y8y s THR 72 Ca 0.14 -1.50 -0.03 0.00 -1.18 0.00 0.00 61.69 59.12 1y8y s THR 72 Cb -0.21 -1.08 0.03 0.00 1.34 0.00 0.00 72.50 72.58 1y8y s THR 72 CO -0.11 -0.83 0.07 -0.62 -0.54 0.00 0.00 174.62 172.59 1y8y n GLU 73 N 0.63 -0.93 -1.52 3.99 1.02 -1.26 0.10 120.64 122.68 1y8y n GLU 73 Ca -0.17 0.08 -0.08 0.00 -0.02 0.00 0.00 57.16 56.96 1y8y n GLU 73 Cb 0.59 -2.96 -0.03 0.00 -0.02 0.00 0.00 31.44 29.02 1y8y n GLU 73 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1y8y n ASN 74 N -2.16 -2.27 -4.98 1.62 3.02 -1.26 -4.97 115.26 104.25 1y8y n ASN 74 Ca -0.21 0.22 -0.20 0.00 -0.03 0.00 0.00 54.58 54.36 1y8y n ASN 74 Cb 0.53 -2.24 -0.01 0.00 -0.61 0.00 0.00 39.78 37.45 1y8y n ASN 74 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1y8y s LYS 75 N -3.22 3.28 -0.06 3.52 1.02 0.11 -3.94 119.74 120.46 1y8y s LYS 75 Ca 0.00 -0.83 0.03 0.00 0.02 0.00 0.00 55.97 55.19 1y8y s LYS 75 Cb 0.00 -2.83 0.01 0.00 -0.52 0.00 0.00 37.83 34.49 1y8y s LYS 75 CO 0.00 0.21 -0.13 -1.17 -0.92 0.00 0.00 175.35 173.34 1y8y s LEU 76 N -4.12 1.72 -0.07 3.17 2.96 -1.26 -2.19 118.68 118.89 1y8y s LEU 76 Ca 0.40 -0.30 0.02 0.00 -0.22 0.00 0.00 54.13 54.03 1y8y s LEU 76 Cb -0.09 -0.82 0.02 0.00 0.50 0.00 0.00 46.19 45.79 1y8y s LEU 76 CO 0.31 0.06 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.99 1y8y s TYR 77 N 0.48 1.31 -0.14 5.38 2.02 0.87 -0.15 117.35 127.12 1y8y s TYR 77 Ca -0.11 -0.50 -0.06 0.00 -0.37 0.00 0.00 57.07 56.03 1y8y s TYR 77 Cb -0.14 -1.01 -0.04 0.00 -0.40 0.00 0.00 41.96 40.37 1y8y s TYR 77 CO 0.03 -0.30 0.05 -0.51 -1.57 0.00 0.00 175.55 173.25 1y8y s LEU 78 N 0.90 3.82 -0.20 -1.29 1.43 -0.41 -0.35 118.68 122.58 1y8y s LEU 78 Ca -0.10 0.15 -0.04 0.00 -1.03 0.00 0.00 54.13 53.11 1y8y s LEU 78 Cb -0.15 -1.93 -0.02 0.00 0.03 0.00 0.00 46.19 44.12 1y8y s LEU 78 CO 0.01 0.27 -0.02 -0.69 0.23 0.00 0.00 176.35 176.15 1y8y s VAL 79 N -0.22 3.75 0.18 -1.59 1.01 -0.05 -1.09 120.40 122.38 1y8y s VAL 79 Ca 0.07 -0.38 0.10 0.00 0.00 0.00 0.00 61.98 61.77 1y8y s VAL 79 Cb -0.12 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 1y8y s VAL 79 CO 0.01 0.43 -0.21 -0.36 0.00 0.00 0.00 175.10 174.98 1y8y s PHE 80 N 1.08 2.03 0.09 5.22 0.08 0.28 -0.23 117.98 126.53 1y8y s PHE 80 Ca 0.02 -0.42 -0.36 0.00 0.12 0.00 0.00 56.93 56.29 1y8y s PHE 80 Cb -0.14 -1.01 -0.18 0.00 -0.57 0.00 0.00 43.02 41.12 1y8y s PHE 80 CO 0.01 0.40 1.14 -1.91 -0.10 0.00 0.00 175.22 174.76 1y8y n GLU 81 N 0.31 0.69 -3.39 0.44 2.13 -0.77 -1.21 120.64 118.85 1y8y n GLU 81 Ca -0.13 0.25 -0.38 0.00 0.66 0.00 0.00 57.16 57.56 1y8y n GLU 81 Cb 0.56 -1.76 -0.06 0.00 0.27 0.00 0.00 31.44 30.46 1y8y n GLU 81 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 1y8y s PHE 82 N 0.03 3.61 0.08 4.31 2.19 -1.26 -4.45 117.98 122.49 1y8y s PHE 82 Ca 0.82 0.94 0.10 0.00 0.33 0.00 0.00 56.93 59.12 1y8y s PHE 82 Cb -1.03 -2.45 -0.03 0.00 -1.31 0.00 0.00 43.02 38.20 1y8y s PHE 82 CO 0.52 0.37 -0.26 -0.51 1.83 0.00 0.00 175.22 177.16 1y8y s LEU 83 N -0.10 2.23 0.04 6.12 1.02 -1.26 -4.97 118.68 121.75 1y8y s LEU 83 Ca 0.25 -0.65 0.28 0.00 0.02 0.00 0.00 54.13 54.02 1y8y s LEU 83 Cb -0.16 -1.25 1.00 0.00 0.02 0.00 0.00 46.19 45.80 1y8y s LEU 83 CO 0.12 0.23 1.79 1.41 0.02 0.00 0.00 176.35 179.91 1y8y n HIS 84 N 1.44 0.19 -3.65 0.29 8.25 -1.26 -4.93 115.22 115.56 1y8y n HIS 84 Ca -0.17 0.06 -0.14 0.00 -0.26 0.00 0.00 57.72 57.20 1y8y n HIS 84 Cb 0.52 -0.54 -0.08 0.00 1.12 0.00 0.00 29.99 31.01 1y8y n HIS 84 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1y8y s GLN 85 N -3.03 0.77 0.46 -0.41 0.74 -1.25 -5.04 119.66 111.91 1y8y s GLN 85 Ca 0.13 0.67 0.08 0.00 0.05 0.00 0.00 55.36 56.29 1y8y s GLN 85 Cb 0.17 0.37 0.01 0.00 1.10 0.00 0.00 33.01 34.66 1y8y s GLN 85 CO 0.58 -0.14 0.46 0.16 -0.55 0.00 0.00 175.29 175.80 1y8y s ASP 86 N -0.06 5.05 0.30 6.67 1.47 -1.26 -0.75 116.67 128.09 1y8y s ASP 86 Ca -0.03 -0.82 0.13 0.00 1.18 0.00 0.00 52.55 53.01 1y8y s ASP 86 Cb -0.04 -0.28 0.45 0.00 -0.34 0.00 0.00 42.92 42.72 1y8y s ASP 86 CO 0.03 -0.84 1.65 0.25 0.68 0.00 0.00 175.17 176.93 1y8y h LEU 87 N 0.81 0.00 0.33 2.11 5.85 -0.79 -2.61 115.31 121.01 1y8y h LEU 87 Ca -0.39 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.32 1y8y h LEU 87 Cb 1.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.31 1y8y h LEU 87 CO 0.54 0.54 -0.16 0.50 -0.34 0.00 0.00 178.44 179.52 1y8y h LYS 88 N 0.00 -0.43 -0.63 1.25 3.64 -1.86 0.21 116.57 118.75 1y8y h LYS 88 Ca -0.01 0.03 0.13 0.00 -1.27 0.00 0.00 60.65 59.54 1y8y h LYS 88 Cb 1.03 0.10 -0.11 0.00 -0.41 0.00 0.00 32.23 32.84 1y8y h LYS 88 CO 0.07 -0.19 -0.07 -0.22 -2.27 0.00 0.00 179.45 176.77 1y8y h LYS 89 N -0.60 0.06 -0.29 1.90 3.64 -1.93 0.61 116.57 119.95 1y8y h LYS 89 Ca -0.05 -0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.21 1y8y h LYS 89 Cb 0.44 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1y8y h LYS 89 CO 0.08 0.04 -0.31 0.35 -2.27 0.00 0.00 179.45 177.33 1y8y h PHE 90 N 0.06 0.72 -0.02 1.91 3.57 -1.31 0.46 116.94 122.33 1y8y h PHE 90 Ca 0.32 -0.18 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 1y8y h PHE 90 Cb 0.52 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.09 1y8y h PHE 90 CO -0.44 0.86 -0.00 0.52 -2.23 0.00 0.00 178.31 177.02 1y8y h MET 91 N 0.53 0.04 -0.54 1.11 2.86 0.18 -1.15 114.93 117.95 1y8y h MET 91 Ca 0.06 -0.01 0.11 0.00 -2.06 0.00 0.00 59.70 57.80 1y8y h MET 91 Cb 0.80 -0.00 -0.11 0.00 0.06 0.00 0.00 31.60 32.35 1y8y h MET 91 CO 0.07 0.36 -0.19 -0.44 1.06 0.00 0.00 176.91 177.76 1y8y h ASP 92 N -0.29 -0.67 -0.67 1.22 3.32 0.42 -2.30 116.42 117.44 1y8y h ASP 92 Ca 0.01 0.18 0.12 0.00 0.02 0.00 0.00 57.03 57.35 1y8y h ASP 92 Cb 0.34 0.40 -0.04 0.00 0.22 0.00 0.00 39.33 40.25 1y8y h ASP 92 CO 0.00 -0.22 0.45 0.00 -1.72 0.00 0.00 179.24 177.74 1y8y h ALA 93 N 1.39 2.03 -0.52 3.45 0.00 0.12 -2.60 119.26 123.12 1y8y h ALA 93 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1y8y h ALA 93 Cb 0.45 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1y8y h ALA 93 CO -0.59 -0.19 0.00 0.43 0.00 0.00 0.00 179.25 178.90 1y8y n SER 94 N -4.47 3.37 0.21 0.00 7.64 -0.45 -4.71 113.62 115.20 1y8y n SER 94 Ca 0.12 -2.18 0.05 0.00 1.01 0.00 0.00 58.87 57.86 1y8y n SER 94 Cb 0.42 -0.44 0.48 0.00 -1.01 0.00 0.00 64.21 63.66 1y8y n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1y8y h ALA 95 N 3.88 1.66 0.12 -0.43 0.00 -1.19 0.71 119.26 124.00 1y8y h ALA 95 Ca 0.00 -0.18 -0.28 0.00 0.00 0.00 0.00 54.91 54.44 1y8y h ALA 95 Cb 0.97 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.74 1y8y h ALA 95 CO 0.10 0.26 -1.22 -0.07 0.00 0.00 0.00 179.25 178.32 1y8y h LEU 96 N 0.03 0.66 0.00 0.00 4.07 -1.86 -3.33 115.31 114.88 1y8y h LEU 96 Ca 0.00 -0.64 0.00 0.00 0.08 0.00 0.00 57.88 57.33 1y8y h LEU 96 Cb 0.35 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.88 1y8y h LEU 96 CO 0.03 1.47 -0.90 0.35 -1.08 0.00 0.00 178.44 178.30 1y8y n THR 97 N -3.69 0.00 -0.49 0.22 -2.24 -1.18 -5.13 114.28 101.76 1y8y n THR 97 Ca -0.11 -0.25 0.04 0.00 -2.27 0.00 0.00 64.05 61.46 1y8y n THR 97 Cb 0.99 0.70 -0.02 0.00 -2.10 0.00 0.00 70.33 69.90 1y8y n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1y8y n GLY 98 N 1.50 -3.00 3.72 3.38 0.00 0.25 -4.84 105.19 106.19 1y8y n GLY 98 Ca 0.00 -1.26 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 1y8y n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y8y s ILE 99 N -3.81 2.08 0.36 -0.61 1.01 -1.26 -4.93 121.20 114.04 1y8y s ILE 99 Ca 0.00 0.01 -0.27 0.00 0.00 0.00 0.00 60.65 60.39 1y8y s ILE 99 Cb 0.00 -3.01 -0.12 0.00 0.01 0.00 0.00 42.46 39.34 1y8y s ILE 99 CO 0.00 0.00 1.25 -2.65 0.00 0.00 0.00 174.94 173.54 1y8y n PRO 100 N 4.19 1.98 -0.31 2.79 -0.02 -1.26 -4.71 135.00 137.65 1y8y n PRO 100 Ca 0.16 0.70 0.11 0.00 -2.02 0.00 0.00 63.50 62.45 1y8y n PRO 100 Cb 0.35 -2.28 0.33 0.00 -0.02 0.00 0.00 33.50 31.88 1y8y n PRO 100 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1y8y h LEU 101 N 2.34 0.75 -1.08 2.45 5.85 -1.98 -0.40 115.31 123.25 1y8y h LEU 101 Ca -0.46 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.31 1y8y h LEU 101 Cb 1.29 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.19 1y8y h LEU 101 CO 0.61 0.36 0.53 -0.65 -0.34 0.00 0.00 178.44 178.96 1y8y h PRO 102 N 0.78 1.16 -0.12 5.25 0.11 -1.98 -0.40 132.00 136.81 1y8y h PRO 102 Ca 0.49 -0.10 -0.18 0.00 0.11 0.00 0.00 66.00 66.33 1y8y h PRO 102 Cb 0.71 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 31.56 1y8y h PRO 102 CO -0.25 0.80 -0.66 1.25 -0.21 0.00 0.00 178.00 178.93 1y8y h LEU 103 N 1.18 0.55 -0.19 2.35 5.85 -1.57 -1.70 115.31 121.79 1y8y h LEU 103 Ca 0.31 -0.33 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1y8y h LEU 103 Cb -0.07 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 1y8y h LEU 103 CO -0.06 1.06 0.10 0.40 -0.34 0.00 0.00 178.44 179.60 1y8y h ILE 104 N 0.34 1.11 -0.48 4.05 2.04 -0.69 -1.01 117.51 122.87 1y8y h ILE 104 Ca -0.02 -0.29 0.03 0.00 1.00 0.00 0.00 64.86 65.58 1y8y h ILE 104 Cb 1.23 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 38.23 1y8y h ILE 104 CO 0.12 0.10 0.26 0.50 0.00 0.00 0.00 178.15 179.13 1y8y h LYS 105 N 0.20 0.50 -0.56 2.37 3.64 -1.09 0.41 116.57 122.04 1y8y h LYS 105 Ca 0.07 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 1y8y h LYS 105 Cb 0.07 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 1y8y h LYS 105 CO -0.01 0.33 0.07 1.03 -2.27 0.00 0.00 179.45 178.60 1y8y h SER 106 N 0.51 0.90 0.29 4.20 0.87 -1.24 -0.16 113.55 118.92 1y8y h SER 106 Ca 0.20 -0.27 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 1y8y h SER 106 Cb 0.07 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.80 1y8y h SER 106 CO -0.12 0.94 -0.14 1.88 -0.53 0.00 0.00 176.83 178.87 1y8y h TYR 107 N 0.83 -0.36 -0.88 2.24 0.05 -1.01 -0.91 116.97 116.93 1y8y h TYR 107 Ca 0.17 -0.01 0.21 0.00 0.05 0.00 0.00 58.73 59.15 1y8y h TYR 107 Cb 0.44 0.12 -0.12 0.00 1.01 0.00 0.00 36.73 38.18 1y8y h TYR 107 CO 0.03 -0.19 0.39 1.25 -1.05 0.00 0.00 178.16 178.59 1y8y h LEU 108 N -0.43 0.34 -0.50 3.88 5.85 -0.83 -1.39 115.31 122.23 1y8y h LEU 108 Ca -0.04 0.15 -0.15 0.00 0.84 0.00 0.00 57.88 58.67 1y8y h LEU 108 Cb 0.33 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1y8y h LEU 108 CO 0.06 0.02 -0.43 0.15 -0.34 0.00 0.00 178.44 177.91 1y8y h PHE 109 N 0.42 0.91 -0.16 1.25 3.57 -0.67 0.41 116.94 122.67 1y8y h PHE 109 Ca 0.54 -0.28 -0.20 0.00 3.53 0.00 0.00 57.97 61.56 1y8y h PHE 109 Cb 1.00 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.55 1y8y h PHE 109 CO -0.14 1.05 -0.70 1.96 -2.23 0.00 0.00 178.31 178.25 1y8y h GLN 110 N 0.61 0.67 -0.35 1.11 4.20 -0.67 -2.42 115.11 118.27 1y8y h GLN 110 Ca 0.04 -0.51 -0.09 0.00 0.06 0.00 0.00 58.65 58.15 1y8y h GLN 110 Cb 0.99 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.85 1y8y h GLN 110 CO 0.09 1.13 -0.15 -0.07 -0.67 0.00 0.00 178.83 179.16 1y8y h LEU 111 N 0.47 0.74 -0.95 1.46 3.38 -1.09 -0.86 115.31 118.46 1y8y h LEU 111 Ca -0.03 -0.40 0.12 0.00 0.09 0.00 0.00 57.88 57.67 1y8y h LEU 111 Cb 1.30 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 41.76 1y8y h LEU 111 CO 0.14 0.97 0.57 -0.07 0.09 0.00 0.00 178.44 180.14 1y8y h LEU 112 N 0.50 0.82 -0.29 1.67 3.38 -0.92 -0.41 115.31 120.06 1y8y h LEU 112 Ca 0.08 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 1y8y h LEU 112 Cb 0.68 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1y8y h LEU 112 CO 0.05 0.42 0.00 1.56 0.09 0.00 0.00 178.44 180.56 1y8y h GLN 113 N 0.89 0.51 -0.21 1.13 4.20 -0.97 0.23 115.11 120.89 1y8y h GLN 113 Ca 0.48 -0.16 0.05 0.00 0.06 0.00 0.00 58.65 59.08 1y8y h GLN 113 Cb 0.52 -0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.20 1y8y h GLN 113 CO -0.28 0.66 -0.15 0.78 -0.67 0.00 0.00 178.83 179.17 1y8y h GLY 114 N 0.30 0.00 0.78 3.46 0.00 -0.78 -1.58 103.07 105.25 1y8y h GLY 114 Ca 0.08 0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.60 1y8y h GLY 114 CO 0.01 -0.15 -0.16 1.41 0.00 0.00 0.00 176.54 177.65 1y8y h LEU 115 N -0.14 -0.44 -1.11 3.11 3.38 -1.00 -2.27 115.31 116.84 1y8y h LEU 115 Ca 0.12 0.04 0.18 0.00 0.09 0.00 0.00 57.88 58.32 1y8y h LEU 115 Cb 0.32 0.16 -0.10 0.00 0.09 0.00 0.00 40.66 41.13 1y8y h LEU 115 CO -0.29 -0.24 0.61 0.00 0.09 0.00 0.00 178.44 178.61 1y8y h ALA 116 N 0.46 1.76 0.21 1.53 0.00 -0.31 0.15 119.26 123.06 1y8y h ALA 116 Ca 0.01 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1y8y h ALA 116 Cb 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1y8y h ALA 116 CO -0.05 -0.10 -0.10 0.35 0.00 0.00 0.00 179.25 179.34 1y8y h PHE 117 N 0.72 -0.26 -0.27 0.00 3.57 -1.15 -1.56 116.94 118.00 1y8y h PHE 117 Ca 0.55 -0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.88 1y8y h PHE 117 Cb 0.91 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 1y8y h PHE 117 CO -0.00 -0.03 -0.47 0.00 -2.23 0.00 0.00 178.31 175.58 1y8y h HIS 119 N 0.57 0.10 -0.02 0.00 3.86 -0.75 -0.71 115.15 118.20 1y8y h HIS 119 Ca 0.03 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1y8y h HIS 119 Cb 1.03 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 29.48 1y8y h HIS 119 CO 0.05 0.52 -0.02 0.66 0.86 0.00 0.00 177.93 180.00 1y8y h SER 120 N 0.07 0.02 -0.53 2.45 4.64 -1.22 -0.76 113.55 118.23 1y8y h SER 120 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1y8y h SER 120 Cb 0.82 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 1y8y h SER 120 CO 0.06 0.05 0.00 1.41 -0.87 0.00 0.00 176.83 177.48 1y8y n HIS 121 N -4.50 1.06 -1.82 4.77 8.25 -0.61 -4.95 115.22 117.43 1y8y n HIS 121 Ca -0.03 -0.44 -0.20 0.00 -0.26 0.00 0.00 57.72 56.79 1y8y n HIS 121 Cb 0.12 -0.15 -0.07 0.00 1.12 0.00 0.00 29.99 31.01 1y8y n HIS 121 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1y8y n ARG 122 N 0.93 -1.48 -3.90 -0.41 1.74 -0.29 -4.99 116.66 108.25 1y8y n ARG 122 Ca 0.20 1.15 -0.35 0.00 -0.77 0.00 0.00 57.85 58.08 1y8y n ARG 122 Cb 0.66 -5.60 -0.09 0.00 -1.02 0.00 0.00 32.46 26.41 1y8y n ARG 122 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1y8y s VAL 123 N -2.83 5.08 0.34 1.55 1.01 -0.37 -4.99 120.40 120.18 1y8y s VAL 123 Ca 0.00 0.07 0.09 0.00 0.00 0.00 0.00 61.98 62.13 1y8y s VAL 123 Cb 0.00 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.04 1y8y s VAL 123 CO 0.00 0.48 0.06 -1.48 0.00 0.00 0.00 175.10 174.16 1y8y s LEU 124 N 0.17 3.07 -0.17 3.92 2.34 -1.26 -3.45 118.68 123.31 1y8y s LEU 124 Ca 0.07 -0.93 -0.13 0.00 0.06 0.00 0.00 54.13 53.19 1y8y s LEU 124 Cb -0.12 -1.47 -0.07 0.00 -0.56 0.00 0.00 46.19 43.97 1y8y s LEU 124 CO -0.00 -0.27 -0.15 1.57 -1.06 0.00 0.00 176.35 176.44 1y8y n HIS 125 N -1.03 0.74 0.00 3.48 -0.00 -1.26 -3.16 115.22 113.99 1y8y n HIS 125 Ca -0.04 0.32 0.00 0.00 -0.00 0.00 0.00 57.72 58.00 1y8y n HIS 125 Cb 0.62 -0.80 0.00 0.00 -0.00 0.00 0.00 29.99 29.81 1y8y n HIS 125 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 1y8y n ARG 126 N -4.53 0.00 -2.74 1.57 0.63 -1.26 -4.32 116.66 106.00 1y8y n ARG 126 Ca -0.16 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.73 1y8y n ARG 126 Cb 0.42 -1.04 0.05 0.00 0.45 0.00 0.00 32.46 32.34 1y8y n ARG 126 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1y8y n ASP 127 N 0.00 1.19 -4.77 6.15 2.03 -1.26 -5.01 116.55 114.88 1y8y n ASP 127 Ca 0.00 -2.36 -0.40 0.00 0.52 0.00 0.00 54.79 52.55 1y8y n ASP 127 Cb 0.00 -0.37 -0.01 0.00 -0.72 0.00 0.00 41.12 40.02 1y8y n ASP 127 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1y8y s LEU 128 N -3.49 4.29 -0.12 -2.67 1.43 -1.26 -4.93 118.68 111.92 1y8y s LEU 128 Ca 0.26 2.67 -0.31 0.00 -1.03 0.00 0.00 54.13 55.72 1y8y s LEU 128 Cb 0.39 -3.82 0.12 0.00 0.03 0.00 0.00 46.19 42.92 1y8y s LEU 128 CO -0.01 -0.74 1.02 -1.59 0.23 0.00 0.00 176.35 175.25 1y8y s LYS 129 N -2.09 0.59 0.48 1.70 -2.85 -1.26 -4.76 119.74 111.55 1y8y s LYS 129 Ca 0.54 -0.07 0.29 0.00 -1.00 0.00 0.00 55.97 55.73 1y8y s LYS 129 Cb -0.39 0.28 1.36 0.00 -2.06 0.00 0.00 37.83 37.02 1y8y s LYS 129 CO 0.50 -0.23 1.79 -1.35 0.10 0.00 0.00 175.35 176.16 1y8y h PRO 130 N 2.23 0.16 0.00 1.78 0.11 -1.94 -0.44 132.00 133.90 1y8y h PRO 130 Ca -0.17 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1y8y h PRO 130 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1y8y h PRO 130 CO 0.29 0.11 0.00 1.04 -0.21 0.00 0.00 178.00 179.23 1y8y n GLN 131 N -4.39 0.16 -0.51 1.05 6.02 -1.26 -2.66 117.38 115.79 1y8y n GLN 131 Ca 0.25 0.46 0.04 0.00 -0.01 0.00 0.00 57.00 57.75 1y8y n GLN 131 Cb 1.09 -1.85 0.20 0.00 1.02 0.00 0.00 30.24 30.69 1y8y n GLN 131 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1y8y n ASN 132 N -2.15 2.32 -4.04 1.08 0.23 -0.18 -4.87 115.26 107.66 1y8y n ASN 132 Ca 0.01 -3.57 -0.31 0.00 -0.53 0.00 0.00 54.58 50.18 1y8y n ASN 132 Cb 0.17 -0.54 -0.15 0.00 -2.08 0.00 0.00 39.78 37.18 1y8y n ASN 132 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1y8y s LEU 133 N -3.11 4.18 0.04 -4.53 1.43 -1.09 -0.23 118.68 115.37 1y8y s LEU 133 Ca 0.39 -1.82 0.05 0.00 -1.03 0.00 0.00 54.13 51.71 1y8y s LEU 133 Cb 0.36 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.95 1y8y s LEU 133 CO -0.01 -0.30 -0.08 -0.76 0.23 0.00 0.00 176.35 175.44 1y8y s LEU 134 N 0.99 3.13 0.13 1.79 1.43 0.19 -0.89 118.68 125.45 1y8y s LEU 134 Ca 0.02 -0.22 0.11 0.00 -1.03 0.00 0.00 54.13 53.01 1y8y s LEU 134 Cb -0.19 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 1y8y s LEU 134 CO -0.07 0.25 -0.27 0.27 0.23 0.00 0.00 176.35 176.76 1y8y s ILE 135 N -1.07 2.27 0.34 -0.59 -4.36 0.07 -0.60 121.20 117.26 1y8y s ILE 135 Ca 0.19 -1.75 0.01 0.00 -0.26 0.00 0.00 60.65 58.83 1y8y s ILE 135 Cb -0.11 -2.00 0.01 0.00 1.25 0.00 0.00 42.46 41.61 1y8y s ILE 135 CO 0.10 0.09 0.11 -0.46 0.24 0.00 0.00 174.94 175.02 1y8y n ASN 136 N 0.91 2.59 0.00 4.36 0.23 -0.87 -3.87 115.26 118.61 1y8y n ASN 136 Ca -0.18 -2.35 0.15 0.00 -0.53 0.00 0.00 54.58 51.66 1y8y n ASN 136 Cb 0.53 0.13 0.84 0.00 -2.08 0.00 0.00 39.78 39.19 1y8y n ASN 136 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1y8y n THR 137 N -1.03 0.02 -0.01 5.53 -2.24 -1.26 -3.34 114.28 111.96 1y8y n THR 137 Ca -0.09 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.81 1y8y n THR 137 Cb 0.41 -0.54 0.28 0.00 -2.10 0.00 0.00 70.33 68.38 1y8y n THR 137 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1y8y n GLU 138 N -1.06 2.57 -0.75 -0.78 -0.58 -1.26 -4.85 120.64 113.93 1y8y n GLU 138 Ca 0.20 -2.42 0.00 0.00 -0.42 0.00 0.00 57.16 54.52 1y8y n GLU 138 Cb 0.13 -1.53 0.00 0.00 -0.57 0.00 0.00 31.44 29.46 1y8y n GLU 138 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1y8y n GLY 139 N 1.57 0.72 3.85 0.62 0.00 -1.21 -4.85 105.19 105.90 1y8y n GLY 139 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 1y8y n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y8y s ALA 140 N -2.59 3.10 0.01 4.61 0.00 -1.26 -4.89 121.76 120.74 1y8y s ALA 140 Ca 0.00 0.05 0.02 0.00 0.00 0.00 0.00 51.96 52.03 1y8y s ALA 140 Cb 0.00 -3.07 -0.01 0.00 0.00 0.00 0.00 23.12 20.04 1y8y s ALA 140 CO 0.00 -0.37 -0.07 -1.50 0.00 0.00 0.00 175.76 173.82 1y8y s ILE 141 N -2.79 0.52 0.00 0.00 2.07 -1.26 -2.05 121.20 117.69 1y8y s ILE 141 Ca 0.57 -0.54 -0.02 0.00 -1.41 0.00 0.00 60.65 59.25 1y8y s ILE 141 Cb -0.10 -0.49 -0.01 0.00 0.13 0.00 0.00 42.46 41.99 1y8y s ILE 141 CO 0.39 -0.03 0.03 -0.54 -1.91 0.00 0.00 174.94 172.88 1y8y s LYS 142 N -0.63 0.23 -0.20 3.50 1.02 0.23 -4.68 119.74 119.21 1y8y s LYS 142 Ca -0.02 -0.28 -0.19 0.00 0.02 0.00 0.00 55.97 55.50 1y8y s LYS 142 Cb -0.05 0.09 -0.03 0.00 -0.52 0.00 0.00 37.83 37.32 1y8y s LYS 142 CO 0.00 -0.04 0.57 -0.51 -0.92 0.00 0.00 175.35 174.45 1y8y s LEU 143 N -0.80 4.14 0.23 3.17 1.43 -0.34 -0.64 118.68 125.87 1y8y s LEU 143 Ca -0.09 0.74 -0.06 0.00 -1.03 0.00 0.00 54.13 53.70 1y8y s LEU 143 Cb -0.05 -2.79 -0.06 0.00 0.03 0.00 0.00 46.19 43.32 1y8y s LEU 143 CO -0.00 -0.22 0.50 0.00 0.23 0.00 0.00 176.35 176.85 1y8y s ALA 144 N 1.76 3.67 -1.32 4.21 0.00 0.68 -1.72 121.76 129.04 1y8y s ALA 144 Ca 0.26 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.71 1y8y s ALA 144 Cb -0.16 -2.27 0.00 0.00 0.00 0.00 0.00 23.12 20.70 1y8y s ALA 144 CO 0.10 0.43 0.00 -0.25 0.00 0.00 0.00 175.76 176.04 1y8y n ASP 145 N -0.46 -4.49 -4.73 0.00 9.92 -1.26 -4.90 116.55 110.64 1y8y n ASP 145 Ca -0.02 0.30 -0.42 0.00 -0.53 0.00 0.00 54.79 54.12 1y8y n ASP 145 Cb 0.53 -3.10 -0.02 0.00 -0.64 0.00 0.00 41.12 37.89 1y8y n ASP 145 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1y8y n PHE 146 N -2.67 2.76 0.00 1.24 -0.00 -1.26 -2.64 117.46 114.89 1y8y n PHE 146 Ca -0.12 0.15 0.00 0.00 -0.00 0.00 0.00 57.45 57.47 1y8y n PHE 146 Cb 0.41 -2.63 0.00 0.00 -0.00 0.00 0.00 39.48 37.26 1y8y n PHE 146 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1y8y n GLY 147 N 3.14 1.95 0.19 7.13 0.00 -1.19 -4.92 105.19 111.48 1y8y n GLY 147 Ca 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 1y8y n GLY 147 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1y8y h LEU 148 N 0.00 0.19 -1.17 0.99 3.38 -1.80 -3.07 115.31 113.83 1y8y h LEU 148 Ca 0.00 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 1y8y h LEU 148 Cb 0.00 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1y8y h LEU 148 CO 0.00 0.62 -0.35 0.00 0.09 0.00 0.00 178.44 178.80 1y8y h ALA 149 N 1.38 1.31 -0.05 1.53 0.00 -1.80 -0.76 119.26 120.87 1y8y h ALA 149 Ca 0.01 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 54.41 1y8y h ALA 149 Cb 0.86 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1y8y h ALA 149 CO 0.07 0.49 -0.69 -0.09 0.00 0.00 0.00 179.25 179.03 1y8y h ARG 150 N 0.10 0.25 -0.10 0.00 2.43 -1.84 0.15 114.38 115.37 1y8y h ARG 150 Ca 0.01 -0.19 -0.03 0.00 -0.81 0.00 0.00 59.98 58.95 1y8y h ARG 150 Cb 0.67 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1y8y h ARG 150 CO 0.05 0.84 -0.06 0.00 -1.51 0.00 0.00 179.97 179.29 1y8y h ALA 151 N 1.11 0.15 -0.01 2.80 0.00 -1.33 -3.39 119.26 118.58 1y8y h ALA 151 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1y8y h ALA 151 Cb 1.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1y8y h ALA 151 CO 0.11 -0.07 -0.13 1.19 0.00 0.00 0.00 179.25 180.35 1y8y n PHE 152 N -4.70 0.00 0.00 0.00 3.72 -0.34 -4.63 117.46 111.50 1y8y n PHE 152 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1y8y n PHE 152 Cb 0.29 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.83 1y8y n PHE 152 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1y8y n GLY 153 N 0.74 -2.41 3.10 1.37 0.00 0.53 -4.86 105.19 103.66 1y8y n GLY 153 Ca 0.03 -1.47 -0.34 0.00 0.00 0.00 0.00 46.02 44.24 1y8y n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y8y s VAL 154 N -2.73 2.79 0.71 1.61 1.01 -1.26 -4.70 120.40 117.83 1y8y s VAL 154 Ca 0.00 -1.95 -0.11 0.00 0.00 0.00 0.00 61.98 59.92 1y8y s VAL 154 Cb 0.00 -2.86 0.01 0.00 0.00 0.00 0.00 36.38 33.54 1y8y s VAL 154 CO 0.00 -0.46 1.08 -2.16 0.00 0.00 0.00 175.10 173.56 1y8y s PRO 155 N 1.09 2.86 0.08 2.72 0.04 -1.26 -4.98 135.00 135.55 1y8y s PRO 155 Ca 0.04 0.62 -0.17 0.00 0.04 0.00 0.00 61.00 61.53 1y8y s PRO 155 Cb -0.21 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.23 1y8y s PRO 155 CO -0.05 -1.07 1.42 0.28 0.04 0.00 0.00 177.00 177.63 1y8y h VAL 156 N -0.68 1.31 -4.12 -0.36 2.07 -1.96 -3.43 116.25 109.07 1y8y h VAL 156 Ca -0.45 -1.33 -0.67 0.00 0.82 0.00 0.00 66.70 65.07 1y8y h VAL 156 Cb 1.24 1.60 -0.24 0.00 -1.52 0.00 0.00 31.29 32.36 1y8y h VAL 156 CO 0.62 0.42 -0.87 -0.13 0.02 0.00 0.00 177.57 177.63 1y8y s ARG 157 N -4.45 1.55 0.83 1.57 1.81 -1.26 -1.35 118.95 117.65 1y8y s ARG 157 Ca -0.13 -1.18 -0.11 0.00 -1.72 0.00 0.00 55.73 52.59 1y8y s ARG 157 Cb 0.08 -1.84 0.09 0.00 -0.45 0.00 0.00 34.95 32.82 1y8y s ARG 157 CO 0.80 0.46 1.09 0.95 -0.68 0.00 0.00 175.30 177.92 1y8y s THR 158 N -0.92 3.02 0.57 0.02 -4.23 0.88 -4.82 115.64 110.15 1y8y s THR 158 Ca 0.12 0.33 0.36 0.00 -1.18 0.00 0.00 61.69 61.32 1y8y s THR 158 Cb -0.10 -2.89 0.53 0.00 1.34 0.00 0.00 72.50 71.39 1y8y s THR 158 CO 0.04 -0.43 1.70 0.10 -0.54 0.00 0.00 174.62 175.48 1y8y h TYR 159 N -1.29 0.00 -0.14 3.99 -0.00 -1.83 1.67 116.97 119.37 1y8y h TYR 159 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.26 1y8y h TYR 159 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.99 1y8y h TYR 159 CO 0.49 0.00 0.00 0.25 -0.00 0.00 0.00 178.16 178.90 1y8y n THR 160 N -3.90 0.17 -0.71 -0.90 -2.24 -1.26 -4.92 114.28 100.52 1y8y n THR 160 Ca 0.25 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1y8y n THR 160 Cb 1.32 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 69.99 1y8y n THR 160 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1y8y n HIS 161 N 0.34 0.00 -1.62 4.78 8.25 0.57 -4.98 115.22 122.56 1y8y n HIS 161 Ca 0.17 0.00 -0.49 0.00 -0.26 0.00 0.00 57.72 57.14 1y8y n HIS 161 Cb 0.35 -0.07 -0.05 0.00 1.12 0.00 0.00 29.99 31.34 1y8y n HIS 161 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1y8y n GLU 162 N -2.00 1.54 -2.04 -0.41 2.13 -1.26 -4.61 120.64 114.00 1y8y n GLU 162 Ca 0.00 0.56 -0.42 0.00 0.66 0.00 0.00 57.16 57.95 1y8y n GLU 162 Cb 0.00 -2.23 -0.03 0.00 0.27 0.00 0.00 31.44 29.46 1y8y n GLU 162 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1y8y s VAL 163 N 0.51 3.21 0.13 6.31 1.01 -1.26 -0.09 120.40 130.22 1y8y s VAL 163 Ca 0.80 0.71 -0.30 0.00 0.00 0.00 0.00 61.98 63.18 1y8y s VAL 163 Cb -0.83 -3.45 -0.07 0.00 0.00 0.00 0.00 36.38 32.03 1y8y s VAL 163 CO 0.45 0.01 1.18 -0.69 0.00 0.00 0.00 175.10 176.05 1y8y s VAL 164 N 2.21 3.83 0.34 2.92 1.01 -0.46 -4.92 120.40 125.33 1y8y s VAL 164 Ca 0.69 1.43 -0.29 0.00 0.00 0.00 0.00 61.98 63.82 1y8y s VAL 164 Cb -0.38 -3.91 -0.10 0.00 0.00 0.00 0.00 36.38 31.99 1y8y s VAL 164 CO 0.30 0.18 1.35 -0.89 0.00 0.00 0.00 175.10 176.03 1y8y s THR 165 N 0.44 2.58 -1.25 3.92 2.01 -1.26 -4.92 115.64 117.16 1y8y s THR 165 Ca 0.55 0.58 0.24 0.00 0.31 0.00 0.00 61.69 63.37 1y8y s THR 165 Cb -0.31 -3.37 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 1y8y s THR 165 CO 0.33 0.14 1.26 0.18 -0.69 0.00 0.00 174.62 175.84 1y8y n LEU 166 N 0.76 0.91 0.03 4.42 4.77 -1.26 -4.65 117.00 121.98 1y8y n LEU 166 Ca 0.00 -0.27 0.18 0.00 -0.03 0.00 0.00 56.01 55.89 1y8y n LEU 166 Cb 0.41 -0.13 0.68 0.00 -2.33 0.00 0.00 43.42 42.06 1y8y n LEU 166 CO 0.60 0.20 1.17 -0.50 -1.33 0.00 0.00 177.39 177.53 1y8y h TRP 167 N 0.49 0.00 -0.46 -1.77 4.06 -1.82 -0.17 115.95 116.28 1y8y h TRP 167 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1y8y h TRP 167 Cb 0.53 -0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.69 1y8y h TRP 167 CO 0.00 0.00 0.00 0.66 -3.56 0.00 0.00 178.44 175.54 1y8y n TYR 168 N -4.40 0.61 -2.65 0.49 4.01 -1.26 -4.55 117.16 109.41 1y8y n TYR 168 Ca 0.08 -0.49 -0.42 0.00 -0.16 0.00 0.00 57.90 56.91 1y8y n TYR 168 Cb 0.53 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 39.52 1y8y n TYR 168 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1y8y s ARG 169 N -1.00 4.52 0.56 -0.72 3.52 -0.08 -3.96 118.95 121.78 1y8y s ARG 169 Ca 0.31 1.49 -0.19 0.00 -0.13 0.00 0.00 55.73 57.20 1y8y s ARG 169 Cb 0.16 -3.45 -0.05 0.00 -1.56 0.00 0.00 34.95 30.05 1y8y s ARG 169 CO 0.21 -0.13 1.15 0.00 -0.81 0.00 0.00 175.30 175.72 1y8y s ALA 170 N 1.18 2.65 0.26 6.12 0.00 -1.26 -4.88 121.76 125.82 1y8y s ALA 170 Ca 0.53 0.87 -0.04 0.00 0.00 0.00 0.00 51.96 53.32 1y8y s ALA 170 Cb -0.22 -3.38 0.31 0.00 0.00 0.00 0.00 23.12 19.82 1y8y s ALA 170 CO 0.27 -0.87 1.87 -1.00 0.00 0.00 0.00 175.76 176.03 1y8y h PRO 171 N 1.11 1.12 -0.47 0.00 0.13 -1.95 -1.41 132.00 130.53 1y8y h PRO 171 Ca -0.50 -0.14 0.10 0.00 -0.87 0.00 0.00 66.00 64.59 1y8y h PRO 171 Cb 1.27 -0.22 -0.02 0.00 0.13 0.00 0.00 31.00 32.16 1y8y h PRO 171 CO 0.56 0.84 0.33 1.05 -0.23 0.00 0.00 178.00 180.55 1y8y h GLU 172 N 1.12 0.17 0.07 0.86 9.09 -1.93 0.19 114.58 124.16 1y8y h GLU 172 Ca 0.28 -0.01 -0.24 0.00 0.05 0.00 0.00 59.36 59.44 1y8y h GLU 172 Cb 0.06 -0.04 0.02 0.00 -1.65 0.00 0.00 28.75 27.14 1y8y h GLU 172 CO -0.04 0.12 -0.97 0.82 0.05 0.00 0.00 179.01 178.99 1y8y h ILE 173 N 0.18 1.35 0.00 -1.06 2.04 -1.58 -1.68 117.51 116.75 1y8y h ILE 173 Ca 0.22 -2.32 -0.03 0.00 1.00 0.00 0.00 64.86 63.73 1y8y h ILE 173 Cb 0.64 2.68 -0.00 0.00 -0.74 0.00 0.00 36.82 39.39 1y8y h ILE 173 CO -0.03 0.69 -0.13 -0.07 0.00 0.00 0.00 178.15 178.60 1y8y h LEU 174 N 0.10 0.00 -1.49 1.44 3.38 -1.13 -2.77 115.31 114.84 1y8y h LEU 174 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1y8y h LEU 174 Cb 1.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.42 1y8y h LEU 174 CO 0.19 0.13 0.00 0.18 0.09 0.00 0.00 178.44 179.03 1y8y n LEU 175 N -3.60 2.21 0.00 1.67 4.77 0.59 -4.85 117.00 117.80 1y8y n LEU 175 Ca -0.02 -0.99 0.00 0.00 -0.03 0.00 0.00 56.01 54.97 1y8y n LEU 175 Cb 0.26 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1y8y n LEU 175 CO 0.30 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 1y8y n GLY 176 N 1.22 0.81 3.75 -0.72 0.00 -1.04 -0.80 105.19 108.41 1y8y n GLY 176 Ca 0.16 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 1y8y n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y8y h LYS 178 N 4.93 0.45 -4.86 0.00 3.64 -1.96 -3.42 116.57 115.34 1y8y h LYS 178 Ca -0.46 -0.76 -0.67 0.00 -1.27 0.00 0.00 60.65 57.49 1y8y h LYS 178 Cb 1.22 0.28 -0.25 0.00 -0.41 0.00 0.00 32.23 33.07 1y8y h LYS 178 CO 0.75 1.36 -0.63 0.71 -2.27 0.00 0.00 179.45 179.38 1y8y s TYR 179 N -2.54 3.11 0.32 1.91 2.02 -1.26 -5.08 117.35 115.84 1y8y s TYR 179 Ca -0.12 -0.79 0.10 0.00 -0.37 0.00 0.00 57.07 55.89 1y8y s TYR 179 Cb 0.03 -2.24 -0.06 0.00 -0.40 0.00 0.00 41.96 39.29 1y8y s TYR 179 CO 0.90 -0.51 -0.11 1.52 -1.57 0.00 0.00 175.55 175.78 1y8y s TYR 180 N 1.54 2.39 0.12 2.71 -0.85 -1.26 -5.08 117.35 116.92 1y8y s TYR 180 Ca 0.04 -0.44 0.01 0.00 -0.52 0.00 0.00 57.07 56.16 1y8y s TYR 180 Cb -0.16 -1.28 0.01 0.00 0.38 0.00 0.00 41.96 40.91 1y8y s TYR 180 CO 0.02 0.61 0.08 -1.13 -1.52 0.00 0.00 175.55 173.62 1y8y n SER 181 N -0.76 1.48 0.24 -0.18 3.41 -1.26 -4.98 113.62 111.57 1y8y n SER 181 Ca -0.05 -1.42 0.16 0.00 -0.26 0.00 0.00 58.87 57.30 1y8y n SER 181 Cb 0.62 0.00 0.85 0.00 -0.26 0.00 0.00 64.21 65.43 1y8y n SER 181 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1y8y h THR 182 N 0.59 0.00 0.00 6.66 1.35 -1.97 -2.16 112.91 117.38 1y8y h THR 182 Ca -0.08 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.78 1y8y h THR 182 Cb 0.28 0.69 -0.00 0.00 -1.73 0.00 0.00 68.15 67.39 1y8y h THR 182 CO 0.12 0.00 -0.02 0.00 -0.25 0.00 0.00 175.52 175.37 1y8y h ALA 183 N 1.96 1.05 0.00 6.62 0.00 -1.94 -1.13 119.26 125.82 1y8y h ALA 183 Ca 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1y8y h ALA 183 Cb 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1y8y h ALA 183 CO 0.00 0.02 -0.27 -0.39 0.00 0.00 0.00 179.25 178.61 1y8y h VAL 184 N 0.00 1.12 -0.17 0.00 -1.51 -1.78 -1.97 116.25 111.94 1y8y h VAL 184 Ca -0.00 -0.94 -0.19 0.00 -1.23 0.00 0.00 66.70 64.33 1y8y h VAL 184 Cb 0.26 1.52 0.00 0.00 -2.13 0.00 0.00 31.29 30.94 1y8y h VAL 184 CO 0.00 0.26 -0.67 0.44 -1.23 0.00 0.00 177.57 176.37 1y8y h ASP 185 N 0.00 0.76 -0.16 4.19 3.32 -1.41 -2.63 116.42 120.48 1y8y h ASP 185 Ca -0.00 -0.46 -0.01 0.00 0.02 0.00 0.00 57.03 56.58 1y8y h ASP 185 Cb 0.50 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1y8y h ASP 185 CO 0.03 1.23 0.06 0.40 -1.72 0.00 0.00 179.24 179.24 1y8y h ILE 186 N 0.47 1.16 -0.49 0.35 1.08 -1.53 0.16 117.51 118.72 1y8y h ILE 186 Ca -0.02 -0.49 0.10 0.00 -0.39 0.00 0.00 64.86 64.05 1y8y h ILE 186 Cb 1.26 1.19 -0.10 0.00 -3.07 0.00 0.00 36.82 36.10 1y8y h ILE 186 CO 0.13 0.15 -0.23 -0.25 -0.69 0.00 0.00 178.15 177.27 1y8y h TRP 187 N 0.11 -0.58 -0.28 1.37 2.91 -1.33 -0.41 115.95 117.74 1y8y h TRP 187 Ca 0.05 0.05 -0.01 0.00 1.13 0.00 0.00 58.89 60.12 1y8y h TRP 187 Cb 0.19 0.33 -0.01 0.00 -0.51 0.00 0.00 29.16 29.15 1y8y h TRP 187 CO -0.01 -0.31 0.14 0.77 -1.03 0.00 0.00 178.44 178.00 1y8y h SER 188 N -0.12 0.36 -0.60 2.65 0.02 -1.25 -0.55 113.55 114.06 1y8y h SER 188 Ca 0.23 -0.11 0.06 0.00 -0.84 0.00 0.00 61.79 61.12 1y8y h SER 188 Cb 0.47 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.89 1y8y h SER 188 CO -0.56 0.37 0.40 0.25 -1.14 0.00 0.00 176.83 176.14 1y8y h LEU 189 N 0.33 0.52 -0.26 5.07 5.85 -0.55 -1.60 115.31 124.67 1y8y h LEU 189 Ca 0.10 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 1y8y h LEU 189 Cb 0.10 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1y8y h LEU 189 CO -0.01 0.34 0.04 1.23 -0.34 0.00 0.00 178.44 179.70 1y8y h GLY 190 N 0.60 0.47 0.25 3.75 0.00 -0.35 0.52 103.07 108.31 1y8y h GLY 190 Ca 0.26 -0.32 0.17 0.00 0.00 0.00 0.00 47.33 47.44 1y8y h GLY 190 CO -0.07 0.30 0.62 0.00 0.00 0.00 0.00 176.54 177.38 1y8y h ILE 192 N 0.81 1.54 0.09 0.00 2.04 -0.56 -2.42 117.51 119.01 1y8y h ILE 192 Ca 0.55 -2.89 0.01 0.00 1.00 0.00 0.00 64.86 63.53 1y8y h ILE 192 Cb 0.80 2.66 -0.01 0.00 -0.74 0.00 0.00 36.82 39.52 1y8y h ILE 192 CO -0.33 0.84 -0.12 0.15 0.00 0.00 0.00 178.15 178.69 1y8y h PHE 193 N 0.08 -0.31 -0.61 1.37 3.57 -0.52 -0.05 116.94 120.47 1y8y h PHE 193 Ca -0.06 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.49 1y8y h PHE 193 Cb 1.67 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 40.50 1y8y h PHE 193 CO 0.03 -0.18 0.40 0.00 -2.23 0.00 0.00 178.31 176.33 1y8y h ALA 194 N 0.63 1.72 -0.15 2.41 0.00 -1.27 -1.51 119.26 121.09 1y8y h ALA 194 Ca 0.01 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1y8y h ALA 194 Cb 0.25 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1y8y h ALA 194 CO -0.05 0.20 -0.49 1.49 0.00 0.00 0.00 179.25 180.39 1y8y h GLU 195 N 0.67 0.60 -0.72 0.00 4.81 -0.89 0.12 114.58 119.18 1y8y h GLU 195 Ca 0.25 -0.44 0.02 0.00 -0.13 0.00 0.00 59.36 59.06 1y8y h GLU 195 Cb 0.15 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 1y8y h GLU 195 CO -0.07 1.07 0.46 0.52 -0.73 0.00 0.00 179.01 180.25 1y8y h MET 196 N 0.26 0.89 -0.02 1.92 2.86 -0.65 0.96 114.93 121.14 1y8y h MET 196 Ca -0.02 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1y8y h MET 196 Cb 1.12 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.58 1y8y h MET 196 CO 0.10 0.59 -0.07 0.28 1.06 0.00 0.00 176.91 178.87 1y8y h VAL 197 N 0.92 1.49 0.00 -2.22 2.07 -1.12 -3.33 116.25 114.05 1y8y h VAL 197 Ca 0.28 -1.54 0.00 0.00 0.82 0.00 0.00 66.70 66.26 1y8y h VAL 197 Cb -0.03 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1y8y h VAL 197 CO -0.09 0.41 0.00 0.71 0.02 0.00 0.00 177.57 178.62 1y8y h THR 198 N -0.51 0.00 -0.44 2.57 1.35 -0.70 -3.46 112.91 111.72 1y8y h THR 198 Ca -0.00 -0.89 -0.19 0.00 -0.55 0.00 0.00 66.41 64.78 1y8y h THR 198 Cb 0.71 1.89 -0.07 0.00 -1.73 0.00 0.00 68.15 68.94 1y8y h THR 198 CO 0.02 0.00 -0.17 0.54 -0.25 0.00 0.00 175.52 175.65 1y8y n ARG 199 N -2.97 -0.67 -3.86 4.72 1.74 0.32 -5.03 116.66 110.91 1y8y n ARG 199 Ca 0.04 0.82 -0.11 0.00 -0.77 0.00 0.00 57.85 57.82 1y8y n ARG 199 Cb 0.50 -4.71 -0.11 0.00 -1.02 0.00 0.00 32.46 27.12 1y8y n ARG 199 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1y8y s ARG 200 N -2.74 0.37 0.43 5.56 0.52 -1.21 -5.05 118.95 116.83 1y8y s ARG 200 Ca 0.00 -0.23 -0.26 0.00 -0.52 0.00 0.00 55.73 54.72 1y8y s ARG 200 Cb 0.00 0.16 -0.09 0.00 0.52 0.00 0.00 34.95 35.54 1y8y s ARG 200 CO 0.00 -0.08 1.42 0.00 0.02 0.00 0.00 175.30 176.66 1y8y s ALA 201 N -0.94 3.29 -0.02 2.13 0.00 -1.26 -4.18 121.76 120.79 1y8y s ALA 201 Ca -0.10 1.46 -0.24 0.00 0.00 0.00 0.00 51.96 53.07 1y8y s ALA 201 Cb -0.06 -3.58 -0.18 0.00 0.00 0.00 0.00 23.12 19.30 1y8y s ALA 201 CO 0.01 -1.13 1.16 1.25 0.00 0.00 0.00 175.76 177.05 1y8y h LEU 202 N 2.47 -0.14 -6.32 0.00 5.85 -1.90 -3.41 115.31 111.85 1y8y h LEU 202 Ca -0.51 -0.36 -0.59 0.00 0.84 0.00 0.00 57.88 57.26 1y8y h LEU 202 Cb 1.26 0.04 -0.40 0.00 0.37 0.00 0.00 40.66 41.92 1y8y h LEU 202 CO 0.62 0.32 -0.82 0.49 -0.34 0.00 0.00 178.44 178.71 1y8y n PHE 203 N -4.95 1.50 -1.24 1.25 3.72 -1.26 -5.03 117.46 111.45 1y8y n PHE 203 Ca -0.09 -3.85 -0.36 0.00 -0.05 0.00 0.00 57.45 53.11 1y8y n PHE 203 Cb 0.25 -0.36 -0.02 0.00 -0.94 0.00 0.00 39.48 38.41 1y8y n PHE 203 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1y8y n PRO 204 N 1.58 3.18 -2.42 -1.08 -0.04 -1.26 -4.37 135.00 130.59 1y8y n PRO 204 Ca 0.25 -2.09 -0.34 0.00 -0.04 0.00 0.00 63.50 61.29 1y8y n PRO 204 Cb 0.45 -2.80 -0.02 0.00 -0.04 0.00 0.00 33.50 31.09 1y8y n PRO 204 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1y8y s GLY 205 N 2.67 2.45 -0.08 0.55 0.00 -1.26 -4.96 107.32 106.68 1y8y s GLY 205 Ca 0.60 0.59 0.12 0.00 0.00 0.00 0.00 44.72 46.04 1y8y s GLY 205 CO -0.05 0.91 1.08 2.09 0.00 0.00 0.00 173.10 177.13 1y8y n ASP 206 N -1.20 1.97 -3.59 1.64 5.75 -1.26 -4.61 116.55 115.25 1y8y n ASP 206 Ca 0.09 -2.68 -0.05 0.00 -0.01 0.00 0.00 54.79 52.14 1y8y n ASP 206 Cb 0.52 -0.30 -0.00 0.00 -1.03 0.00 0.00 41.12 40.31 1y8y n ASP 206 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1y8y s SER 207 N -2.19 -0.15 0.26 -1.12 1.04 -1.26 -4.99 113.70 105.29 1y8y s SER 207 Ca 0.21 -0.64 -0.03 0.00 0.48 0.00 0.00 55.95 55.98 1y8y s SER 207 Cb 0.18 0.63 0.41 0.00 0.10 0.00 0.00 66.02 67.34 1y8y s SER 207 CO 0.02 -1.19 1.88 -0.33 0.98 0.00 0.00 173.24 174.59 1y8y h GLU 208 N 2.00 1.12 0.10 4.02 5.08 -1.99 0.17 114.58 125.08 1y8y h GLU 208 Ca -0.24 -0.07 -0.27 0.00 -1.00 0.00 0.00 59.36 57.78 1y8y h GLU 208 Cb 1.24 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 1y8y h GLU 208 CO 0.29 0.74 -1.24 0.97 -1.00 0.00 0.00 179.01 178.77 1y8y h ILE 209 N 1.16 1.49 -0.76 3.13 6.09 -1.97 -1.91 117.51 124.74 1y8y h ILE 209 Ca 0.43 -3.09 -0.04 0.00 -1.37 0.00 0.00 64.86 60.79 1y8y h ILE 209 Cb 0.18 2.90 -0.03 0.00 0.47 0.00 0.00 36.82 40.34 1y8y h ILE 209 CO -0.18 0.89 0.33 -0.78 -3.07 0.00 0.00 178.15 175.35 1y8y h ASP 210 N 0.06 1.00 0.43 2.19 3.58 -1.87 0.92 116.42 122.74 1y8y h ASP 210 Ca -0.13 -0.13 -0.02 0.00 0.42 0.00 0.00 57.03 57.17 1y8y h ASP 210 Cb 1.94 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 42.74 1y8y h ASP 210 CO 0.19 0.87 -0.21 -0.61 -2.88 0.00 0.00 179.24 176.60 1y8y h GLN 211 N 1.08 -0.56 -0.65 0.28 5.75 -0.45 0.77 115.11 121.33 1y8y h GLN 211 Ca 0.26 0.04 0.06 0.00 -0.15 0.00 0.00 58.65 58.85 1y8y h GLN 211 Cb 0.16 0.13 -0.05 0.00 1.07 0.00 0.00 27.48 28.78 1y8y h GLN 211 CO -0.03 -0.32 0.36 -0.07 -2.65 0.00 0.00 178.83 176.12 1y8y h LEU 212 N -0.69 0.53 -1.11 -2.39 -0.00 -1.24 -1.53 115.31 108.88 1y8y h LEU 212 Ca -0.06 0.03 -0.07 0.00 -0.00 0.00 0.00 57.88 57.78 1y8y h LEU 212 Cb 0.50 -0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 41.08 1y8y h LEU 212 CO 0.10 0.34 -0.10 -0.26 -0.00 0.00 0.00 178.44 178.52 1y8y h PHE 213 N 0.66 0.55 -0.35 1.13 -1.00 -0.67 0.73 116.94 117.99 1y8y h PHE 213 Ca 0.29 -0.08 -0.07 0.00 2.81 0.00 0.00 57.97 60.93 1y8y h PHE 213 Cb 0.19 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 39.58 1y8y h PHE 213 CO -0.08 0.60 -0.04 0.00 -1.61 0.00 0.00 178.31 177.18 1y8y h ARG 214 N 0.48 0.65 -0.36 1.51 3.08 -0.35 -0.60 114.38 118.78 1y8y h ARG 214 Ca 0.09 -0.23 0.07 0.00 0.07 0.00 0.00 59.98 59.98 1y8y h ARG 214 Cb 0.46 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.40 1y8y h ARG 214 CO 0.03 0.79 -0.04 0.82 -1.07 0.00 0.00 179.97 180.50 1y8y h ILE 215 N 0.45 0.69 -0.72 2.04 2.04 -0.69 -2.76 117.51 118.56 1y8y h ILE 215 Ca 0.10 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.91 1y8y h ILE 215 Cb 0.52 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 1y8y h ILE 215 CO 0.03 0.01 0.34 -0.26 0.00 0.00 0.00 178.15 178.27 1y8y h PHE 216 N 0.06 1.05 -0.91 1.37 -1.00 -0.70 0.23 116.94 117.03 1y8y h PHE 216 Ca 0.18 -0.05 0.01 0.00 2.81 0.00 0.00 57.97 60.91 1y8y h PHE 216 Cb 0.26 -0.32 -0.05 0.00 3.61 0.00 0.00 35.95 39.45 1y8y h PHE 216 CO -0.28 0.78 0.60 0.00 -1.61 0.00 0.00 178.31 177.80 1y8y h ARG 217 N 1.01 1.19 0.12 1.51 3.08 -0.86 0.22 114.38 120.66 1y8y h ARG 217 Ca 0.25 -0.07 -0.16 0.00 0.07 0.00 0.00 59.98 60.06 1y8y h ARG 217 Cb 0.13 -0.27 0.02 0.00 0.08 0.00 0.00 29.97 29.93 1y8y h ARG 217 CO -0.03 0.79 -0.72 1.15 -1.07 0.00 0.00 179.97 180.09 1y8y h THR 218 N 1.23 1.54 -0.14 2.04 2.02 -1.22 -3.40 112.91 114.98 1y8y h THR 218 Ca 0.33 -2.50 0.00 0.00 0.77 0.00 0.00 66.41 65.01 1y8y h THR 218 Cb -0.14 3.20 0.00 0.00 -1.74 0.00 0.00 68.15 69.48 1y8y h THR 218 CO -0.07 0.70 0.00 0.18 0.37 0.00 0.00 175.52 176.70 1y8y n LEU 219 N -4.18 2.99 0.00 2.58 4.77 0.79 -1.90 117.00 122.05 1y8y n LEU 219 Ca -0.13 -1.18 0.00 0.00 -0.03 0.00 0.00 56.01 54.67 1y8y n LEU 219 Cb 0.78 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.79 1y8y n LEU 219 CO 0.47 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.70 1y8y n GLY 220 N 1.27 -0.84 3.70 -0.72 0.00 0.78 -4.48 105.19 104.90 1y8y n GLY 220 Ca 0.14 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 1y8y n GLY 220 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1y8y s THR 221 N -1.58 2.72 0.49 2.61 2.01 -0.63 -4.56 115.64 116.70 1y8y s THR 221 Ca 0.00 0.38 -0.22 0.00 0.31 0.00 0.00 61.69 62.16 1y8y s THR 221 Cb 0.00 -3.24 -0.07 0.00 0.01 0.00 0.00 72.50 69.20 1y8y s THR 221 CO 0.00 0.01 1.17 -2.16 -0.69 0.00 0.00 174.62 172.95 1y8y s PRO 222 N 1.88 3.61 0.33 4.92 0.04 -1.26 -4.88 135.00 139.64 1y8y s PRO 222 Ca 0.73 1.76 0.06 0.00 0.04 0.00 0.00 61.00 63.59 1y8y s PRO 222 Cb -0.43 -2.29 -0.02 0.00 0.04 0.00 0.00 34.50 31.80 1y8y s PRO 222 CO 0.32 -0.67 0.32 -0.40 0.04 0.00 0.00 177.00 176.61 1y8y n ASP 223 N -0.74 -0.83 0.29 6.66 5.68 -1.26 -4.99 116.55 121.37 1y8y n ASP 223 Ca 0.09 -3.14 0.15 0.00 -0.50 0.00 0.00 54.79 51.39 1y8y n ASP 223 Cb 0.49 1.83 0.90 0.00 -1.14 0.00 0.00 41.12 43.20 1y8y n ASP 223 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1y8y h GLU 224 N 0.00 0.00 0.35 0.11 4.39 -1.97 -1.02 114.58 116.43 1y8y h GLU 224 Ca -0.24 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.44 1y8y h GLU 224 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1y8y h GLU 224 CO 0.35 0.02 -0.17 0.28 -1.16 0.00 0.00 179.01 178.33 1y8y h VAL 225 N 0.00 0.60 0.00 3.13 2.07 -1.99 -2.99 116.25 117.07 1y8y h VAL 225 Ca -0.00 -0.59 -0.08 0.00 0.82 0.00 0.00 66.70 66.85 1y8y h VAL 225 Cb 0.06 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1y8y h VAL 225 CO 0.00 0.10 -0.38 -0.37 0.02 0.00 0.00 177.57 176.94 1y8y h VAL 226 N -0.83 0.72 -1.89 2.57 -1.51 -1.94 -3.41 116.25 109.96 1y8y h VAL 226 Ca -0.05 -1.79 -0.43 0.00 -1.23 0.00 0.00 66.70 63.20 1y8y h VAL 226 Cb 0.53 2.18 -0.30 0.00 -2.13 0.00 0.00 31.29 31.57 1y8y h VAL 226 CO 0.08 0.38 -0.80 0.86 -1.23 0.00 0.00 177.57 176.85 1y8y s TRP 227 N -3.21 0.12 0.12 5.19 -0.11 -0.40 -4.39 118.94 116.26 1y8y s TRP 227 Ca 0.03 -1.68 -0.35 0.00 1.22 0.00 0.00 56.10 55.32 1y8y s TRP 227 Cb 0.08 -0.48 -0.15 0.00 -1.50 0.00 0.00 33.47 31.43 1y8y s TRP 227 CO 0.71 -0.99 1.51 -2.30 -4.62 0.00 0.00 176.95 171.26 1y8y n PRO 228 N 2.93 1.81 0.00 5.86 -0.02 -1.13 -1.78 135.00 142.67 1y8y n PRO 228 Ca 0.25 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 1y8y n PRO 228 Cb 0.51 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1y8y n PRO 228 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1y8y n GLY 229 N 3.17 2.13 0.33 -1.23 0.00 -1.26 -4.98 105.19 103.36 1y8y n GLY 229 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 1y8y n GLY 229 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1y8y h VAL 230 N 0.00 1.14 0.00 1.61 3.04 -1.66 -2.29 116.25 118.09 1y8y h VAL 230 Ca 0.00 -0.38 0.00 0.00 -1.01 0.00 0.00 66.70 65.31 1y8y h VAL 230 Cb 0.00 -0.06 0.00 0.00 -2.01 0.00 0.00 31.29 29.22 1y8y h VAL 230 CO 0.00 0.20 0.00 0.35 -1.01 0.00 0.00 177.57 177.11 1y8y n THR 231 N -4.53 0.96 0.30 3.17 -2.24 -1.26 -1.38 114.28 109.30 1y8y n THR 231 Ca 0.11 0.33 0.10 0.00 -2.27 0.00 0.00 64.05 62.32 1y8y n THR 231 Cb 0.09 -1.25 0.26 0.00 -2.10 0.00 0.00 70.33 67.33 1y8y n THR 231 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1y8y n SER 232 N -2.07 3.01 -4.83 3.42 7.64 -0.86 -4.87 113.62 115.06 1y8y n SER 232 Ca 0.02 -1.97 -0.33 0.00 1.01 0.00 0.00 58.87 57.60 1y8y n SER 232 Cb 0.17 -0.33 -0.06 0.00 -1.01 0.00 0.00 64.21 62.98 1y8y n SER 232 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1y8y s MET 233 N -1.33 4.12 0.24 1.43 -1.94 -0.48 -4.96 119.30 116.38 1y8y s MET 233 Ca 0.38 0.95 -0.07 0.00 -1.71 0.00 0.00 55.69 55.23 1y8y s MET 233 Cb 0.20 -2.26 0.41 0.00 2.01 0.00 0.00 34.83 35.19 1y8y s MET 233 CO 0.27 0.00 1.65 -1.35 -0.01 0.00 0.00 175.02 175.59 1y8y h PRO 234 N 1.89 0.13 -0.41 2.03 0.11 -1.80 -2.13 132.00 131.82 1y8y h PRO 234 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1y8y h PRO 234 Cb 1.18 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1y8y h PRO 234 CO 0.62 0.09 0.00 -0.25 -0.21 0.00 0.00 178.00 178.25 1y8y n ASP 235 N -5.29 4.77 -4.76 -2.05 8.00 0.02 -4.95 116.55 112.30 1y8y n ASP 235 Ca 0.13 -2.98 -0.40 0.00 0.71 0.00 0.00 54.79 52.25 1y8y n ASP 235 Cb 0.44 -0.61 -0.06 0.00 -0.02 0.00 0.00 41.12 40.87 1y8y n ASP 235 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1y8y s TYR 236 N -2.80 3.94 -0.06 1.24 5.04 -0.80 -4.93 117.35 118.97 1y8y s TYR 236 Ca 0.48 1.85 0.04 0.00 -2.44 0.00 0.00 57.07 56.99 1y8y s TYR 236 Cb 0.38 -2.93 0.00 0.00 0.35 0.00 0.00 41.96 39.76 1y8y s TYR 236 CO 0.12 0.44 -0.17 0.15 -1.34 0.00 0.00 175.55 174.76 1y8y s LYS 237 N -1.27 1.94 0.55 4.97 -0.14 -1.26 -4.90 119.74 119.63 1y8y s LYS 237 Ca 0.41 -0.59 0.29 0.00 -1.36 0.00 0.00 55.97 54.72 1y8y s LYS 237 Cb -0.25 -1.62 1.46 0.00 -1.68 0.00 0.00 37.83 35.75 1y8y s LYS 237 CO 0.30 0.17 1.93 -1.35 -0.76 0.00 0.00 175.35 175.64 1y8y h PRO 238 N 6.53 0.00 0.00 -1.68 0.11 -1.96 -2.33 132.00 132.68 1y8y h PRO 238 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1y8y h PRO 238 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1y8y h PRO 238 CO 0.48 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.14 1y8y n SER 239 N -4.14 0.00 -4.76 -2.05 3.41 -1.26 -4.87 113.62 99.95 1y8y n SER 239 Ca 0.13 -1.62 -0.41 0.00 -0.26 0.00 0.00 58.87 56.70 1y8y n SER 239 Cb 0.76 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.70 1y8y n SER 239 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1y8y n PHE 240 N -0.64 2.92 -1.59 7.33 3.72 -0.88 -4.95 117.46 123.38 1y8y n PHE 240 Ca 0.06 0.33 -0.38 0.00 -0.05 0.00 0.00 57.45 57.41 1y8y n PHE 240 Cb 0.03 -2.57 0.04 0.00 -0.94 0.00 0.00 39.48 36.04 1y8y n PHE 240 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1y8y n PRO 241 N 1.48 0.89 -3.54 -1.08 -0.02 -1.26 -4.93 135.00 126.53 1y8y n PRO 241 Ca 0.06 0.34 -0.41 0.00 -2.02 0.00 0.00 63.50 61.47 1y8y n PRO 241 Cb 0.38 -2.07 -0.08 0.00 -0.02 0.00 0.00 33.50 31.71 1y8y n PRO 241 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1y8y s LYS 242 N -2.54 2.69 0.16 -0.52 -0.14 -1.26 -4.79 119.74 113.33 1y8y s LYS 242 Ca 0.73 -2.03 -0.11 0.00 -1.36 0.00 0.00 55.97 53.20 1y8y s LYS 242 Cb -0.44 -3.98 -0.07 0.00 -1.68 0.00 0.00 37.83 31.66 1y8y s LYS 242 CO 0.50 -1.21 0.50 -1.58 -0.76 0.00 0.00 175.35 172.79 1y8y s TRP 243 N 0.89 3.52 0.20 3.18 0.51 -1.26 -4.94 118.94 121.03 1y8y s TRP 243 Ca 0.10 0.88 -0.21 0.00 -2.12 0.00 0.00 56.10 54.75 1y8y s TRP 243 Cb -0.22 -2.24 -0.08 0.00 -0.81 0.00 0.00 33.47 30.11 1y8y s TRP 243 CO -0.03 0.39 0.72 0.00 -0.51 0.00 0.00 176.95 177.53 1y8y s ALA 244 N -1.60 3.44 0.62 0.98 0.00 -1.26 -1.61 121.76 122.33 1y8y s ALA 244 Ca 0.40 0.20 -0.19 0.00 0.00 0.00 0.00 51.96 52.37 1y8y s ALA 244 Cb -0.13 -2.83 -0.02 0.00 0.00 0.00 0.00 23.12 20.13 1y8y s ALA 244 CO 0.20 0.33 1.30 0.50 0.00 0.00 0.00 175.76 178.09 1y8y s ARG 245 N -1.72 2.75 0.31 0.00 3.52 -1.26 -4.15 118.95 118.40 1y8y s ARG 245 Ca 0.40 2.08 0.07 0.00 -0.13 0.00 0.00 55.73 58.15 1y8y s ARG 245 Cb -0.18 -1.96 -0.03 0.00 -1.56 0.00 0.00 34.95 31.23 1y8y s ARG 245 CO 0.22 -1.45 0.31 -0.65 -0.81 0.00 0.00 175.30 172.92 1y8y s GLN 246 N -3.26 2.90 0.37 5.12 -0.21 -0.80 -4.87 119.66 118.92 1y8y s GLN 246 Ca 0.79 -1.14 -0.20 0.00 0.02 0.00 0.00 55.36 54.84 1y8y s GLN 246 Cb -0.37 -2.59 -0.10 0.00 1.00 0.00 0.00 33.01 30.94 1y8y s GLN 246 CO 0.41 0.19 0.87 -0.51 -2.12 0.00 0.00 175.29 174.13 1y8y s ASP 247 N -3.99 6.94 0.52 5.90 1.01 -1.26 -4.91 116.67 120.88 1y8y s ASP 247 Ca 0.39 1.56 0.30 0.00 0.71 0.00 0.00 52.55 55.51 1y8y s ASP 247 Cb -0.07 -2.48 1.32 0.00 1.01 0.00 0.00 42.92 42.69 1y8y s ASP 247 CO 0.27 -0.25 1.98 -0.26 0.21 0.00 0.00 175.17 177.12 1y8y h PHE 248 N 2.27 0.00 -0.15 4.23 -1.00 -1.97 0.33 116.94 120.65 1y8y h PHE 248 Ca -0.48 0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.34 1y8y h PHE 248 Cb 1.18 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.73 1y8y h PHE 248 CO 0.62 0.11 0.11 0.66 -1.61 0.00 0.00 178.31 178.20 1y8y h SER 249 N 0.00 0.00 0.68 2.17 4.64 -1.94 -2.04 113.55 117.06 1y8y h SER 249 Ca -0.00 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.05 1y8y h SER 249 Cb 0.51 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.57 1y8y h SER 249 CO 0.01 0.00 -1.37 0.50 -0.87 0.00 0.00 176.83 175.10 1y8y h LYS 250 N 0.00 0.08 -0.00 4.77 3.64 -1.31 -3.35 116.57 120.40 1y8y h LYS 250 Ca 0.07 -0.14 -0.16 0.00 -1.27 0.00 0.00 60.65 59.15 1y8y h LYS 250 Cb 0.30 0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1y8y h LYS 250 CO -0.00 0.90 -0.63 0.28 -2.27 0.00 0.00 179.45 177.72 1y8y h VAL 251 N 0.02 1.42 -1.42 2.00 2.07 -1.31 -3.40 116.25 115.63 1y8y h VAL 251 Ca -0.16 -2.09 -0.48 0.00 0.82 0.00 0.00 66.70 64.79 1y8y h VAL 251 Cb 1.92 2.58 -0.41 0.00 -1.52 0.00 0.00 31.29 33.86 1y8y h VAL 251 CO 0.13 0.61 -0.97 1.33 0.02 0.00 0.00 177.57 178.69 1y8y n VAL 252 N -4.19 1.60 -2.29 2.57 0.24 -0.81 -4.96 118.33 110.49 1y8y n VAL 252 Ca -0.10 -4.16 -0.36 0.00 -2.04 0.00 0.00 64.34 57.68 1y8y n VAL 252 Cb 0.69 -0.36 -0.01 0.00 -1.47 0.00 0.00 33.84 32.69 1y8y n VAL 252 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1y8y s PRO 253 N -3.25 3.55 -0.74 7.34 0.04 -1.26 0.10 135.00 140.80 1y8y s PRO 253 Ca 0.38 1.65 -0.02 0.00 0.04 0.00 0.00 61.00 63.06 1y8y s PRO 253 Cb 0.41 -2.17 0.41 0.00 0.04 0.00 0.00 34.50 33.19 1y8y s PRO 253 CO -0.08 -0.69 2.01 -0.35 0.04 0.00 0.00 177.00 177.93 1y8y n PRO 254 N -0.95 2.74 -1.84 0.56 -0.04 -1.26 -4.71 135.00 129.50 1y8y n PRO 254 Ca 0.10 -3.41 -0.41 0.00 -0.04 0.00 0.00 63.50 59.74 1y8y n PRO 254 Cb 0.50 -2.28 -0.00 0.00 -0.04 0.00 0.00 33.50 31.67 1y8y n PRO 254 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1y8y s LEU 255 N -3.93 4.33 1.03 1.53 2.96 0.12 -4.98 118.68 119.74 1y8y s LEU 255 Ca 0.59 3.00 -0.15 0.00 -0.22 0.00 0.00 54.13 57.35 1y8y s LEU 255 Cb 0.48 -3.66 0.20 0.00 0.50 0.00 0.00 46.19 43.71 1y8y s LEU 255 CO -0.18 -0.84 1.14 1.51 -1.32 0.00 0.00 176.35 176.66 1y8y s ASP 256 N -0.14 2.45 0.24 3.68 1.47 -1.26 -4.70 116.67 118.41 1y8y s ASP 256 Ca 0.53 0.85 -0.05 0.00 1.18 0.00 0.00 52.55 55.06 1y8y s ASP 256 Cb -0.46 -1.31 0.38 0.00 -0.34 0.00 0.00 42.92 41.19 1y8y s ASP 256 CO 0.61 -3.20 1.80 -0.08 0.68 0.00 0.00 175.17 174.98 1y8y h GLU 257 N -1.95 0.72 -0.18 2.11 4.57 -1.99 0.11 114.58 117.98 1y8y h GLU 257 Ca -0.50 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 57.63 1y8y h GLU 257 Cb 1.31 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.73 1y8y h GLU 257 CO 0.51 0.48 0.08 -0.44 -1.18 0.00 0.00 179.01 178.45 1y8y h ASP 258 N 0.74 0.25 -0.30 1.04 3.32 -1.97 -0.34 116.42 119.16 1y8y h ASP 258 Ca 0.38 -0.15 0.04 0.00 0.02 0.00 0.00 57.03 57.32 1y8y h ASP 258 Cb 0.36 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.81 1y8y h ASP 258 CO -0.25 0.33 0.06 1.23 -1.72 0.00 0.00 179.24 178.90 1y8y h GLY 259 N 0.15 0.34 1.03 2.75 0.00 -1.79 0.95 103.07 106.50 1y8y h GLY 259 Ca 0.06 -0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.32 1y8y h GLY 259 CO -0.01 -0.01 0.23 3.21 0.00 0.00 0.00 176.54 179.96 1y8y h ARG 260 N 0.17 1.06 -0.08 4.80 3.08 -0.78 -0.77 114.38 121.87 1y8y h ARG 260 Ca 0.14 -0.22 0.03 0.00 0.07 0.00 0.00 59.98 60.00 1y8y h ARG 260 Cb 0.15 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 1y8y h ARG 260 CO -0.18 0.91 -0.12 1.03 -1.07 0.00 0.00 179.97 180.54 1y8y h SER 261 N 1.00 -0.37 0.32 7.04 0.87 -0.83 -1.49 113.55 120.09 1y8y h SER 261 Ca 0.22 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.84 1y8y h SER 261 Cb 0.28 0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 1y8y h SER 261 CO -0.01 -0.17 -0.22 0.25 -0.53 0.00 0.00 176.83 176.16 1y8y h LEU 262 N -0.17 -0.55 -0.64 2.23 6.46 -0.60 -2.53 115.31 119.52 1y8y h LEU 262 Ca 0.07 0.04 0.13 0.00 -0.12 0.00 0.00 57.88 58.00 1y8y h LEU 262 Cb 0.27 0.17 -0.10 0.00 -0.73 0.00 0.00 40.66 40.26 1y8y h LEU 262 CO -0.18 -0.34 0.04 0.25 -0.62 0.00 0.00 178.44 177.59 1y8y h LEU 263 N -0.53 -0.21 -0.57 2.25 5.85 -1.16 -1.12 115.31 119.82 1y8y h LEU 263 Ca -0.03 0.15 0.12 0.00 0.84 0.00 0.00 57.88 58.96 1y8y h LEU 263 Cb 0.45 0.25 -0.09 0.00 0.37 0.00 0.00 40.66 41.64 1y8y h LEU 263 CO 0.02 -0.10 0.02 -1.28 -0.34 0.00 0.00 178.44 176.76 1y8y h SER 264 N 0.15 -0.20 1.03 1.25 0.87 -1.17 -0.16 113.55 115.31 1y8y h SER 264 Ca 0.34 0.13 -0.06 0.00 -1.23 0.00 0.00 61.79 60.98 1y8y h SER 264 Cb 0.56 0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.74 1y8y h SER 264 CO -0.52 -0.08 -0.28 1.56 -0.53 0.00 0.00 176.83 176.98 1y8y h GLN 265 N 0.14 0.00 0.00 2.24 4.20 -0.87 -2.17 115.11 118.65 1y8y h GLN 265 Ca 0.30 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.97 1y8y h GLN 265 Cb 0.47 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 1y8y h GLN 265 CO -0.47 0.28 -0.18 0.52 -0.67 0.00 0.00 178.83 178.31 1y8y h MET 266 N 0.00 0.00 -0.50 1.46 2.86 -0.52 -1.20 114.93 117.02 1y8y h MET 266 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1y8y h MET 266 Cb 0.87 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.53 1y8y h MET 266 CO 0.04 0.18 0.00 1.28 1.06 0.00 0.00 176.91 179.47 1y8y n LEU 267 N -3.18 4.20 -4.70 1.22 4.77 -0.14 -3.68 117.00 115.48 1y8y n LEU 267 Ca 0.02 -2.47 -0.42 0.00 -0.03 0.00 0.00 56.01 53.11 1y8y n LEU 267 Cb 0.55 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 41.13 1y8y n LEU 267 CO 0.35 0.77 0.92 1.41 -1.33 0.00 0.00 177.39 179.51 1y8y n HIS 268 N 0.66 2.33 0.01 -1.77 8.25 -0.85 -4.93 115.22 118.92 1y8y n HIS 268 Ca 0.22 0.54 -0.13 0.00 -0.26 0.00 0.00 57.72 58.10 1y8y n HIS 268 Cb 0.79 -2.42 -0.09 0.00 1.12 0.00 0.00 29.99 29.39 1y8y n HIS 268 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 1y8y h TYR 269 N 2.62 -0.01 -2.91 4.41 0.05 -1.92 -3.42 116.97 115.80 1y8y h TYR 269 Ca -0.46 -0.00 -0.57 0.00 0.05 0.00 0.00 58.73 57.75 1y8y h TYR 269 Cb 1.28 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.99 1y8y h TYR 269 CO 0.51 0.27 1.06 0.34 -1.05 0.00 0.00 178.16 179.28 1y8y s ASP 270 N -5.46 6.52 0.52 3.88 -1.08 -1.26 -4.83 116.67 114.95 1y8y s ASP 270 Ca -0.15 1.49 0.24 0.00 -0.52 0.00 0.00 52.55 53.61 1y8y s ASP 270 Cb 0.03 -2.54 1.40 0.00 -1.46 0.00 0.00 42.92 40.36 1y8y s ASP 270 CO 0.67 -1.16 2.09 -0.65 0.52 0.00 0.00 175.17 176.64 1y8y h PRO 271 N 10.04 0.00 0.00 4.34 0.11 -1.95 -0.57 132.00 143.98 1y8y h PRO 271 Ca -0.31 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.71 1y8y h PRO 271 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1y8y h PRO 271 CO 1.01 0.11 -0.42 -0.97 -0.21 0.00 0.00 178.00 177.52 1y8y h ASN 272 N 0.00 0.00 0.74 -2.05 -1.24 -1.96 -3.16 115.58 107.91 1y8y h ASN 272 Ca -0.00 0.00 -0.14 0.00 0.71 0.00 0.00 56.30 56.87 1y8y h ASN 272 Cb 0.25 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.28 1y8y h ASN 272 CO 0.01 0.42 -1.36 0.29 -1.29 0.00 0.00 177.43 175.50 1y8y n LYS 273 N -3.97 0.62 -1.66 6.67 5.02 -0.34 -4.92 118.16 119.57 1y8y n LYS 273 Ca -0.02 0.20 -0.47 0.00 -2.02 0.00 0.00 58.31 56.01 1y8y n LYS 273 Cb 0.46 -1.81 -0.04 0.00 -0.02 0.00 0.00 35.03 33.62 1y8y n LYS 273 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1y8y n ARG 274 N -2.85 2.04 -1.61 1.97 0.63 -0.49 -4.91 116.66 111.44 1y8y n ARG 274 Ca -0.08 0.74 -0.44 0.00 -0.92 0.00 0.00 57.85 57.14 1y8y n ARG 274 Cb 0.79 -2.49 -0.01 0.00 0.45 0.00 0.00 32.46 31.20 1y8y n ARG 274 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 1y8y n ILE 275 N 3.28 2.00 -1.79 5.15 3.06 -0.45 -5.00 119.36 125.61 1y8y n ILE 275 Ca 0.17 -0.50 -0.29 0.00 -2.50 0.00 0.00 62.75 59.63 1y8y n ILE 275 Cb 0.28 -1.09 0.13 0.00 0.54 0.00 0.00 39.64 39.50 1y8y n ILE 275 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 1y8y s SER 276 N -0.52 3.75 0.08 9.51 1.04 -1.26 -4.88 113.70 121.41 1y8y s SER 276 Ca 0.58 0.68 -0.16 0.00 0.48 0.00 0.00 55.95 57.53 1y8y s SER 276 Cb -0.68 -1.06 -0.12 0.00 0.10 0.00 0.00 66.02 64.26 1y8y s SER 276 CO 0.60 -2.37 1.36 0.00 0.98 0.00 0.00 173.24 173.81 1y8y h ALA 277 N -1.38 0.33 0.05 5.32 0.00 -1.94 -0.38 119.26 121.27 1y8y h ALA 277 Ca -0.47 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 54.06 1y8y h ALA 277 Cb 1.30 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 1y8y h ALA 277 CO 0.56 0.37 -0.39 -0.22 0.00 0.00 0.00 179.25 179.57 1y8y h LYS 278 N 0.29 -0.56 -0.72 0.00 3.64 -1.92 -1.65 116.57 115.65 1y8y h LYS 278 Ca 0.02 0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1y8y h LYS 278 Cb 0.90 0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.81 1y8y h LYS 278 CO 0.07 -0.37 0.48 0.00 -2.27 0.00 0.00 179.45 177.36 1y8y h ALA 279 N -0.01 1.50 -0.78 5.00 0.00 -1.94 -2.63 119.26 120.39 1y8y h ALA 279 Ca 0.04 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1y8y h ALA 279 Cb 0.64 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1y8y h ALA 279 CO -0.27 0.46 0.52 0.00 0.00 0.00 0.00 179.25 179.96 1y8y h ALA 280 N 1.55 1.53 0.00 0.00 0.00 -0.35 -1.79 119.26 120.21 1y8y h ALA 280 Ca 0.27 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1y8y h ALA 280 Cb -0.09 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 1y8y h ALA 280 CO -0.06 0.39 -0.13 -0.07 0.00 0.00 0.00 179.25 179.38 1y8y h LEU 281 N 0.96 0.00 -0.27 0.00 3.38 -0.93 -0.70 115.31 117.75 1y8y h LEU 281 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1y8y h LEU 281 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1y8y h LEU 281 CO -0.09 0.13 -0.16 0.00 0.09 0.00 0.00 178.44 178.41 1y8y n ALA 282 N -2.31 2.85 -1.76 1.53 0.00 -0.68 -4.83 120.51 115.31 1y8y n ALA 282 Ca -0.02 -0.30 -0.39 0.00 0.00 0.00 0.00 53.44 52.73 1y8y n ALA 282 Cb 0.24 -1.28 0.03 0.00 0.00 0.00 0.00 19.45 18.44 1y8y n ALA 282 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1y8y n HIS 283 N -0.93 2.58 0.30 0.00 -0.00 -0.27 -4.85 115.22 112.05 1y8y n HIS 283 Ca 0.13 0.43 0.14 0.00 -0.00 0.00 0.00 57.72 58.42 1y8y n HIS 283 Cb 0.30 -2.43 0.73 0.00 -0.00 0.00 0.00 29.99 28.59 1y8y n HIS 283 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1y8y h PRO 284 N 1.95 0.00 0.00 1.57 0.11 -1.93 -1.33 132.00 132.37 1y8y h PRO 284 Ca -0.51 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1y8y h PRO 284 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 1y8y h PRO 284 CO 0.59 0.00 -0.05 0.35 -0.21 0.00 0.00 178.00 178.68 1y8y h PHE 285 N 0.00 0.00 -0.30 0.65 3.57 -1.89 -1.54 116.94 117.43 1y8y h PHE 285 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1y8y h PHE 285 Cb 0.64 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.38 1y8y h PHE 285 CO 0.00 0.05 0.00 1.19 -2.23 0.00 0.00 178.31 177.32 1y8y n PHE 286 N -4.18 0.39 -0.20 0.41 3.72 -0.50 -4.41 117.46 112.68 1y8y n PHE 286 Ca -0.03 -0.19 0.01 0.00 -0.05 0.00 0.00 57.45 57.19 1y8y n PHE 286 Cb 0.14 0.00 0.26 0.00 -0.94 0.00 0.00 39.48 38.94 1y8y n PHE 286 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 1y8y h GLN 287 N 3.26 0.95 -0.95 -1.08 1.08 -1.42 -1.89 115.11 115.06 1y8y h GLN 287 Ca 0.00 -0.06 -0.55 0.00 -1.45 0.00 0.00 58.65 56.59 1y8y h GLN 287 Cb 0.72 -0.21 -0.29 0.00 -0.05 0.00 0.00 27.48 27.64 1y8y h GLN 287 CO 0.00 0.63 0.65 -0.40 -0.95 0.00 0.00 178.83 178.76 1y8y n ASP 288 N -4.43 4.99 -4.77 1.46 5.75 -1.26 -5.04 116.55 113.25 1y8y n ASP 288 Ca 0.08 -3.68 -0.37 0.00 -0.01 0.00 0.00 54.79 50.81 1y8y n ASP 288 Cb 0.04 -0.86 -0.02 0.00 -1.03 0.00 0.00 41.12 39.25 1y8y n ASP 288 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1y8y s VAL 289 N -3.83 3.27 0.25 2.12 0.11 -0.71 -5.05 120.40 116.56 1y8y s VAL 289 Ca 0.59 0.94 0.01 0.00 -2.93 0.00 0.00 61.98 60.59 1y8y s VAL 289 Cb 0.48 -3.47 -0.03 0.00 -1.53 0.00 0.00 36.38 31.83 1y8y s VAL 289 CO 0.06 -0.02 0.23 0.42 -3.33 0.00 0.00 175.10 172.46 1y8y s THR 290 N -1.60 0.00 -0.75 5.04 -4.23 -1.26 -5.09 115.64 107.76 1y8y s THR 290 Ca 0.63 -1.93 0.04 0.00 -1.18 0.00 0.00 61.69 59.25 1y8y s THR 290 Cb -0.26 -2.49 0.18 0.00 1.34 0.00 0.00 72.50 71.27 1y8y s THR 290 CO 0.32 0.00 0.56 1.17 -0.54 0.00 0.00 174.62 176.13 1y8y n LYS 291 N -0.41 2.00 -2.20 3.99 4.81 -1.26 -4.27 118.16 120.82 1y8y n LYS 291 Ca 0.03 -4.50 -0.35 0.00 -0.87 0.00 0.00 58.31 52.63 1y8y n LYS 291 Cb 0.64 -2.31 0.01 0.00 0.02 0.00 0.00 35.03 33.39 1y8y n LYS 291 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1y8y s PRO 292 N -1.48 3.27 -0.08 1.64 0.02 -1.26 -4.99 135.00 132.12 1y8y s PRO 292 Ca 0.26 1.64 -0.24 0.00 0.02 0.00 0.00 61.00 62.68 1y8y s PRO 292 Cb -0.04 -1.99 -0.03 0.00 0.02 0.00 0.00 34.50 32.45 1y8y s PRO 292 CO -0.16 -0.92 0.72 0.14 -0.33 0.00 0.00 177.00 176.45 1y8y s VAL 293 N -1.76 5.02 0.20 3.83 -7.23 -1.26 -4.49 120.40 114.71 1y8y s VAL 293 Ca 0.73 1.47 -0.30 0.00 -1.81 0.00 0.00 61.98 62.07 1y8y s VAL 293 Cb -0.25 -4.05 -0.08 0.00 0.56 0.00 0.00 36.38 32.56 1y8y s VAL 293 CO 0.28 0.21 0.99 -2.16 -0.31 0.00 0.00 175.10 174.12 1y8y s PRO 294 N 1.03 4.74 -0.04 4.82 0.04 -1.26 -5.00 135.00 139.34 1y8y s PRO 294 Ca 0.37 1.56 -0.30 0.00 0.04 0.00 0.00 61.00 62.67 1y8y s PRO 294 Cb -0.18 -3.29 -0.05 0.00 0.04 0.00 0.00 34.50 31.02 1y8y s PRO 294 CO 0.17 0.32 1.45 -1.58 0.04 0.00 0.00 177.00 177.41 1y8y s HIS 295 N -0.71 2.61 0.03 0.56 5.65 -1.26 -4.86 115.29 117.31 1y8y s HIS 295 Ca 0.44 0.67 0.06 0.00 0.25 0.00 0.00 55.06 56.48 1y8y s HIS 295 Cb -0.27 -3.71 -0.03 0.00 -1.18 0.00 0.00 32.58 27.39 1y8y s HIS 295 CO 0.33 -2.74 -0.15 -0.51 -0.65 0.00 0.00 174.74 171.02 1y8y s LEU 296 N 3.01 2.77 -0.43 8.88 1.43 -1.26 -5.09 118.68 127.98 1y8y s LEU 296 Ca 0.65 -0.34 -0.12 0.00 -1.03 0.00 0.00 54.13 53.29 1y8y s LEU 296 Cb -0.31 -1.61 0.07 0.00 0.03 0.00 0.00 46.19 44.37 1y8y s LEU 296 CO 0.25 0.26 0.31 -0.13 0.23 0.00 0.00 176.35 177.28 1y8y s ARG 297 N -1.43 2.78 0.00 1.70 1.81 -1.26 -5.13 118.95 117.43 1y8y s ARG 297 Ca 0.15 -1.36 0.24 0.00 -1.72 0.00 0.00 55.73 53.04 1y8y s ARG 297 Cb -0.11 -3.92 0.19 0.00 -0.45 0.00 0.00 34.95 30.67 1y8y s ARG 297 CO 0.06 -0.95 1.25 1.28 -0.68 0.00 0.00 175.30 176.27