#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y18 s LEU 2 N 0.00 4.52 -0.18 4.31 2.96 -1.26 -4.90 118.68 124.13 1y18 s LEU 2 Ca 0.00 1.87 -0.00 0.00 -0.22 0.00 0.00 54.13 55.78 1y18 s LEU 2 Cb 0.00 -3.59 0.05 0.00 0.50 0.00 0.00 46.19 43.14 1y18 s LEU 2 CO 0.00 -0.05 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.24 1y18 s VAL 3 N -0.24 1.17 -0.08 1.68 1.01 -1.26 -4.98 120.40 117.70 1y18 s VAL 3 Ca 0.46 -0.74 -0.23 0.00 0.00 0.00 0.00 61.98 61.47 1y18 s VAL 3 Cb -0.25 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 1y18 s VAL 3 CO 0.31 0.08 0.68 -0.69 0.00 0.00 0.00 175.10 175.48 1y18 s VAL 4 N 1.60 5.06 0.00 2.92 1.01 -1.26 -2.14 120.40 127.58 1y18 s VAL 4 Ca -0.01 1.39 0.08 0.00 0.00 0.00 0.00 61.98 63.44 1y18 s VAL 4 Cb -0.16 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.18 1y18 s VAL 4 CO -0.08 0.25 -0.23 -0.89 0.00 0.00 0.00 175.10 174.15 1y18 s THR 5 N 0.86 1.87 0.09 3.92 2.01 -0.20 -3.96 115.64 120.22 1y18 s THR 5 Ca 0.36 -1.09 0.03 0.00 0.31 0.00 0.00 61.69 61.29 1y18 s THR 5 Cb -0.17 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.73 1y18 s THR 5 CO 0.17 0.45 -0.08 -1.10 -0.69 0.00 0.00 174.62 173.37 1y18 s GLN 6 N -0.76 0.80 0.25 4.92 -0.21 -1.26 -1.36 119.66 122.03 1y18 s GLN 6 Ca 0.09 -1.17 -0.30 0.00 0.02 0.00 0.00 55.36 54.00 1y18 s GLN 6 Cb -0.09 -0.36 -0.10 0.00 1.00 0.00 0.00 33.01 33.46 1y18 s GLN 6 CO 0.00 0.03 1.39 -1.83 -2.12 0.00 0.00 175.29 172.77 1y18 s GLU 7 N -3.06 4.31 0.15 2.91 1.03 -1.26 -4.85 118.70 117.93 1y18 s GLU 7 Ca 0.06 2.23 -0.17 0.00 0.03 0.00 0.00 54.97 57.12 1y18 s GLU 7 Cb -0.00 -3.13 0.06 0.00 -0.80 0.00 0.00 34.13 30.26 1y18 s GLU 7 CO -0.02 -0.35 1.71 0.77 -1.33 0.00 0.00 175.26 176.04 1y18 h SER 8 N 4.92 -0.12 -5.05 0.83 0.02 -1.96 -3.36 113.55 108.82 1y18 h SER 8 Ca -0.46 0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 60.47 1y18 h SER 8 Cb 1.22 0.13 -0.17 0.00 0.14 0.00 0.00 62.40 63.72 1y18 h SER 8 CO 0.76 -0.02 -0.22 0.00 -1.14 0.00 0.00 176.83 176.20 1y18 s ALA 9 N -6.18 -0.73 -0.01 3.77 0.00 -1.26 -0.59 121.76 116.76 1y18 s ALA 9 Ca -0.13 0.04 -0.07 0.00 0.00 0.00 0.00 51.96 51.80 1y18 s ALA 9 Cb 0.13 0.34 0.00 0.00 0.00 0.00 0.00 23.12 23.58 1y18 s ALA 9 CO 0.70 -0.43 0.14 -0.51 0.00 0.00 0.00 175.76 175.67 1y18 s LEU 11 N -2.08 1.54 -0.03 0.00 1.43 -0.41 -4.91 118.68 114.21 1y18 s LEU 11 Ca -0.05 -0.12 0.03 0.00 -1.03 0.00 0.00 54.13 52.96 1y18 s LEU 11 Cb -0.01 0.64 -0.00 0.00 0.03 0.00 0.00 46.19 46.86 1y18 s LEU 11 CO -0.03 -0.32 -0.13 -0.89 0.23 0.00 0.00 176.35 175.20 1y18 s THR 12 N -1.14 1.13 0.12 5.49 2.01 -1.26 -0.41 115.64 121.57 1y18 s THR 12 Ca -0.12 -0.55 -0.01 0.00 0.31 0.00 0.00 61.69 61.31 1y18 s THR 12 Cb -0.07 -0.98 -0.04 0.00 0.01 0.00 0.00 72.50 71.42 1y18 s THR 12 CO 0.01 0.34 0.05 0.28 -0.69 0.00 0.00 174.62 174.60 1y18 s THR 13 N 0.11 0.12 0.12 -0.82 -1.32 -0.35 -4.96 115.64 108.54 1y18 s THR 13 Ca -0.03 -1.87 0.03 0.00 -1.21 0.00 0.00 61.69 58.60 1y18 s THR 13 Cb -0.10 -1.93 -0.04 0.00 -1.51 0.00 0.00 72.50 68.92 1y18 s THR 13 CO 0.01 -0.56 0.20 -0.44 -2.21 0.00 0.00 174.62 171.61 1y18 s SER 14 N -3.02 6.02 0.56 8.08 0.01 -1.26 0.32 113.70 124.40 1y18 s SER 14 Ca 0.20 0.10 -0.19 0.00 1.31 0.00 0.00 55.95 57.37 1y18 s SER 14 Cb 0.07 -1.74 -0.07 0.00 0.21 0.00 0.00 66.02 64.49 1y18 s SER 14 CO -0.01 0.11 0.76 -2.65 0.41 0.00 0.00 173.24 171.86 1y18 n PRO 15 N -0.11 0.77 0.00 12.44 -0.02 -1.26 -1.59 135.00 145.23 1y18 n PRO 15 Ca -0.07 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 1y18 n PRO 15 Cb 0.53 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 1y18 n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1y18 n GLY 16 N 1.51 2.29 3.88 -1.23 0.00 0.66 -4.85 105.19 107.44 1y18 n GLY 16 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1y18 n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1y18 s GLU 17 N 0.00 1.00 -0.08 1.61 2.12 -0.62 -3.77 118.70 118.96 1y18 s GLU 17 Ca 0.00 -0.12 0.04 0.00 0.36 0.00 0.00 54.97 55.25 1y18 s GLU 17 Cb 0.00 -1.86 -0.01 0.00 0.26 0.00 0.00 34.13 32.52 1y18 s GLU 17 CO 0.00 -2.22 -0.20 0.99 -0.54 0.00 0.00 175.26 173.29 1y18 s THR 18 N -3.64 2.48 0.05 -1.70 2.01 -1.26 -0.45 115.64 113.13 1y18 s THR 18 Ca 0.68 -0.90 0.03 0.00 0.31 0.00 0.00 61.69 61.82 1y18 s THR 18 Cb -0.08 -1.96 -0.03 0.00 0.01 0.00 0.00 72.50 70.45 1y18 s THR 18 CO 0.52 0.56 -0.10 0.54 -0.69 0.00 0.00 174.62 175.45 1y18 s VAL 19 N -0.08 0.76 -0.09 3.82 0.11 -0.24 -5.00 120.40 119.68 1y18 s VAL 19 Ca -0.05 -1.14 0.00 0.00 -2.93 0.00 0.00 61.98 57.87 1y18 s VAL 19 Cb -0.14 -0.78 0.02 0.00 -1.53 0.00 0.00 36.38 33.95 1y18 s VAL 19 CO 0.04 -0.30 -0.07 -0.89 -3.33 0.00 0.00 175.10 170.55 1y18 s THR 20 N -1.29 0.92 -0.15 5.04 2.01 -1.26 -0.49 115.64 120.43 1y18 s THR 20 Ca -0.06 -0.26 -0.08 0.00 0.31 0.00 0.00 61.69 61.59 1y18 s THR 20 Cb -0.10 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.44 1y18 s THR 20 CO 0.01 0.34 0.15 -0.76 -0.69 0.00 0.00 174.62 173.67 1y18 s LEU 21 N 1.40 4.33 0.27 4.42 1.02 0.29 -4.94 118.68 125.46 1y18 s LEU 21 Ca -0.01 0.40 0.08 0.00 0.02 0.00 0.00 54.13 54.61 1y18 s LEU 21 Cb -0.13 -2.10 -0.04 0.00 0.02 0.00 0.00 46.19 43.94 1y18 s LEU 21 CO -0.04 0.32 0.15 0.42 0.02 0.00 0.00 176.35 177.22 1y18 s THR 22 N -0.50 4.04 -0.16 5.49 -4.23 -1.26 -0.99 115.64 118.02 1y18 s THR 22 Ca 0.13 -1.55 -0.05 0.00 -1.18 0.00 0.00 61.69 59.05 1y18 s THR 22 Cb -0.12 -3.22 0.06 0.00 1.34 0.00 0.00 72.50 70.56 1y18 s THR 22 CO 0.02 -0.33 0.10 0.00 -0.54 0.00 0.00 174.62 173.87 1y18 s ARG 24 N 2.15 1.95 -0.04 0.00 1.70 -0.46 -1.21 118.95 123.03 1y18 s ARG 24 Ca 0.02 -1.10 -0.06 0.00 -0.47 0.00 0.00 55.73 54.13 1y18 s ARG 24 Cb -0.16 -2.20 -0.04 0.00 -0.57 0.00 0.00 34.95 31.98 1y18 s ARG 24 CO -0.09 0.50 0.21 0.45 -1.08 0.00 0.00 175.30 175.29 1y18 s SER 25 N -2.10 6.44 0.09 -2.89 0.15 -1.25 -1.03 113.70 113.10 1y18 s SER 25 Ca 0.19 0.48 0.27 0.00 0.70 0.00 0.00 55.95 57.59 1y18 s SER 25 Cb -0.11 -2.06 0.86 0.00 -1.71 0.00 0.00 66.02 63.00 1y18 s SER 25 CO 0.11 0.31 1.72 -1.54 1.20 0.00 0.00 173.24 175.04 1y18 n SER 26 N 1.38 0.46 -1.52 5.45 3.41 -0.91 -3.35 113.62 118.53 1y18 n SER 26 Ca -0.14 0.37 0.09 0.00 -0.26 0.00 0.00 58.87 58.93 1y18 n SER 26 Cb 0.53 -0.40 0.34 0.00 -0.26 0.00 0.00 64.21 64.42 1y18 n SER 26 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1y18 n SER 27 N -1.86 4.51 0.00 4.04 3.41 -1.26 -4.94 113.62 117.52 1y18 n SER 27 Ca 0.06 -2.40 0.00 0.00 -0.26 0.00 0.00 58.87 56.27 1y18 n SER 27 Cb 0.39 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 1y18 n SER 27 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1y18 n GLY 27 N 1.13 0.71 3.76 5.00 0.00 -1.21 -5.07 105.19 109.52 1y18 n GLY 27 Ca 0.24 -2.09 -0.39 0.00 0.00 0.00 0.00 46.02 43.78 1y18 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y18 s ALA 27 N -1.49 3.32 0.28 4.61 0.00 -1.26 -3.94 121.76 123.27 1y18 s ALA 27 Ca 0.00 0.84 -0.29 0.00 0.00 0.00 0.00 51.96 52.51 1y18 s ALA 27 Cb 0.00 -3.31 -0.10 0.00 0.00 0.00 0.00 23.12 19.71 1y18 s ALA 27 CO 0.00 -0.17 1.09 0.08 0.00 0.00 0.00 175.76 176.76 1y18 s VAL 27 N -1.29 3.50 0.12 0.00 1.01 0.78 -4.97 120.40 119.56 1y18 s VAL 27 Ca 0.48 1.50 0.02 0.00 0.00 0.00 0.00 61.98 63.99 1y18 s VAL 27 Cb -0.29 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 1y18 s VAL 27 CO 0.37 0.35 -0.05 0.42 0.00 0.00 0.00 175.10 176.19 1y18 s THR 28 N -1.17 0.75 0.43 3.92 -4.23 -1.26 -4.73 115.64 109.34 1y18 s THR 28 Ca 0.45 -1.96 0.28 0.00 -1.18 0.00 0.00 61.69 59.28 1y18 s THR 28 Cb -0.32 -1.81 0.47 0.00 1.34 0.00 0.00 72.50 72.18 1y18 s THR 28 CO 0.41 -0.76 1.64 0.71 -0.54 0.00 0.00 174.62 176.08 1y18 h THR 29 N 2.88 0.16 0.00 3.99 1.35 -1.98 0.90 112.91 120.21 1y18 h THR 29 Ca -0.36 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1y18 h THR 29 Cb 1.18 0.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 1y18 h THR 29 CO 0.64 0.02 0.00 -1.54 -0.25 0.00 0.00 175.52 174.39 1y18 n SER 30 N -4.71 0.00 0.05 5.36 3.41 -1.26 -1.38 113.62 115.10 1y18 n SER 30 Ca 0.36 -0.37 0.11 0.00 -0.26 0.00 0.00 58.87 58.72 1y18 n SER 30 Cb 1.36 -0.08 0.06 0.00 -0.26 0.00 0.00 64.21 65.29 1y18 n SER 30 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1y18 n ASN 31 N -1.08 0.65 -4.10 4.04 5.03 0.31 -4.80 115.26 115.31 1y18 n ASN 31 Ca 0.11 -0.00 -0.33 0.00 0.87 0.00 0.00 54.58 55.22 1y18 n ASN 31 Cb 0.08 0.59 -0.01 0.00 -1.02 0.00 0.00 39.78 39.42 1y18 n ASN 31 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1y18 n TYR 32 N -2.14 -1.90 -1.22 3.10 4.01 -0.48 -0.49 117.16 118.04 1y18 n TYR 32 Ca 0.02 0.83 -0.47 0.00 -0.16 0.00 0.00 57.90 58.11 1y18 n TYR 32 Cb 0.46 -3.34 -0.06 0.00 -0.31 0.00 0.00 39.34 36.10 1y18 n TYR 32 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1y18 n ALA 33 N -4.47 -3.00 -2.64 -0.72 0.00 -1.26 -3.85 120.51 104.57 1y18 n ALA 33 Ca 0.02 0.47 -0.12 0.00 0.00 0.00 0.00 53.44 53.81 1y18 n ALA 33 Cb 0.52 -1.43 -0.11 0.00 0.00 0.00 0.00 19.45 18.43 1y18 n ALA 33 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1y18 s THR 34 N -0.17 0.61 0.08 0.00 -1.32 -0.75 -0.13 115.64 113.97 1y18 s THR 34 Ca 0.71 -1.36 0.08 0.00 -1.21 0.00 0.00 61.69 59.91 1y18 s THR 34 Cb -0.99 -0.97 -0.03 0.00 -1.51 0.00 0.00 72.50 69.00 1y18 s THR 34 CO 0.47 -0.53 -0.21 0.26 -2.21 0.00 0.00 174.62 172.40 1y18 s TRP 35 N -2.09 1.79 -0.00 9.09 0.52 -0.70 -1.26 118.94 126.29 1y18 s TRP 35 Ca -0.03 -0.40 0.02 0.00 0.02 0.00 0.00 56.10 55.71 1y18 s TRP 35 Cb -0.05 -1.01 -0.01 0.00 -1.15 0.00 0.00 33.47 31.25 1y18 s TRP 35 CO -0.01 0.17 -0.07 0.08 0.02 0.00 0.00 176.95 177.14 1y18 s VAL 36 N -1.04 0.52 -0.13 4.03 1.01 0.50 -0.58 120.40 124.72 1y18 s VAL 36 Ca 0.07 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 61.70 1y18 s VAL 36 Cb -0.10 -0.45 -0.02 0.00 0.00 0.00 0.00 36.38 35.81 1y18 s VAL 36 CO 0.03 0.11 -0.07 -1.58 0.00 0.00 0.00 175.10 173.60 1y18 s GLN 37 N -0.25 3.42 -0.24 2.72 0.74 0.38 0.00 119.66 126.43 1y18 s GLN 37 Ca 0.02 -0.58 -0.03 0.00 0.05 0.00 0.00 55.36 54.82 1y18 s GLN 37 Cb -0.03 -2.77 0.01 0.00 1.10 0.00 0.00 33.01 31.32 1y18 s GLN 37 CO -0.00 0.31 -0.03 -2.00 -0.55 0.00 0.00 175.29 173.02 1y18 s GLU 38 N 0.14 3.14 0.30 1.67 2.12 0.51 -1.05 118.70 125.54 1y18 s GLU 38 Ca -0.03 -0.78 0.07 0.00 0.36 0.00 0.00 54.97 54.59 1y18 s GLU 38 Cb -0.14 -3.05 -0.03 0.00 0.26 0.00 0.00 34.13 31.17 1y18 s GLU 38 CO 0.03 -0.30 0.26 0.15 -0.54 0.00 0.00 175.26 174.86 1y18 s LYS 39 N 1.43 2.81 0.22 4.30 1.02 0.12 -1.96 119.74 127.68 1y18 s LYS 39 Ca 0.03 -1.20 -0.29 0.00 0.02 0.00 0.00 55.97 54.54 1y18 s LYS 39 Cb -0.15 -2.51 -0.16 0.00 -0.52 0.00 0.00 37.83 34.48 1y18 s LYS 39 CO -0.03 0.21 0.80 -2.30 -0.92 0.00 0.00 175.35 173.11 1y18 n PRO 40 N -1.30 0.65 -1.94 -1.68 -0.02 -1.26 -2.29 135.00 127.16 1y18 n PRO 40 Ca -0.04 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1y18 n PRO 40 Cb 0.59 -1.44 0.00 0.00 -0.02 0.00 0.00 33.50 32.63 1y18 n PRO 40 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1y18 n ASP 41 N 1.67 -1.24 -3.74 2.55 8.00 -1.26 -4.17 116.55 118.36 1y18 n ASP 41 Ca 0.14 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.42 1y18 n ASP 41 Cb 0.27 -0.44 0.02 0.00 -0.02 0.00 0.00 41.12 40.95 1y18 n ASP 41 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1y18 n HIS 42 N -3.05 -1.87 -3.56 1.24 8.25 -1.19 -4.95 115.22 110.09 1y18 n HIS 42 Ca 0.00 0.80 -0.41 0.00 -0.26 0.00 0.00 57.72 57.85 1y18 n HIS 42 Cb 0.44 -4.22 -0.09 0.00 1.12 0.00 0.00 29.99 27.24 1y18 n HIS 42 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1y18 s LEU 43 N -6.69 5.52 0.00 2.41 1.43 -0.97 -4.99 118.68 115.39 1y18 s LEU 43 Ca 0.03 -1.74 -0.01 0.00 -1.03 0.00 0.00 54.13 51.38 1y18 s LEU 43 Cb -0.01 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 1y18 s LEU 43 CO 0.83 -0.64 0.11 -0.36 0.23 0.00 0.00 176.35 176.52 1y18 s PHE 44 N 1.40 3.36 -0.04 0.29 0.40 -1.26 -0.70 117.98 121.43 1y18 s PHE 44 Ca 0.05 0.24 -0.01 0.00 -0.60 0.00 0.00 56.93 56.60 1y18 s PHE 44 Cb -0.25 -1.76 0.03 0.00 0.51 0.00 0.00 43.02 41.55 1y18 s PHE 44 CO 0.01 0.58 0.08 0.99 0.70 0.00 0.00 175.22 177.57 1y18 s THR 45 N -1.25 -0.04 0.20 0.64 2.01 -0.21 -4.96 115.64 112.04 1y18 s THR 45 Ca 0.25 0.16 -0.30 0.00 0.31 0.00 0.00 61.69 62.11 1y18 s THR 45 Cb -0.12 -0.14 -0.08 0.00 0.01 0.00 0.00 72.50 72.17 1y18 s THR 45 CO 0.16 0.07 1.15 -0.83 -0.69 0.00 0.00 174.62 174.47 1y18 s GLY 46 N 0.92 2.82 -0.05 4.40 0.00 -1.26 -0.47 107.32 113.67 1y18 s GLY 46 Ca -0.07 0.90 -0.08 0.00 0.00 0.00 0.00 44.72 45.46 1y18 s GLY 46 CO -0.03 1.72 -0.17 1.04 0.00 0.00 0.00 173.10 175.65 1y18 n LEU 47 N 2.18 1.42 -4.32 0.66 4.77 0.26 -4.79 117.00 117.17 1y18 n LEU 47 Ca 0.03 0.22 -0.24 0.00 -0.03 0.00 0.00 56.01 55.99 1y18 n LEU 47 Cb 0.45 -0.51 -0.12 0.00 -2.33 0.00 0.00 43.42 40.91 1y18 n LEU 47 CO 0.55 -0.37 -0.51 -0.63 -1.33 0.00 0.00 177.39 175.09 1y18 s ILE 48 N -2.41 1.86 0.03 -0.08 -1.09 -1.21 -0.23 121.20 118.06 1y18 s ILE 48 Ca -0.15 -1.74 -0.06 0.00 -2.23 0.00 0.00 60.65 56.47 1y18 s ILE 48 Cb 0.03 -1.75 -0.01 0.00 -1.58 0.00 0.00 42.46 39.15 1y18 s ILE 48 CO 0.22 -0.15 0.11 -0.83 -1.23 0.00 0.00 174.94 173.06 1y18 s GLY 49 N -2.27 0.15 -1.54 6.18 0.00 0.59 -1.72 107.32 108.71 1y18 s GLY 49 Ca 0.12 -0.49 -0.05 0.00 0.00 0.00 0.00 44.72 44.30 1y18 s GLY 49 CO 0.06 -0.63 0.68 0.61 0.00 0.00 0.00 173.10 173.82 1y18 n GLY 50 N 0.83 -0.52 5.00 0.20 0.00 -1.18 -1.39 105.19 108.13 1y18 n GLY 50 Ca -0.19 0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1y18 n GLY 50 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1y18 n THR 51 N -4.58 0.00 -0.58 2.61 -1.04 0.82 -4.01 114.28 107.49 1y18 n THR 51 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 1y18 n THR 51 Cb 0.61 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.12 1y18 n THR 51 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1y18 n ASN 52 N 2.53 0.68 -4.65 8.00 6.94 -1.24 -2.74 115.26 124.79 1y18 n ASN 52 Ca 0.00 -1.27 -0.39 0.00 -0.02 0.00 0.00 54.58 52.90 1y18 n ASN 52 Cb 0.00 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.35 1y18 n ASN 52 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1y18 s LYS 53 N -0.27 4.14 0.40 -3.83 3.01 -0.48 -4.29 119.74 118.42 1y18 s LYS 53 Ca 0.00 0.33 -0.24 0.00 -1.01 0.00 0.00 55.97 55.06 1y18 s LYS 53 Cb 0.00 -3.59 -0.09 0.00 -1.01 0.00 0.00 37.83 33.14 1y18 s LYS 53 CO 0.00 -0.21 1.05 0.50 0.51 0.00 0.00 175.35 177.20 1y18 s ARG 54 N 1.83 4.15 0.34 1.68 3.52 -1.26 -0.30 118.95 128.91 1y18 s ARG 54 Ca 0.22 1.50 -0.16 0.00 -0.13 0.00 0.00 55.73 57.16 1y18 s ARG 54 Cb -0.15 -2.51 -0.09 0.00 -1.56 0.00 0.00 34.95 30.63 1y18 s ARG 54 CO 0.09 -0.16 0.78 0.00 -0.81 0.00 0.00 175.30 175.20 1y18 s ALA 55 N -1.68 3.27 0.30 6.12 0.00 0.67 -4.86 121.76 125.58 1y18 s ALA 55 Ca 0.58 0.11 -0.30 0.00 0.00 0.00 0.00 51.96 52.35 1y18 s ALA 55 Cb -0.21 -2.84 -0.12 0.00 0.00 0.00 0.00 23.12 19.95 1y18 s ALA 55 CO 0.27 0.29 1.55 -0.35 0.00 0.00 0.00 175.76 177.52 1y18 n PRO 56 N -0.43 2.60 -0.18 0.00 -0.04 -1.26 -1.99 135.00 133.70 1y18 n PRO 56 Ca 0.04 0.92 0.00 0.00 -0.04 0.00 0.00 63.50 64.42 1y18 n PRO 56 Cb 0.53 -2.68 0.00 0.00 -0.04 0.00 0.00 33.50 31.32 1y18 n PRO 56 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1y18 n GLY 57 N 1.85 0.77 3.63 0.55 0.00 -1.26 -5.05 105.19 105.68 1y18 n GLY 57 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1y18 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y18 s VAL 58 N -2.48 5.13 0.62 1.61 1.01 -0.84 -5.05 120.40 120.40 1y18 s VAL 58 Ca 0.00 0.77 -0.18 0.00 0.00 0.00 0.00 61.98 62.57 1y18 s VAL 58 Cb 0.00 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 1y18 s VAL 58 CO 0.00 0.16 0.77 -0.81 0.00 0.00 0.00 175.10 175.22 1y18 n PRO 59 N 5.12 0.66 0.00 2.72 -0.04 -1.26 -4.84 135.00 137.36 1y18 n PRO 59 Ca -0.06 0.26 0.05 0.00 -0.04 0.00 0.00 63.50 63.71 1y18 n PRO 59 Cb 0.50 -1.99 0.24 0.00 -0.04 0.00 0.00 33.50 32.22 1y18 n PRO 59 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1y18 n ALA 60 N -1.89 1.56 0.31 0.55 0.00 -1.26 -2.41 120.51 117.36 1y18 n ALA 60 Ca 0.13 -0.04 0.20 0.00 0.00 0.00 0.00 53.44 53.73 1y18 n ALA 60 Cb 0.48 -1.17 1.00 0.00 0.00 0.00 0.00 19.45 19.77 1y18 n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y18 h ARG 61 N 0.00 0.00 -5.60 0.00 3.08 -1.88 -3.41 114.38 106.57 1y18 h ARG 61 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 1y18 h ARG 61 Cb 0.14 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.10 1y18 h ARG 61 CO 0.00 0.00 -0.39 -0.06 -1.07 0.00 0.00 179.97 178.45 1y18 s PHE 62 N -3.94 3.55 0.01 3.04 0.08 -1.01 -0.71 117.98 119.00 1y18 s PHE 62 Ca -0.03 0.59 -0.16 0.00 0.12 0.00 0.00 56.93 57.45 1y18 s PHE 62 Cb 0.11 -2.15 0.03 0.00 -0.57 0.00 0.00 43.02 40.44 1y18 s PHE 62 CO 0.42 0.51 0.35 -1.54 -0.10 0.00 0.00 175.22 174.86 1y18 s SER 63 N -0.40 -0.23 0.31 1.36 1.04 -0.74 -4.96 113.70 110.09 1y18 s SER 63 Ca 0.16 0.05 0.10 0.00 0.48 0.00 0.00 55.95 56.74 1y18 s SER 63 Cb -0.13 0.36 -0.05 0.00 0.10 0.00 0.00 66.02 66.30 1y18 s SER 63 CO 0.04 -0.54 -0.06 -0.83 0.98 0.00 0.00 173.24 172.84 1y18 s GLY 64 N -1.60 1.98 0.00 7.32 0.00 -1.26 -0.46 107.32 113.29 1y18 s GLY 64 Ca -0.10 -1.91 0.00 0.00 0.00 0.00 0.00 44.72 42.71 1y18 s GLY 64 CO 0.02 -1.91 0.00 -1.14 0.00 0.00 0.00 173.10 170.07 1y18 n SER 65 N -0.84 0.00 -4.58 1.64 3.41 -0.76 -4.44 113.62 108.05 1y18 n SER 65 Ca -0.05 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.21 1y18 n SER 65 Cb 0.61 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.46 1y18 n SER 65 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1y18 s LEU 66 N 0.00 3.72 -0.18 1.04 1.43 -1.26 0.20 118.68 123.63 1y18 s LEU 66 Ca 0.00 -0.00 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 1y18 s LEU 66 Cb 0.00 -1.96 0.04 0.00 0.03 0.00 0.00 46.19 44.30 1y18 s LEU 66 CO 0.00 0.11 -0.10 -0.63 0.23 0.00 0.00 176.35 175.96 1y18 s ILE 67 N 0.77 1.49 0.00 -0.59 1.01 -0.17 -4.96 121.20 118.75 1y18 s ILE 67 Ca 0.04 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.85 1y18 s ILE 67 Cb -0.13 -1.56 0.00 0.00 0.01 0.00 0.00 42.46 40.77 1y18 s ILE 67 CO 0.02 0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.79 1y18 n GLY 68 N 4.75 2.97 1.20 6.18 0.00 -1.26 -1.33 105.19 117.69 1y18 n GLY 68 Ca -0.14 -0.24 0.10 0.00 0.00 0.00 0.00 46.02 45.74 1y18 n GLY 68 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1y18 n ASP 69 N 4.94 3.47 -4.66 1.61 8.00 -1.26 -4.88 116.55 123.77 1y18 n ASP 69 Ca 0.00 -2.01 -0.25 0.00 0.71 0.00 0.00 54.79 53.25 1y18 n ASP 69 Cb 0.00 -0.43 -0.08 0.00 -0.02 0.00 0.00 41.12 40.58 1y18 n ASP 69 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1y18 s ARG 70 N -1.15 2.13 0.08 -1.24 0.52 -0.44 -0.15 118.95 118.69 1y18 s ARG 70 Ca 0.43 -1.75 0.01 0.00 -0.52 0.00 0.00 55.73 53.90 1y18 s ARG 70 Cb 0.23 -1.95 -0.04 0.00 0.52 0.00 0.00 34.95 33.70 1y18 s ARG 70 CO 0.29 0.09 0.18 0.00 0.02 0.00 0.00 175.30 175.88 1y18 s ALA 71 N -2.53 3.87 0.05 2.13 0.00 -0.35 -0.99 121.76 123.94 1y18 s ALA 71 Ca 0.36 -0.92 -0.10 0.00 0.00 0.00 0.00 51.96 51.30 1y18 s ALA 71 Cb 0.01 -1.70 0.01 0.00 0.00 0.00 0.00 23.12 21.43 1y18 s ALA 71 CO 0.20 0.77 0.21 0.00 0.00 0.00 0.00 175.76 176.94 1y18 s ALA 72 N -1.51 -0.39 -0.16 0.00 0.00 0.13 0.01 121.76 119.84 1y18 s ALA 72 Ca 0.33 -0.30 0.01 0.00 0.00 0.00 0.00 51.96 52.01 1y18 s ALA 72 Cb -0.12 0.33 0.01 0.00 0.00 0.00 0.00 23.12 23.34 1y18 s ALA 72 CO 0.26 -0.40 -0.20 -1.17 0.00 0.00 0.00 175.76 174.25 1y18 s LEU 73 N -2.24 2.17 -0.16 0.00 2.96 -0.16 -1.82 118.68 119.43 1y18 s LEU 73 Ca -0.03 -0.61 -0.00 0.00 -0.22 0.00 0.00 54.13 53.27 1y18 s LEU 73 Cb 0.00 -1.48 -0.00 0.00 0.50 0.00 0.00 46.19 45.21 1y18 s LEU 73 CO -0.05 0.04 -0.14 -0.89 -1.32 0.00 0.00 176.35 173.98 1y18 s THR 74 N 1.08 2.79 -0.30 3.68 2.01 0.39 -0.55 115.64 124.74 1y18 s THR 74 Ca -0.00 -0.73 -0.07 0.00 0.31 0.00 0.00 61.69 61.20 1y18 s THR 74 Cb -0.14 -2.19 0.01 0.00 0.01 0.00 0.00 72.50 70.19 1y18 s THR 74 CO -0.08 0.51 0.10 -0.63 -0.69 0.00 0.00 174.62 173.83 1y18 s ILE 75 N 0.80 4.11 -0.08 1.82 1.01 0.36 -1.79 121.20 127.43 1y18 s ILE 75 Ca -0.05 -0.67 -0.11 0.00 0.00 0.00 0.00 60.65 59.82 1y18 s ILE 75 Cb -0.15 -3.13 -0.05 0.00 0.01 0.00 0.00 42.46 39.14 1y18 s ILE 75 CO 0.00 0.05 0.27 0.42 0.00 0.00 0.00 174.94 175.69 1y18 s THR 76 N 1.52 5.29 -0.90 2.92 -4.23 0.12 -1.08 115.64 119.28 1y18 s THR 76 Ca 0.03 0.51 -0.02 0.00 -1.18 0.00 0.00 61.69 61.03 1y18 s THR 76 Cb -0.17 -3.56 -0.02 0.00 1.34 0.00 0.00 72.50 70.09 1y18 s THR 76 CO 0.03 0.56 0.76 0.61 -0.54 0.00 0.00 174.62 176.05 1y18 n GLY 77 N 2.17 -0.36 3.62 3.99 0.00 0.05 -4.75 105.19 109.91 1y18 n GLY 77 Ca -0.16 0.11 -0.47 0.00 0.00 0.00 0.00 46.02 45.50 1y18 n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y18 n ALA 78 N -3.24 -0.03 -2.56 4.61 0.00 0.41 -4.40 120.51 115.30 1y18 n ALA 78 Ca -0.17 0.45 -0.24 0.00 0.00 0.00 0.00 53.44 53.48 1y18 n ALA 78 Cb 0.62 -2.13 -0.09 0.00 0.00 0.00 0.00 19.45 17.85 1y18 n ALA 78 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1y18 s GLN 79 N -0.26 2.00 0.50 0.00 -0.21 -1.26 -0.24 119.66 120.19 1y18 s GLN 79 Ca 0.73 -1.60 0.18 0.00 0.02 0.00 0.00 55.36 54.69 1y18 s GLN 79 Cb -0.78 -1.97 1.25 0.00 1.00 0.00 0.00 33.01 32.51 1y18 s GLN 79 CO 0.50 0.33 2.09 1.79 -2.12 0.00 0.00 175.29 177.89 1y18 h THR 80 N 2.05 0.96 0.00 -0.19 1.35 -1.94 0.10 112.91 115.24 1y18 h THR 80 Ca -0.42 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 1y18 h THR 80 Cb 1.25 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 1y18 h THR 80 CO 0.61 0.08 0.00 -0.62 -0.25 0.00 0.00 175.52 175.34 1y18 n GLU 81 N -4.30 0.02 0.00 4.72 4.71 -1.26 -1.89 120.64 122.64 1y18 n GLU 81 Ca -0.03 0.42 0.13 0.00 -0.01 0.00 0.00 57.16 57.68 1y18 n GLU 81 Cb 0.16 -1.55 0.46 0.00 -1.01 0.00 0.00 31.44 29.50 1y18 n GLU 81 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1y18 n ASP 82 N -1.58 0.51 -4.65 1.62 8.00 0.35 -4.84 116.55 115.95 1y18 n ASP 82 Ca 0.01 -0.36 -0.42 0.00 0.71 0.00 0.00 54.79 54.73 1y18 n ASP 82 Cb 0.07 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.14 1y18 n ASP 82 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1y18 s GLU 83 N -2.73 4.07 0.02 -1.24 -1.05 -0.79 -4.85 118.70 112.14 1y18 s GLU 83 Ca 0.20 2.21 -0.06 0.00 -0.15 0.00 0.00 54.97 57.17 1y18 s GLU 83 Cb 0.19 -4.05 0.02 0.00 -0.44 0.00 0.00 34.13 29.85 1y18 s GLU 83 CO 0.56 -0.99 0.30 0.00 0.95 0.00 0.00 175.26 176.08 1y18 n ALA 84 N 7.61 -0.81 -3.17 -0.84 0.00 -1.19 -4.93 120.51 117.18 1y18 n ALA 84 Ca 0.19 -0.23 -0.34 0.00 0.00 0.00 0.00 53.44 53.06 1y18 n ALA 84 Cb 0.43 0.08 -0.13 0.00 0.00 0.00 0.00 19.45 19.83 1y18 n ALA 84 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1y18 s ILE 85 N -2.26 3.52 -0.21 0.00 1.01 -0.83 -1.09 121.20 121.35 1y18 s ILE 85 Ca 0.07 -0.47 -0.06 0.00 0.00 0.00 0.00 60.65 60.19 1y18 s ILE 85 Cb -0.00 -2.55 -0.03 0.00 0.01 0.00 0.00 42.46 39.89 1y18 s ILE 85 CO 0.00 0.47 0.02 -0.31 0.00 0.00 0.00 174.94 175.13 1y18 s TYR 86 N 0.77 3.07 -0.09 3.97 2.02 0.10 -0.36 117.35 126.84 1y18 s TYR 86 Ca -0.02 -0.39 -0.02 0.00 -0.37 0.00 0.00 57.07 56.26 1y18 s TYR 86 Cb -0.15 -2.12 -0.03 0.00 -0.40 0.00 0.00 41.96 39.26 1y18 s TYR 86 CO 0.02 -0.23 0.00 -0.06 -1.57 0.00 0.00 175.55 173.71 1y18 s PHE 87 N 1.08 3.17 0.17 2.71 0.08 0.10 -0.42 117.98 124.86 1y18 s PHE 87 Ca 0.03 0.19 0.11 0.00 0.12 0.00 0.00 56.93 57.37 1y18 s PHE 87 Cb -0.14 -1.80 -0.04 0.00 -0.57 0.00 0.00 43.02 40.46 1y18 s PHE 87 CO 0.02 0.46 -0.24 0.00 -0.10 0.00 0.00 175.22 175.36 1y18 s ALA 89 N -1.44 -0.06 0.03 0.00 0.00 -0.39 0.82 121.76 120.73 1y18 s ALA 89 Ca 0.19 -0.05 0.09 0.00 0.00 0.00 0.00 51.96 52.18 1y18 s ALA 89 Cb -0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 1y18 s ALA 89 CO 0.09 -0.06 -0.26 -0.51 0.00 0.00 0.00 175.76 175.02 1y18 s LEU 90 N -0.35 2.16 -0.31 0.00 1.43 0.13 -1.80 118.68 119.93 1y18 s LEU 90 Ca -0.04 -0.56 -0.16 0.00 -1.03 0.00 0.00 54.13 52.34 1y18 s LEU 90 Cb -0.03 -1.31 -0.02 0.00 0.03 0.00 0.00 46.19 44.86 1y18 s LEU 90 CO -0.00 0.27 0.42 0.86 0.23 0.00 0.00 176.35 178.13 1y18 s TRP 91 N -0.76 3.22 -0.97 0.29 -0.11 0.35 -0.48 118.94 120.48 1y18 s TRP 91 Ca 0.11 0.27 -0.03 0.00 1.22 0.00 0.00 56.10 57.67 1y18 s TRP 91 Cb -0.10 -2.70 0.26 0.00 -1.50 0.00 0.00 33.47 29.44 1y18 s TRP 91 CO 0.01 -0.36 1.07 -1.71 -4.62 0.00 0.00 176.95 171.34 1y18 n ASN 92 N 5.46 5.11 0.00 5.86 2.85 0.26 -4.41 115.26 130.40 1y18 n ASN 92 Ca -0.07 -3.24 0.00 0.00 -0.11 0.00 0.00 54.58 51.16 1y18 n ASN 92 Cb 0.50 -1.14 0.00 0.00 1.24 0.00 0.00 39.78 40.38 1y18 n ASN 92 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1y18 n SER 93 N 1.89 0.00 0.00 1.20 2.88 -1.26 -3.33 113.62 115.00 1y18 n SER 93 Ca 0.25 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 1y18 n SER 93 Cb 0.37 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 1y18 n SER 93 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1y18 n ASN 94 N 0.73 0.66 -3.50 -3.46 0.23 -1.26 -5.09 115.26 103.56 1y18 n ASN 94 Ca 0.00 -1.25 -0.12 0.00 -0.53 0.00 0.00 54.58 52.68 1y18 n ASN 94 Cb 0.00 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.67 1y18 n ASN 94 CO 0.00 0.00 0.00 -1.38 -0.93 0.00 0.00 177.26 174.95 1y18 s HIS 95 N -0.25 -0.45 -0.16 -2.53 -3.43 -1.21 -5.16 115.29 102.11 1y18 s HIS 95 Ca 0.00 0.28 -0.07 0.00 -0.80 0.00 0.00 55.06 54.47 1y18 s HIS 95 Cb 0.00 0.45 -0.04 0.00 -1.43 0.00 0.00 32.58 31.55 1y18 s HIS 95 CO 0.00 -0.77 0.10 -1.17 -2.00 0.00 0.00 174.74 170.90 1y18 s LEU 96 N -2.57 4.09 -0.14 5.38 2.96 -1.26 -0.57 118.68 126.56 1y18 s LEU 96 Ca -0.00 0.26 0.02 0.00 -0.22 0.00 0.00 54.13 54.18 1y18 s LEU 96 Cb -0.00 -2.02 0.02 0.00 0.50 0.00 0.00 46.19 44.68 1y18 s LEU 96 CO -0.10 0.28 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.33 1y18 s VAL 97 N -0.23 1.86 0.39 1.68 1.01 0.37 -4.96 120.40 120.52 1y18 s VAL 97 Ca 0.09 -0.84 -0.06 0.00 0.00 0.00 0.00 61.98 61.17 1y18 s VAL 97 Cb -0.12 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 1y18 s VAL 97 CO 0.01 0.51 0.70 -0.36 0.00 0.00 0.00 175.10 175.96 1y18 s PHE 98 N 1.07 3.50 0.69 5.22 0.08 -1.26 -0.69 117.98 126.58 1y18 s PHE 98 Ca -0.02 0.80 -0.03 0.00 0.12 0.00 0.00 56.93 57.80 1y18 s PHE 98 Cb -0.14 -2.26 0.14 0.00 -0.57 0.00 0.00 43.02 40.19 1y18 s PHE 98 CO -0.06 -0.07 0.94 0.41 -0.10 0.00 0.00 175.22 176.35 1y18 n GLY 99 N -1.55 0.29 0.00 4.36 0.00 0.24 -4.40 105.19 104.13 1y18 n GLY 99 Ca 0.00 -1.97 0.14 0.00 0.00 0.00 0.00 46.02 44.20 1y18 n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y18 n GLY 100 N -1.99 -1.39 0.00 -0.02 0.00 -1.25 -4.74 105.19 95.79 1y18 n GLY 100 Ca 0.15 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1y18 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y18 n GLY 101 N 1.41 -1.18 3.10 -0.02 0.00 -1.26 -5.01 105.19 102.23 1y18 n GLY 101 Ca 0.10 -1.46 -0.29 0.00 0.00 0.00 0.00 46.02 44.36 1y18 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1y18 s THR 102 N -3.31 1.66 -0.31 2.61 2.01 0.44 -4.51 115.64 114.23 1y18 s THR 102 Ca 0.00 -0.75 -0.24 0.00 0.31 0.00 0.00 61.69 61.01 1y18 s THR 102 Cb 0.00 -1.49 0.00 0.00 0.01 0.00 0.00 72.50 71.02 1y18 s THR 102 CO 0.00 0.47 0.81 -0.75 -0.69 0.00 0.00 174.62 174.46 1y18 s LYS 103 N 0.84 3.98 -0.27 4.92 2.36 0.24 -0.72 119.74 131.09 1y18 s LYS 103 Ca -0.09 0.64 -0.11 0.00 -2.55 0.00 0.00 55.97 53.86 1y18 s LYS 103 Cb -0.15 -3.73 -0.05 0.00 -1.05 0.00 0.00 37.83 32.85 1y18 s LYS 103 CO 0.00 -0.69 0.19 -1.17 1.55 0.00 0.00 175.35 175.23 1y18 s LEU 104 N 3.01 4.04 -0.11 5.43 2.96 -0.25 -1.28 118.68 132.48 1y18 s LEU 104 Ca 0.33 0.03 -0.03 0.00 -0.22 0.00 0.00 54.13 54.25 1y18 s LEU 104 Cb -0.14 -2.13 -0.03 0.00 0.50 0.00 0.00 46.19 44.38 1y18 s LEU 104 CO 0.13 -0.03 -0.00 -0.70 -1.32 0.00 0.00 176.35 174.42 1y18 s GLU 105 N 1.62 3.18 -0.31 1.98 2.12 0.45 -3.16 118.70 124.58 1y18 s GLU 105 Ca 0.08 -0.43 -0.10 0.00 0.36 0.00 0.00 54.97 54.88 1y18 s GLU 105 Cb -0.15 -2.84 -0.01 0.00 0.26 0.00 0.00 34.13 31.38 1y18 s GLU 105 CO 0.10 0.58 0.17 0.42 -0.54 0.00 0.00 175.26 175.99 1y18 s ILE 106 N -0.55 4.76 0.56 -3.70 1.09 -1.26 -1.21 121.20 120.89 1y18 s ILE 106 Ca 0.09 -0.34 -0.21 0.00 -1.10 0.00 0.00 60.65 59.09 1y18 s ILE 106 Cb -0.12 -3.41 -0.04 0.00 -1.06 0.00 0.00 42.46 37.82 1y18 s ILE 106 CO 0.02 0.07 1.29 -0.75 -0.10 0.00 0.00 174.94 175.47 1y18 s LYS 107 N 1.64 3.10 0.27 2.79 2.20 0.15 -4.95 119.74 124.94 1y18 s LYS 107 Ca 0.05 2.05 -0.07 0.00 -0.36 0.00 0.00 55.97 57.64 1y18 s LYS 107 Cb -0.17 -2.14 -0.01 0.00 -1.51 0.00 0.00 37.83 34.00 1y18 s LYS 107 CO 0.07 -1.16 0.41 -0.98 -0.36 0.00 0.00 175.35 173.33 1y18 s ARG 108 N -3.04 1.59 0.70 4.03 1.04 -1.26 -4.50 118.95 117.51 1y18 s ARG 108 Ca 0.73 -1.48 -0.16 0.00 -1.04 0.00 0.00 55.73 53.78 1y18 s ARG 108 Cb -0.36 0.42 0.02 0.00 -2.04 0.00 0.00 34.95 33.00 1y18 s ARG 108 CO 0.41 -0.64 1.22 0.95 -0.04 0.00 0.00 175.30 177.20 1y18 s THR 109 N -3.76 2.33 0.31 4.99 -4.23 -1.26 -4.92 115.64 109.10 1y18 s THR 109 Ca 0.28 0.17 -0.29 0.00 -1.18 0.00 0.00 61.69 60.67 1y18 s THR 109 Cb 0.01 -2.81 -0.11 0.00 1.34 0.00 0.00 72.50 70.93 1y18 s THR 109 CO 0.13 -0.08 1.50 -0.69 -0.54 0.00 0.00 174.62 174.94 1y18 s VAL 110 N -1.88 2.25 -0.16 2.29 1.01 -1.26 -4.82 120.40 117.84 1y18 s VAL 110 Ca 0.76 0.23 -0.03 0.00 0.00 0.00 0.00 61.98 62.94 1y18 s VAL 110 Cb -0.30 -3.15 0.05 0.00 0.00 0.00 0.00 36.38 32.99 1y18 s VAL 110 CO 0.43 0.04 0.04 0.00 0.00 0.00 0.00 175.10 175.61 1y18 s ALA 111 N -0.44 0.84 0.53 5.51 0.00 0.37 -4.92 121.76 123.65 1y18 s ALA 111 Ca 0.58 -0.50 -0.21 0.00 0.00 0.00 0.00 51.96 51.83 1y18 s ALA 111 Cb -0.45 -1.06 -0.05 0.00 0.00 0.00 0.00 23.12 21.55 1y18 s ALA 111 CO 0.52 -1.02 1.20 0.00 0.00 0.00 0.00 175.76 176.46 1y18 s ALA 112 N 1.93 2.76 0.56 0.00 0.00 -1.26 -0.31 121.76 125.43 1y18 s ALA 112 Ca 0.01 1.01 -0.15 0.00 0.00 0.00 0.00 51.96 52.83 1y18 s ALA 112 Cb -0.16 -3.43 -0.06 0.00 0.00 0.00 0.00 23.12 19.47 1y18 s ALA 112 CO -0.07 -0.96 1.00 -1.25 0.00 0.00 0.00 175.76 174.48 1y18 s PRO 113 N -3.04 3.80 -0.25 0.00 0.04 -1.26 -4.60 135.00 129.69 1y18 s PRO 113 Ca 0.71 0.89 -0.11 0.00 0.04 0.00 0.00 61.00 62.53 1y18 s PRO 113 Cb -0.30 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 32.08 1y18 s PRO 113 CO 0.35 -0.40 0.20 -1.12 0.04 0.00 0.00 177.00 176.07 1y18 s SER 114 N -3.45 6.13 -0.11 6.66 0.01 -0.83 -4.82 113.70 117.28 1y18 s SER 114 Ca 0.58 0.13 -0.06 0.00 1.31 0.00 0.00 55.95 57.90 1y18 s SER 114 Cb -0.11 -2.13 -0.04 0.00 0.21 0.00 0.00 66.02 63.96 1y18 s SER 114 CO 0.39 0.01 0.11 -0.69 0.41 0.00 0.00 173.24 173.48 1y18 s VAL 115 N 1.30 5.28 -0.00 3.43 1.01 -1.26 -0.55 120.40 129.62 1y18 s VAL 115 Ca 0.09 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.20 1y18 s VAL 115 Cb -0.14 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.95 1y18 s VAL 115 CO 0.07 0.61 -0.02 -0.36 0.00 0.00 0.00 175.10 175.40 1y18 s PHE 116 N -1.01 0.24 -0.08 5.22 0.08 0.16 -4.97 117.98 117.62 1y18 s PHE 116 Ca 0.15 -0.04 0.05 0.00 0.12 0.00 0.00 56.93 57.21 1y18 s PHE 116 Cb -0.12 -0.17 -0.01 0.00 -0.57 0.00 0.00 43.02 42.16 1y18 s PHE 116 CO 0.04 -0.01 -0.24 -1.50 -0.10 0.00 0.00 175.22 173.40 1y18 s ILE 117 N 0.02 2.09 -0.22 0.64 2.07 -1.26 0.59 121.20 125.12 1y18 s ILE 117 Ca 0.00 -1.03 -0.00 0.00 -1.41 0.00 0.00 60.65 58.21 1y18 s ILE 117 Cb -0.02 -1.77 0.03 0.00 0.13 0.00 0.00 42.46 40.82 1y18 s ILE 117 CO -0.00 0.56 -0.12 -0.36 -1.91 0.00 0.00 174.94 173.11 1y18 s PHE 118 N 0.08 2.98 0.78 3.50 0.08 0.21 -5.00 117.98 120.61 1y18 s PHE 118 Ca -0.11 -1.65 -0.11 0.00 0.12 0.00 0.00 56.93 55.18 1y18 s PHE 118 Cb -0.16 -1.99 0.06 0.00 -0.57 0.00 0.00 43.02 40.36 1y18 s PHE 118 CO 0.06 -0.77 1.08 -1.25 -0.10 0.00 0.00 175.22 174.25 1y18 s PRO 119 N 1.29 2.26 0.54 0.24 0.04 -1.26 -1.48 135.00 136.63 1y18 s PRO 119 Ca 0.01 0.88 -0.20 0.00 0.04 0.00 0.00 61.00 61.73 1y18 s PRO 119 Cb -0.16 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.41 1y18 s PRO 119 CO -0.08 -1.56 1.15 -1.25 0.04 0.00 0.00 177.00 175.31 1y18 s PRO 120 N -5.03 3.33 0.59 0.56 0.04 -1.22 -4.83 135.00 128.44 1y18 s PRO 120 Ca 0.60 1.68 -0.15 0.00 0.04 0.00 0.00 61.00 63.17 1y18 s PRO 120 Cb -0.15 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 1y18 s PRO 120 CO 0.55 -0.88 1.04 -1.54 0.04 0.00 0.00 177.00 176.21 1y18 s SER 121 N -1.67 5.95 0.23 6.66 1.04 -1.26 -4.96 113.70 119.69 1y18 s SER 121 Ca 0.72 1.72 -0.04 0.00 0.48 0.00 0.00 55.95 58.84 1y18 s SER 121 Cb -0.26 -2.52 0.23 0.00 0.10 0.00 0.00 66.02 63.57 1y18 s SER 121 CO 0.29 -1.05 1.66 0.44 0.98 0.00 0.00 173.24 175.57 1y18 h ASP 122 N 0.38 0.77 -0.77 7.02 3.32 -2.00 -2.51 116.42 122.63 1y18 h ASP 122 Ca -0.46 -0.25 0.04 0.00 0.02 0.00 0.00 57.03 56.37 1y18 h ASP 122 Cb 1.21 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 40.50 1y18 h ASP 122 CO 0.58 0.94 0.48 -0.08 -1.72 0.00 0.00 179.24 179.44 1y18 h GLU 123 N 0.68 0.89 -0.35 3.56 4.81 -2.00 -1.64 114.58 120.53 1y18 h GLU 123 Ca 0.10 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.21 1y18 h GLU 123 Cb 0.66 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 1y18 h GLU 123 CO 0.05 0.59 -0.08 0.37 -0.73 0.00 0.00 179.01 179.20 1y18 h GLN 124 N 0.91 0.59 -0.37 1.92 4.15 -1.80 -2.74 115.11 117.77 1y18 h GLN 124 Ca 0.32 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.56 1y18 h GLN 124 Cb 0.07 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 1y18 h GLN 124 CO -0.13 0.67 0.19 -0.07 -1.93 0.00 0.00 178.83 177.55 1y18 h LEU 125 N 0.55 0.46 -1.71 -2.39 3.38 -0.89 -1.90 115.31 112.81 1y18 h LEU 125 Ca 0.10 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.10 1y18 h LEU 125 Cb 0.47 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1y18 h LEU 125 CO 0.03 0.39 0.29 0.11 0.09 0.00 0.00 178.44 179.35 1y18 h LYS 126 N 0.52 0.35 0.00 1.13 1.57 -1.19 0.54 116.57 119.49 1y18 h LYS 126 Ca 0.13 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1y18 h LYS 126 Cb 0.05 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1y18 h LYS 126 CO -0.02 0.23 0.00 -1.13 -0.57 0.00 0.00 179.45 177.96 1y18 n SER 127 N -4.48 0.00 0.00 0.86 3.41 -0.71 -4.87 113.62 107.84 1y18 n SER 127 Ca 0.06 -0.56 0.00 0.00 -0.26 0.00 0.00 58.87 58.10 1y18 n SER 127 Cb 0.24 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 1y18 n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1y18 n GLY 128 N 0.51 1.37 3.46 5.00 0.00 0.18 -5.04 105.19 110.68 1y18 n GLY 128 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 1y18 n GLY 128 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1y18 s THR 129 N -2.72 2.53 -0.10 2.61 2.01 -1.25 0.12 115.64 118.84 1y18 s THR 129 Ca 0.00 -2.09 -0.01 0.00 0.31 0.00 0.00 61.69 59.90 1y18 s THR 129 Cb 0.00 -2.26 0.03 0.00 0.01 0.00 0.00 72.50 70.28 1y18 s THR 129 CO 0.00 -0.21 -0.05 0.00 -0.69 0.00 0.00 174.62 173.67 1y18 s ALA 130 N -1.94 1.13 -0.22 7.40 0.00 0.60 -3.58 121.76 125.14 1y18 s ALA 130 Ca 0.24 -0.41 -0.05 0.00 0.00 0.00 0.00 51.96 51.74 1y18 s ALA 130 Cb -0.07 -0.85 -0.02 0.00 0.00 0.00 0.00 23.12 22.17 1y18 s ALA 130 CO 0.12 -0.42 0.01 -1.12 0.00 0.00 0.00 175.76 174.35 1y18 s SER 131 N 1.78 4.72 -0.21 0.00 0.01 -1.26 -0.98 113.70 117.75 1y18 s SER 131 Ca 0.05 -0.28 -0.06 0.00 1.31 0.00 0.00 55.95 56.96 1y18 s SER 131 Cb -0.12 -1.82 -0.03 0.00 0.21 0.00 0.00 66.02 64.25 1y18 s SER 131 CO -0.07 -0.00 0.04 -0.69 0.41 0.00 0.00 173.24 172.93 1y18 s VAL 132 N 1.39 4.31 -0.09 3.43 1.01 0.78 -3.41 120.40 127.82 1y18 s VAL 132 Ca 0.05 -0.19 -0.00 0.00 0.00 0.00 0.00 61.98 61.83 1y18 s VAL 132 Cb -0.15 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 1y18 s VAL 132 CO 0.00 0.41 -0.06 -0.69 0.00 0.00 0.00 175.10 174.76 1y18 s VAL 133 N 0.99 3.75 -0.13 2.92 1.01 -0.55 -0.22 120.40 128.18 1y18 s VAL 133 Ca 0.03 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.59 1y18 s VAL 133 Cb -0.14 -2.56 0.01 0.00 0.00 0.00 0.00 36.38 33.69 1y18 s VAL 133 CO 0.02 0.57 -0.19 0.00 0.00 0.00 0.00 175.10 175.50 1y18 s LEU 135 N 0.87 2.96 -0.31 0.00 2.96 0.20 -0.47 118.68 124.89 1y18 s LEU 135 Ca -0.07 -0.33 -0.09 0.00 -0.22 0.00 0.00 54.13 53.42 1y18 s LEU 135 Cb -0.15 -1.74 -0.00 0.00 0.50 0.00 0.00 46.19 44.80 1y18 s LEU 135 CO -0.01 0.03 0.13 -0.76 -1.32 0.00 0.00 176.35 174.42 1y18 s LEU 136 N 1.16 4.06 -0.11 -0.68 1.02 0.59 -0.67 118.68 124.05 1y18 s LEU 136 Ca 0.02 -0.60 -0.02 0.00 0.02 0.00 0.00 54.13 53.55 1y18 s LEU 136 Cb -0.14 -1.97 -0.03 0.00 0.02 0.00 0.00 46.19 44.07 1y18 s LEU 136 CO -0.01 -0.20 -0.04 0.21 0.02 0.00 0.00 176.35 176.33 1y18 s ASN 137 N 1.57 4.87 -0.57 2.29 2.47 0.29 -0.47 114.94 125.40 1y18 s ASN 137 Ca 0.04 -0.02 -0.21 0.00 0.42 0.00 0.00 52.86 53.09 1y18 s ASN 137 Cb -0.17 -1.52 0.03 0.00 -1.45 0.00 0.00 41.25 38.14 1y18 s ASN 137 CO 0.05 0.28 0.59 0.59 -3.72 0.00 0.00 177.10 174.89 1y18 n ASN 138 N 2.77 -4.74 -4.51 -4.21 3.02 -0.94 -1.97 115.26 104.68 1y18 n ASN 138 Ca -0.18 -0.48 -0.24 0.00 -0.03 0.00 0.00 54.58 53.65 1y18 n ASN 138 Cb 0.53 -1.46 -0.11 0.00 -0.61 0.00 0.00 39.78 38.13 1y18 n ASN 138 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1y18 s PHE 139 N -2.02 2.19 -0.28 3.10 -0.71 0.10 -4.60 117.98 115.76 1y18 s PHE 139 Ca 0.20 -0.81 -0.23 0.00 -1.04 0.00 0.00 56.93 55.06 1y18 s PHE 139 Cb -0.02 -1.46 0.10 0.00 -1.21 0.00 0.00 43.02 40.43 1y18 s PHE 139 CO 0.82 0.22 0.87 -0.47 -1.34 0.00 0.00 175.22 175.32 1y18 s TYR 140 N -3.02 -0.67 0.62 3.49 6.14 0.57 -0.89 117.35 123.59 1y18 s TYR 140 Ca 0.35 1.56 -0.10 0.00 0.64 0.00 0.00 57.07 59.52 1y18 s TYR 140 Cb 0.08 0.36 0.15 0.00 0.42 0.00 0.00 41.96 42.98 1y18 s TYR 140 CO 0.16 -0.33 0.54 -0.35 0.64 0.00 0.00 175.55 176.21 1y18 n PRO 141 N 2.81 -2.17 0.11 4.97 -0.04 -1.26 -0.48 135.00 138.94 1y18 n PRO 141 Ca -0.15 -0.86 -0.03 0.00 -0.04 0.00 0.00 63.50 62.42 1y18 n PRO 141 Cb 0.56 -0.82 0.16 0.00 -0.04 0.00 0.00 33.50 33.35 1y18 n PRO 141 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1y18 h ARG 142 N 0.00 0.15 -6.17 0.54 1.12 -1.98 -3.44 114.38 104.60 1y18 h ARG 142 Ca -0.20 -0.10 -0.56 0.00 -1.11 0.00 0.00 59.98 58.00 1y18 h ARG 142 Cb 0.63 0.01 0.01 0.00 -0.01 0.00 0.00 29.97 30.61 1y18 h ARG 142 CO 0.13 0.69 1.37 -1.21 -3.11 0.00 0.00 179.97 177.84 1y18 s GLU 143 N -3.77 3.61 -0.13 0.20 8.01 -1.26 -4.93 118.70 120.43 1y18 s GLU 143 Ca -0.03 2.30 -0.09 0.00 0.01 0.00 0.00 54.97 57.15 1y18 s GLU 143 Cb 0.12 -4.27 0.04 0.00 -4.31 0.00 0.00 34.13 25.71 1y18 s GLU 143 CO 0.78 -1.56 0.32 0.00 0.01 0.00 0.00 175.26 174.82 1y18 s ALA 144 N 6.46 -0.79 -0.20 5.21 0.00 -1.26 -4.53 121.76 126.65 1y18 s ALA 144 Ca 0.94 1.07 -0.04 0.00 0.00 0.00 0.00 51.96 53.93 1y18 s ALA 144 Cb -0.37 -0.64 -0.02 0.00 0.00 0.00 0.00 23.12 22.09 1y18 s ALA 144 CO 0.38 -0.19 -0.03 0.21 0.00 0.00 0.00 175.76 176.13 1y18 s LYS 145 N 0.72 3.49 -0.20 0.00 2.20 -0.38 -4.97 119.74 120.59 1y18 s LYS 145 Ca -0.04 -0.58 -0.02 0.00 -0.36 0.00 0.00 55.97 54.96 1y18 s LYS 145 Cb -0.06 -2.99 0.00 0.00 -1.51 0.00 0.00 37.83 33.27 1y18 s LYS 145 CO -0.05 -0.04 -0.10 0.08 -0.36 0.00 0.00 175.35 174.88 1y18 s VAL 146 N 1.10 2.90 -0.09 4.02 1.01 -1.26 -0.93 120.40 127.15 1y18 s VAL 146 Ca 0.02 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.37 1y18 s VAL 146 Cb -0.15 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.93 1y18 s VAL 146 CO 0.00 0.47 -0.17 -1.10 0.00 0.00 0.00 175.10 174.30 1y18 s GLN 147 N 1.39 2.97 -0.02 2.72 -0.21 0.67 -4.95 119.66 122.22 1y18 s GLN 147 Ca 0.05 -0.75 -0.10 0.00 0.02 0.00 0.00 55.36 54.58 1y18 s GLN 147 Cb -0.14 -2.45 -0.05 0.00 1.00 0.00 0.00 33.01 31.38 1y18 s GLN 147 CO -0.06 0.35 0.31 -1.58 -2.12 0.00 0.00 175.29 172.19 1y18 s TRP 148 N -0.03 3.64 -0.05 0.91 0.52 -1.26 -0.14 118.94 122.53 1y18 s TRP 148 Ca -0.05 0.76 -0.01 0.00 0.02 0.00 0.00 56.10 56.83 1y18 s TRP 148 Cb -0.14 -2.12 0.03 0.00 -1.15 0.00 0.00 33.47 30.08 1y18 s TRP 148 CO 0.04 0.64 0.02 0.15 0.02 0.00 0.00 176.95 177.82 1y18 s LYS 149 N -1.33 0.38 -0.35 4.98 1.02 -0.67 -0.78 119.74 122.98 1y18 s LYS 149 Ca 0.24 0.17 -0.05 0.00 0.02 0.00 0.00 55.97 56.34 1y18 s LYS 149 Cb -0.14 -0.76 0.05 0.00 -0.52 0.00 0.00 37.83 36.46 1y18 s LYS 149 CO 0.12 -0.27 0.12 0.08 -0.92 0.00 0.00 175.35 174.48 1y18 s VAL 150 N 1.82 3.63 -1.25 3.17 1.01 -0.89 -1.57 120.40 126.32 1y18 s VAL 150 Ca 0.02 -1.32 -0.02 0.00 0.00 0.00 0.00 61.98 60.65 1y18 s VAL 150 Cb -0.12 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.12 1y18 s VAL 150 CO -0.04 -0.27 0.78 0.47 0.00 0.00 0.00 175.10 176.04 1y18 n ASP 151 N 4.76 -2.16 -1.71 3.32 8.00 0.96 -1.95 116.55 127.76 1y18 n ASP 151 Ca -0.11 -0.79 -0.21 0.00 0.71 0.00 0.00 54.79 54.39 1y18 n ASP 151 Cb 0.44 -4.29 -0.08 0.00 -0.02 0.00 0.00 41.12 37.17 1y18 n ASP 151 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1y18 n ASN 152 N -3.05 -5.48 -4.27 -2.24 4.13 -1.26 -4.96 115.26 98.13 1y18 n ASN 152 Ca -0.26 0.43 -0.40 0.00 1.68 0.00 0.00 54.58 56.03 1y18 n ASN 152 Cb 0.66 -4.80 -0.10 0.00 -1.54 0.00 0.00 39.78 34.00 1y18 n ASN 152 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1y18 s ALA 153 N -2.78 3.28 -0.06 5.41 0.00 -0.82 -5.05 121.76 121.73 1y18 s ALA 153 Ca 0.00 -2.13 -0.32 0.00 0.00 0.00 0.00 51.96 49.52 1y18 s ALA 153 Cb 0.00 -2.63 -0.10 0.00 0.00 0.00 0.00 23.12 20.39 1y18 s ALA 153 CO 0.00 -1.63 1.99 -0.11 0.00 0.00 0.00 175.76 176.00 1y18 n LEU 154 N 4.91 3.69 -4.81 0.00 7.94 -1.26 -2.09 117.00 125.38 1y18 n LEU 154 Ca -0.10 0.81 -0.29 0.00 -1.11 0.00 0.00 56.01 55.32 1y18 n LEU 154 Cb 0.43 -1.46 0.12 0.00 0.53 0.00 0.00 43.42 43.04 1y18 n LEU 154 CO 0.38 -0.05 0.73 -1.10 -1.11 0.00 0.00 177.39 176.24 1y18 s GLN 155 N 4.66 1.52 -0.28 1.96 -1.52 0.04 -4.98 119.66 121.05 1y18 s GLN 155 Ca 0.93 0.35 -0.22 0.00 -1.95 0.00 0.00 55.36 54.47 1y18 s GLN 155 Cb -0.54 -1.88 0.13 0.00 -0.22 0.00 0.00 33.01 30.51 1y18 s GLN 155 CO 0.45 -1.95 1.03 -1.54 -0.25 0.00 0.00 175.29 173.03 1y18 s SER 156 N -4.09 -0.46 0.00 5.90 1.04 -1.26 -4.76 113.70 110.08 1y18 s SER 156 Ca 0.63 0.83 0.00 0.00 0.48 0.00 0.00 55.95 57.88 1y18 s SER 156 Cb -0.14 0.95 0.00 0.00 0.10 0.00 0.00 66.02 66.93 1y18 s SER 156 CO 0.53 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 175.22 1y18 n GLY 157 N 2.68 0.68 0.92 7.32 0.00 -1.26 -4.86 105.19 110.66 1y18 n GLY 157 Ca -0.14 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.91 1y18 n GLY 157 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1y18 n ASN 158 N -0.06 1.79 -3.80 1.61 0.23 -1.26 -5.03 115.26 108.74 1y18 n ASN 158 Ca 0.00 -3.49 -0.13 0.00 -0.53 0.00 0.00 54.58 50.44 1y18 n ASN 158 Cb 0.03 -0.47 -0.12 0.00 -2.08 0.00 0.00 39.78 37.14 1y18 n ASN 158 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1y18 s SER 159 N -3.03 -0.21 0.07 0.53 1.04 -1.26 -1.79 113.70 109.04 1y18 s SER 159 Ca 0.38 0.39 0.08 0.00 0.48 0.00 0.00 55.95 57.28 1y18 s SER 159 Cb 0.38 0.43 -0.03 0.00 0.10 0.00 0.00 66.02 66.89 1y18 s SER 159 CO -0.08 -0.10 -0.22 -1.10 0.98 0.00 0.00 173.24 172.72 1y18 s GLN 160 N -0.02 1.37 0.20 4.02 -0.21 -0.78 -4.93 119.66 119.31 1y18 s GLN 160 Ca -0.01 -1.05 0.10 0.00 0.02 0.00 0.00 55.36 54.42 1y18 s GLN 160 Cb -0.02 -1.56 -0.04 0.00 1.00 0.00 0.00 33.01 32.39 1y18 s GLN 160 CO 0.00 0.39 -0.21 -1.21 -2.12 0.00 0.00 175.29 172.14 1y18 s GLU 161 N -1.44 1.47 -0.00 2.91 2.02 -1.26 -0.20 118.70 122.20 1y18 s GLU 161 Ca 0.08 -1.55 0.01 0.00 0.02 0.00 0.00 54.97 53.54 1y18 s GLU 161 Cb -0.09 -1.64 -0.00 0.00 0.10 0.00 0.00 34.13 32.50 1y18 s GLU 161 CO 0.03 0.33 -0.04 0.45 0.02 0.00 0.00 175.26 176.05 1y18 s SER 162 N -2.88 0.46 -0.01 -0.19 0.15 -0.04 -4.97 113.70 106.21 1y18 s SER 162 Ca 0.21 -0.08 0.05 0.00 0.70 0.00 0.00 55.95 56.83 1y18 s SER 162 Cb -0.06 -0.05 -0.01 0.00 -1.71 0.00 0.00 66.02 64.19 1y18 s SER 162 CO 0.10 0.04 -0.16 -0.69 1.20 0.00 0.00 173.24 173.72 1y18 s VAL 163 N -0.13 1.30 0.80 4.45 1.01 -1.26 -0.84 120.40 125.73 1y18 s VAL 163 Ca 0.01 -0.70 -0.10 0.00 0.00 0.00 0.00 61.98 61.19 1y18 s VAL 163 Cb -0.02 -1.09 0.11 0.00 0.00 0.00 0.00 36.38 35.38 1y18 s VAL 163 CO -0.00 0.37 1.13 0.42 0.00 0.00 0.00 175.10 177.02 1y18 s THR 164 N -0.36 2.12 0.54 3.92 -4.23 -0.03 -4.99 115.64 112.61 1y18 s THR 164 Ca 0.06 -0.18 -0.17 0.00 -1.18 0.00 0.00 61.69 60.22 1y18 s THR 164 Cb -0.07 -2.95 -0.06 0.00 1.34 0.00 0.00 72.50 70.77 1y18 s THR 164 CO -0.01 0.00 1.02 -1.61 -0.54 0.00 0.00 174.62 173.49 1y18 s GLU 165 N -5.48 3.67 -0.02 3.99 0.41 -1.26 -4.58 118.70 115.43 1y18 s GLU 165 Ca 0.65 1.12 -0.34 0.00 -0.41 0.00 0.00 54.97 55.98 1y18 s GLU 165 Cb -0.08 -2.09 -0.12 0.00 -1.78 0.00 0.00 34.13 30.06 1y18 s GLU 165 CO 0.48 -0.51 1.80 0.94 -0.49 0.00 0.00 175.26 177.47 1y18 n GLN 166 N -1.67 2.18 -1.72 1.61 7.27 -1.26 -4.76 117.38 119.04 1y18 n GLN 166 Ca 0.08 0.80 -0.43 0.00 0.07 0.00 0.00 57.00 57.52 1y18 n GLN 166 Cb 0.53 -2.62 -0.03 0.00 2.41 0.00 0.00 30.24 30.53 1y18 n GLN 166 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1y18 n ASP 167 N 5.75 3.79 0.07 1.69 -0.08 0.99 -4.85 116.55 123.90 1y18 n ASP 167 Ca 0.21 1.09 0.03 0.00 -1.51 0.00 0.00 54.79 54.60 1y18 n ASP 167 Cb 0.29 -1.55 0.40 0.00 2.34 0.00 0.00 41.12 42.60 1y18 n ASP 167 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1y18 h SER 168 N 6.08 0.33 0.00 1.67 4.64 -1.90 0.16 113.55 124.53 1y18 h SER 168 Ca -0.44 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1y18 h SER 168 Cb 1.22 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1y18 h SER 168 CO 0.90 0.39 0.00 0.29 -0.87 0.00 0.00 176.83 177.54 1y18 n LYS 169 N -4.35 0.00 -0.06 4.77 4.76 -1.26 -4.45 118.16 117.58 1y18 n LYS 169 Ca 0.01 0.14 0.10 0.00 -2.87 0.00 0.00 58.31 55.68 1y18 n LYS 169 Cb 0.20 -0.72 0.41 0.00 -1.84 0.00 0.00 35.03 33.07 1y18 n LYS 169 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1y18 n ASP 170 N -0.91 1.10 -2.38 4.39 5.68 -1.26 -4.92 116.55 118.26 1y18 n ASP 170 Ca 0.00 -1.64 -0.17 0.00 -0.50 0.00 0.00 54.79 52.49 1y18 n ASP 170 Cb 0.00 -0.07 -0.01 0.00 -1.14 0.00 0.00 41.12 39.89 1y18 n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1y18 n SER 171 N -0.04 -4.88 -4.97 -1.12 7.64 0.55 -4.96 113.62 105.84 1y18 n SER 171 Ca 0.15 0.11 -0.19 0.00 1.01 0.00 0.00 58.87 59.95 1y18 n SER 171 Cb 0.23 -4.11 0.00 0.00 -1.01 0.00 0.00 64.21 59.33 1y18 n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1y18 s THR 172 N -2.81 2.74 0.25 0.44 -4.23 -1.25 -4.60 115.64 106.17 1y18 s THR 172 Ca 0.00 -1.12 0.11 0.00 -1.18 0.00 0.00 61.69 59.51 1y18 s THR 172 Cb 0.00 -2.86 -0.05 0.00 1.34 0.00 0.00 72.50 70.93 1y18 s THR 172 CO 0.00 0.00 -0.18 -0.31 -0.54 0.00 0.00 174.62 173.59 1y18 s TYR 173 N -2.44 2.36 -0.02 3.99 2.02 -0.07 -0.01 117.35 123.17 1y18 s TYR 173 Ca 0.53 -0.32 0.02 0.00 -0.37 0.00 0.00 57.07 56.93 1y18 s TYR 173 Cb -0.07 -1.07 0.01 0.00 -0.40 0.00 0.00 41.96 40.42 1y18 s TYR 173 CO 0.32 0.64 -0.07 -1.12 -1.57 0.00 0.00 175.55 173.75 1y18 s SER 174 N -3.26 0.97 0.09 2.29 0.01 -1.26 -0.72 113.70 111.82 1y18 s SER 174 Ca 0.27 -0.15 0.05 0.00 1.31 0.00 0.00 55.95 57.43 1y18 s SER 174 Cb -0.06 -0.26 -0.03 0.00 0.21 0.00 0.00 66.02 65.87 1y18 s SER 174 CO 0.14 0.04 -0.12 -0.22 0.41 0.00 0.00 173.24 173.49 1y18 s LEU 175 N 0.25 2.35 -0.01 2.44 0.20 0.38 -0.85 118.68 123.44 1y18 s LEU 175 Ca -0.03 -0.73 0.02 0.00 0.69 0.00 0.00 54.13 54.07 1y18 s LEU 175 Cb -0.08 -0.44 -0.00 0.00 -0.43 0.00 0.00 46.19 45.24 1y18 s LEU 175 CO 0.00 -0.16 -0.06 -0.94 -0.29 0.00 0.00 176.35 174.90 1y18 s SER 176 N -2.17 0.73 -0.08 3.68 1.04 -0.02 -0.30 113.70 116.58 1y18 s SER 176 Ca 0.03 -0.11 0.04 0.00 0.48 0.00 0.00 55.95 56.39 1y18 s SER 176 Cb -0.06 -0.12 -0.00 0.00 0.10 0.00 0.00 66.02 65.94 1y18 s SER 176 CO 0.02 0.06 -0.22 -0.55 0.98 0.00 0.00 173.24 173.53 1y18 s SER 177 N -0.00 2.80 -0.19 7.02 0.15 0.38 -0.87 113.70 122.99 1y18 s SER 177 Ca 0.01 -0.49 -0.00 0.00 0.70 0.00 0.00 55.95 56.16 1y18 s SER 177 Cb -0.04 -1.14 0.01 0.00 -1.71 0.00 0.00 66.02 63.14 1y18 s SER 177 CO -0.00 0.16 -0.16 -0.89 1.20 0.00 0.00 173.24 173.54 1y18 s THR 178 N 0.27 2.36 -0.22 6.45 2.01 0.72 -0.34 115.64 126.89 1y18 s THR 178 Ca -0.14 -0.84 -0.16 0.00 0.31 0.00 0.00 61.69 60.86 1y18 s THR 178 Cb -0.16 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.29 1y18 s THR 178 CO 0.07 0.51 0.40 -0.22 -0.69 0.00 0.00 174.62 174.68 1y18 s LEU 179 N 1.33 4.13 -0.17 4.42 2.96 0.69 -1.86 118.68 130.18 1y18 s LEU 179 Ca 0.05 0.47 -0.02 0.00 -0.22 0.00 0.00 54.13 54.42 1y18 s LEU 179 Cb -0.13 -2.50 -0.01 0.00 0.50 0.00 0.00 46.19 44.05 1y18 s LEU 179 CO -0.11 -0.11 -0.10 -0.89 -1.32 0.00 0.00 176.35 173.82 1y18 s THR 180 N 1.51 3.05 0.12 3.68 2.01 -0.74 -0.15 115.64 125.12 1y18 s THR 180 Ca 0.18 -0.63 0.04 0.00 0.31 0.00 0.00 61.69 61.60 1y18 s THR 180 Cb -0.15 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 69.99 1y18 s THR 180 CO 0.08 0.48 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.63 1y18 s LEU 181 N 0.95 2.47 0.53 4.42 1.43 -0.15 -4.89 118.68 123.43 1y18 s LEU 181 Ca -0.02 -0.91 -0.19 0.00 -1.03 0.00 0.00 54.13 51.98 1y18 s LEU 181 Cb -0.15 -0.34 -0.07 0.00 0.03 0.00 0.00 46.19 45.66 1y18 s LEU 181 CO -0.01 -0.29 1.07 -0.94 0.23 0.00 0.00 176.35 176.41 1y18 s SER 182 N -2.81 6.03 0.42 2.29 1.04 -1.26 -0.29 113.70 119.11 1y18 s SER 182 Ca 0.11 1.98 0.16 0.00 0.48 0.00 0.00 55.95 58.68 1y18 s SER 182 Cb -0.00 -2.56 1.04 0.00 0.10 0.00 0.00 66.02 64.59 1y18 s SER 182 CO 0.00 -1.00 1.89 0.50 0.98 0.00 0.00 173.24 175.62 1y18 h LYS 183 N 1.20 0.43 0.48 4.02 3.64 -0.59 -1.61 116.57 124.15 1y18 h LYS 183 Ca -0.49 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 58.84 1y18 h LYS 183 Cb 1.23 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 1y18 h LYS 183 CO 0.58 0.29 -0.33 0.00 -2.27 0.00 0.00 179.45 177.71 1y18 h ALA 184 N 1.63 -1.12 -0.89 5.00 0.00 -1.90 -2.01 119.26 119.97 1y18 h ALA 184 Ca 0.41 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.27 1y18 h ALA 184 Cb 0.95 0.48 -0.08 0.00 0.00 0.00 0.00 17.79 19.14 1y18 h ALA 184 CO -0.15 -1.10 0.53 -0.44 0.00 0.00 0.00 179.25 178.09 1y18 h ASP 185 N -0.78 0.77 -0.91 0.00 3.32 -1.81 -1.52 116.42 115.50 1y18 h ASP 185 Ca -0.06 0.05 0.10 0.00 0.02 0.00 0.00 57.03 57.13 1y18 h ASP 185 Cb 0.63 -0.11 -0.08 0.00 0.22 0.00 0.00 39.33 40.00 1y18 h ASP 185 CO 0.04 0.44 0.55 0.22 -1.72 0.00 0.00 179.24 178.77 1y18 h TYR 186 N 0.88 1.00 -0.00 4.55 3.20 -1.15 0.94 116.97 126.39 1y18 h TYR 186 Ca 0.43 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.33 1y18 h TYR 186 Cb 0.39 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.34 1y18 h TYR 186 CO -0.04 0.43 -0.04 0.39 -1.64 0.00 0.00 178.16 177.26 1y18 n GLU 187 N -4.66 0.81 0.00 1.82 1.02 -0.61 -3.06 120.64 115.96 1y18 n GLU 187 Ca 0.15 -0.17 0.15 0.00 -0.02 0.00 0.00 57.16 57.27 1y18 n GLU 187 Cb 0.28 -1.50 0.70 0.00 -0.02 0.00 0.00 31.44 30.90 1y18 n GLU 187 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1y18 n LYS 188 N -0.94 1.39 -4.16 3.49 5.02 0.32 -4.90 118.16 118.38 1y18 n LYS 188 Ca 0.18 -0.57 -0.10 0.00 -2.02 0.00 0.00 58.31 55.80 1y18 n LYS 188 Cb 0.22 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 33.65 1y18 n LYS 188 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1y18 s HIS 189 N -2.00 0.90 -0.01 2.13 3.76 -1.17 -5.09 115.29 113.81 1y18 s HIS 189 Ca 0.42 -1.22 -0.06 0.00 -0.15 0.00 0.00 55.06 54.06 1y18 s HIS 189 Cb 0.21 -0.50 -0.02 0.00 1.11 0.00 0.00 32.58 33.38 1y18 s HIS 189 CO 0.35 -0.49 -0.11 1.17 -0.85 0.00 0.00 174.74 174.80 1y18 n LYS 190 N -0.11 0.18 -2.99 1.40 4.81 -1.26 -4.70 118.16 115.48 1y18 n LYS 190 Ca -0.05 0.07 -0.41 0.00 -0.87 0.00 0.00 58.31 57.05 1y18 n LYS 190 Cb 0.64 -0.81 -0.05 0.00 0.02 0.00 0.00 35.03 34.83 1y18 n LYS 190 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1y18 s VAL 191 N -2.27 4.96 -0.24 3.15 1.01 -1.26 -0.12 120.40 125.62 1y18 s VAL 191 Ca -0.10 1.46 0.02 0.00 0.00 0.00 0.00 61.98 63.37 1y18 s VAL 191 Cb 0.02 -4.06 0.05 0.00 0.00 0.00 0.00 36.38 32.39 1y18 s VAL 191 CO 0.14 0.10 -0.12 -0.31 0.00 0.00 0.00 175.10 174.92 1y18 s TYR 192 N 1.76 3.10 0.08 5.22 2.02 -0.26 -0.03 117.35 129.24 1y18 s TYR 192 Ca 0.35 -2.17 0.07 0.00 -0.37 0.00 0.00 57.07 54.96 1y18 s TYR 192 Cb -0.17 -1.89 -0.03 0.00 -0.40 0.00 0.00 41.96 39.47 1y18 s TYR 192 CO 0.13 -0.86 -0.18 0.00 -1.57 0.00 0.00 175.55 173.07 1y18 s ALA 193 N 1.16 1.53 -0.22 3.71 0.00 -0.61 -1.28 121.76 126.06 1y18 s ALA 193 Ca -0.07 -1.11 -0.02 0.00 0.00 0.00 0.00 51.96 50.77 1y18 s ALA 193 Cb -0.19 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.75 1y18 s ALA 193 CO -0.06 0.29 -0.09 0.00 0.00 0.00 0.00 175.76 175.89 1y18 s GLU 195 N 1.37 3.63 -0.12 0.00 2.12 0.80 -1.50 118.70 125.01 1y18 s GLU 195 Ca 0.03 -0.50 -0.01 0.00 0.36 0.00 0.00 54.97 54.86 1y18 s GLU 195 Cb -0.15 -3.19 -0.02 0.00 0.26 0.00 0.00 34.13 31.03 1y18 s GLU 195 CO -0.06 -0.08 -0.10 0.08 -0.54 0.00 0.00 175.26 174.56 1y18 s VAL 196 N 1.29 3.38 -0.08 3.70 1.01 0.13 -0.24 120.40 129.58 1y18 s VAL 196 Ca 0.04 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.51 1y18 s VAL 196 Cb -0.15 -2.42 -0.00 0.00 0.00 0.00 0.00 36.38 33.81 1y18 s VAL 196 CO 0.02 0.53 -0.22 0.42 0.00 0.00 0.00 175.10 175.85 1y18 s THR 197 N 0.06 1.88 -0.03 3.92 -4.23 -0.11 -1.22 115.64 115.91 1y18 s THR 197 Ca -0.03 -0.94 -0.25 0.00 -1.18 0.00 0.00 61.69 59.29 1y18 s THR 197 Cb -0.14 -1.62 0.05 0.00 1.34 0.00 0.00 72.50 72.13 1y18 s THR 197 CO 0.04 0.52 0.54 -2.28 -0.54 0.00 0.00 174.62 172.90 1y18 s HIS 198 N 0.21 -0.47 0.38 3.99 2.46 -1.26 -1.25 115.29 119.34 1y18 s HIS 198 Ca -0.13 0.78 0.16 0.00 0.47 0.00 0.00 55.06 56.35 1y18 s HIS 198 Cb -0.16 0.29 1.05 0.00 -0.13 0.00 0.00 32.58 33.63 1y18 s HIS 198 CO 0.06 -0.53 1.77 0.37 -2.47 0.00 0.00 174.74 173.94 1y18 h GLN 199 N 3.30 0.43 0.00 2.88 4.15 -1.92 0.23 115.11 124.17 1y18 h GLN 199 Ca -0.28 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.11 1y18 h GLN 199 Cb 1.16 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.75 1y18 h GLN 199 CO 0.40 0.29 0.00 0.41 -1.93 0.00 0.00 178.83 177.99 1y18 n GLY 200 N -1.44 -0.83 3.23 2.39 0.00 -1.26 -4.70 105.19 102.58 1y18 n GLY 200 Ca 0.25 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1y18 n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y18 s LEU 201 N -1.68 2.44 0.21 0.99 1.43 0.80 -4.50 118.68 118.36 1y18 s LEU 201 Ca 0.27 -0.51 -0.10 0.00 -1.03 0.00 0.00 54.13 52.76 1y18 s LEU 201 Cb 0.12 -1.57 0.21 0.00 0.03 0.00 0.00 46.19 44.98 1y18 s LEU 201 CO 0.21 0.04 1.83 0.28 0.23 0.00 0.00 176.35 178.94 1y18 h SER 202 N 7.66 0.65 -4.91 2.29 0.02 -1.84 -3.43 113.55 113.99 1y18 h SER 202 Ca -0.38 0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 60.38 1y18 h SER 202 Cb 1.17 -0.12 -0.21 0.00 0.14 0.00 0.00 62.40 63.37 1y18 h SER 202 CO 0.60 0.44 -0.71 -0.94 -1.14 0.00 0.00 176.83 175.08 1y18 s SER 203 N -5.68 0.37 0.27 3.07 1.04 -1.26 -5.12 113.70 106.38 1y18 s SER 203 Ca -0.13 -0.50 -0.30 0.00 0.48 0.00 0.00 55.95 55.50 1y18 s SER 203 Cb 0.16 0.08 -0.14 0.00 0.10 0.00 0.00 66.02 66.22 1y18 s SER 203 CO 0.76 -0.27 1.24 -0.81 0.98 0.00 0.00 173.24 175.14 1y18 n PRO 204 N 1.60 1.76 -3.63 4.02 -0.04 -1.26 -4.96 135.00 132.49 1y18 n PRO 204 Ca -0.24 0.62 -0.37 0.00 -0.04 0.00 0.00 63.50 63.47 1y18 n PRO 204 Cb 0.55 -2.16 -0.06 0.00 -0.04 0.00 0.00 33.50 31.79 1y18 n PRO 204 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1y18 s VAL 205 N -0.61 5.26 -0.11 0.52 1.01 -0.36 -4.88 120.40 121.22 1y18 s VAL 205 Ca 0.63 0.56 0.02 0.00 0.00 0.00 0.00 61.98 63.19 1y18 s VAL 205 Cb -0.67 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.13 1y18 s VAL 205 CO 0.56 0.53 -0.18 -0.89 0.00 0.00 0.00 175.10 175.12 1y18 s THR 206 N -0.60 1.73 -0.10 3.92 2.01 -1.26 0.17 115.64 121.52 1y18 s THR 206 Ca 0.19 -0.79 0.02 0.00 0.31 0.00 0.00 61.69 61.42 1y18 s THR 206 Cb -0.14 -1.55 -0.01 0.00 0.01 0.00 0.00 72.50 70.81 1y18 s THR 206 CO 0.08 0.49 -0.18 -0.54 -0.69 0.00 0.00 174.62 173.77 1y18 s LYS 207 N 0.82 3.04 0.32 4.92 -0.14 -0.56 -4.94 119.74 123.20 1y18 s LYS 207 Ca -0.09 -0.77 -0.07 0.00 -1.36 0.00 0.00 55.97 53.67 1y18 s LYS 207 Cb -0.16 -2.43 0.01 0.00 -1.68 0.00 0.00 37.83 33.57 1y18 s LYS 207 CO 0.00 0.29 0.52 -1.54 -0.76 0.00 0.00 175.35 173.85 1y18 s SER 208 N 0.12 0.49 0.03 2.83 1.04 -1.26 -0.18 113.70 116.76 1y18 s SER 208 Ca -0.09 -1.28 -0.26 0.00 0.48 0.00 0.00 55.95 54.81 1y18 s SER 208 Cb -0.15 0.66 0.06 0.00 0.10 0.00 0.00 66.02 66.69 1y18 s SER 208 CO 0.06 -1.30 0.59 0.72 0.98 0.00 0.00 173.24 174.28 1y18 s PHE 209 N -3.23 -0.53 -0.25 5.02 -0.12 -0.40 -4.99 117.98 113.47 1y18 s PHE 209 Ca 0.26 0.69 -0.11 0.00 -0.05 0.00 0.00 56.93 57.72 1y18 s PHE 209 Cb -0.01 0.41 -0.05 0.00 -0.63 0.00 0.00 43.02 42.74 1y18 s PHE 209 CO 0.16 -0.67 0.18 -0.80 -0.05 0.00 0.00 175.22 174.04 1y18 s ASN 210 N -1.82 6.09 0.03 1.98 0.01 -1.26 -1.10 114.94 118.87 1y18 s ASN 210 Ca -0.06 0.08 -0.37 0.00 -0.71 0.00 0.00 52.86 51.80 1y18 s ASN 210 Cb -0.01 -2.12 -0.16 0.00 0.41 0.00 0.00 41.25 39.38 1y18 s ASN 210 CO 0.00 0.02 1.43 -1.14 -1.51 0.00 0.00 177.10 175.91 1y18 n ARG 211 N 4.57 1.26 0.00 -0.60 0.63 0.83 -1.22 116.66 122.14 1y18 n ARG 211 Ca -0.14 0.46 0.00 0.00 -0.92 0.00 0.00 57.85 57.24 1y18 n ARG 211 Cb 0.52 -2.12 0.00 0.00 0.45 0.00 0.00 32.46 31.31 1y18 n ARG 211 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1y18 n GLY 212 N 2.89 2.02 3.57 5.14 0.00 -1.26 -4.93 105.19 112.63 1y18 n GLY 212 Ca 0.20 -0.34 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 1y18 n GLY 212 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1y18 s GLU 213 N 0.00 2.53 0.00 1.61 2.02 -0.36 -5.30 118.70 119.21 1y18 s GLU 213 Ca 0.00 -0.87 0.31 0.00 0.02 0.00 0.00 54.97 54.43 1y18 s GLU 213 Cb 0.00 -5.18 1.66 0.00 0.10 0.00 0.00 34.13 30.70 1y18 s GLU 213 CO 0.00 -3.75 2.09 0.00 0.02 0.00 0.00 175.26 173.61