#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 4.39 -0.17 4.31 2.96 -1.26 -4.89 118.68 124.01 1y18 s LEU 2 Ca 0.00 2.31 -0.01 0.00 -0.22 0.00 0.00 54.13 56.22 1y18 s LEU 2 Cb 0.00 -3.59 0.04 0.00 0.50 0.00 0.00 46.19 43.14 1y18 s LEU 2 CO 0.00 -0.58 -0.05 -0.69 -1.32 0.00 0.00 176.35 173.72 1y18 s VAL 3 N 0.71 1.10 -0.09 1.68 1.01 -1.26 -4.98 120.40 118.58 1y18 s VAL 3 Ca 0.61 -0.68 -0.22 0.00 0.00 0.00 0.00 61.98 61.69 1y18 s VAL 3 Cb -0.36 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1y18 s VAL 3 CO 0.33 0.08 0.63 -0.69 0.00 0.00 0.00 175.10 175.46 1y18 s VAL 4 N 1.63 5.09 0.01 2.92 1.01 -1.26 -2.11 120.40 127.67 1y18 s VAL 4 Ca -0.00 1.29 0.08 0.00 0.00 0.00 0.00 61.98 63.35 1y18 s VAL 4 Cb -0.16 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 1y18 s VAL 4 CO -0.08 0.26 -0.24 -0.89 0.00 0.00 0.00 175.10 174.16 1y18 s THR 5 N 0.81 1.94 0.08 3.92 2.01 -0.08 -3.97 115.64 120.35 1y18 s THR 5 Ca 0.34 -1.15 0.02 0.00 0.31 0.00 0.00 61.69 61.21 1y18 s THR 5 Cb -0.17 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 70.67 1y18 s THR 5 CO 0.15 0.45 -0.08 -1.10 -0.69 0.00 0.00 174.62 173.36 1y18 s GLN 6 N -0.83 0.77 0.25 4.92 -0.21 -1.26 -1.37 119.66 121.93 1y18 s GLN 6 Ca 0.10 -1.14 -0.30 0.00 0.02 0.00 0.00 55.36 54.03 1y18 s GLN 6 Cb -0.09 -0.33 -0.10 0.00 1.00 0.00 0.00 33.01 33.49 1y18 s GLN 6 CO 0.00 0.03 1.45 -1.83 -2.12 0.00 0.00 175.29 172.82 1y18 s GLU 7 N -2.97 4.26 0.19 2.91 1.03 -1.26 -4.85 118.70 118.01 1y18 s GLU 7 Ca 0.05 2.32 -0.12 0.00 0.03 0.00 0.00 54.97 57.24 1y18 s GLU 7 Cb -0.01 -3.11 0.11 0.00 -0.80 0.00 0.00 34.13 30.33 1y18 s GLU 7 CO -0.02 -0.43 1.84 0.66 -1.33 0.00 0.00 175.26 175.98 1y18 h SER 8 N 5.07 0.78 -5.02 0.83 4.64 -1.96 -3.36 113.55 114.52 1y18 h SER 8 Ca -0.46 -0.05 -0.12 0.00 -0.47 0.00 0.00 61.79 60.69 1y18 h SER 8 Cb 1.22 -0.20 -0.19 0.00 -0.31 0.00 0.00 62.40 62.92 1y18 h SER 8 CO 0.78 0.59 -0.38 0.00 -0.87 0.00 0.00 176.83 176.95 1y18 s ALA 9 N -6.04 -0.49 -0.02 5.18 0.00 -1.26 -0.66 121.76 118.47 1y18 s ALA 9 Ca -0.13 -0.04 -0.07 0.00 0.00 0.00 0.00 51.96 51.72 1y18 s ALA 9 Cb 0.14 0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.43 1y18 s ALA 9 CO 0.77 -0.29 0.15 -0.51 0.00 0.00 0.00 175.76 175.88 1y18 s LEU 11 N -1.64 1.50 -0.05 0.00 1.43 -0.38 -4.92 118.68 114.62 1y18 s LEU 11 Ca -0.11 -0.04 0.04 0.00 -1.03 0.00 0.00 54.13 52.99 1y18 s LEU 11 Cb -0.04 0.64 -0.00 0.00 0.03 0.00 0.00 46.19 46.82 1y18 s LEU 11 CO 0.00 -0.28 -0.16 -0.89 0.23 0.00 0.00 176.35 175.26 1y18 s THR 12 N -0.94 1.35 0.11 5.49 2.01 -1.26 -0.33 115.64 122.08 1y18 s THR 12 Ca -0.10 -0.66 -0.01 0.00 0.31 0.00 0.00 61.69 61.23 1y18 s THR 12 Cb -0.06 -1.17 -0.04 0.00 0.01 0.00 0.00 72.50 71.24 1y18 s THR 12 CO 0.01 0.39 0.02 0.28 -0.69 0.00 0.00 174.62 174.64 1y18 s THR 13 N 0.15 0.22 0.13 -0.82 -1.32 -0.27 -4.96 115.64 108.77 1y18 s THR 13 Ca -0.06 -1.89 0.04 0.00 -1.21 0.00 0.00 61.69 58.56 1y18 s THR 13 Cb -0.12 -1.91 -0.04 0.00 -1.51 0.00 0.00 72.50 68.93 1y18 s THR 13 CO 0.02 -0.62 0.16 -0.94 -2.21 0.00 0.00 174.62 171.04 1y18 s SER 14 N -3.03 5.79 0.57 8.08 1.04 -1.26 0.04 113.70 124.92 1y18 s SER 14 Ca 0.19 0.00 -0.19 0.00 0.48 0.00 0.00 55.95 56.43 1y18 s SER 14 Cb 0.07 -1.61 -0.07 0.00 0.10 0.00 0.00 66.02 64.52 1y18 s SER 14 CO -0.01 0.10 0.81 -2.65 0.98 0.00 0.00 173.24 172.46 1y18 n PRO 15 N -0.15 0.80 0.00 4.02 -0.02 -1.26 -1.62 135.00 136.77 1y18 n PRO 15 Ca -0.08 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1y18 n PRO 15 Cb 0.53 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 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 1.46 2.31 3.81 -1.23 0.00 0.79 -4.85 105.19 107.49 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 -0.54 0.00 0.00 0.00 173.32 172.78 1y18 s GLU 17 N 0.00 0.79 -0.09 1.61 0.41 -0.64 -3.80 118.70 116.98 1y18 s GLU 17 Ca 0.00 0.03 0.04 0.00 -0.41 0.00 0.00 54.97 54.63 1y18 s GLU 17 Cb 0.00 -1.82 -0.01 0.00 -1.78 0.00 0.00 34.13 30.52 1y18 s GLU 17 CO 0.00 -2.38 -0.22 0.99 -0.49 0.00 0.00 175.26 173.16 1y18 s THR 18 N -3.44 2.28 0.06 3.63 2.01 -1.26 -0.48 115.64 118.44 1y18 s THR 18 Ca 0.67 -0.96 0.05 0.00 0.31 0.00 0.00 61.69 61.76 1y18 s THR 18 Cb -0.11 -1.87 -0.03 0.00 0.01 0.00 0.00 72.50 70.50 1y18 s THR 18 CO 0.53 0.56 -0.13 0.54 -0.69 0.00 0.00 174.62 175.42 1y18 s VAL 19 N 0.15 1.03 -0.10 3.82 0.11 -0.04 -5.00 120.40 120.38 1y18 s VAL 19 Ca -0.12 -1.19 0.01 0.00 -2.93 0.00 0.00 61.98 57.75 1y18 s VAL 19 Cb -0.16 -0.99 0.02 0.00 -1.53 0.00 0.00 36.38 33.72 1y18 s VAL 19 CO 0.07 -0.18 -0.10 -0.89 -3.33 0.00 0.00 175.10 170.66 1y18 s THR 20 N -1.17 1.14 -0.14 5.04 2.01 -1.26 -0.51 115.64 120.75 1y18 s THR 20 Ca -0.02 -0.41 -0.07 0.00 0.31 0.00 0.00 61.69 61.50 1y18 s THR 20 Cb -0.09 -1.10 -0.04 0.00 0.01 0.00 0.00 72.50 71.27 1y18 s THR 20 CO 0.02 0.38 0.11 -0.76 -0.69 0.00 0.00 174.62 173.67 1y18 s LEU 21 N 1.28 4.15 0.28 4.42 1.02 0.35 -4.95 118.68 125.23 1y18 s LEU 21 Ca -0.03 0.31 0.08 0.00 0.02 0.00 0.00 54.13 54.52 1y18 s LEU 21 Cb -0.14 -2.02 -0.04 0.00 0.02 0.00 0.00 46.19 44.01 1y18 s LEU 21 CO -0.04 0.32 0.13 0.42 0.02 0.00 0.00 176.35 177.20 1y18 s THR 22 N -0.47 3.77 -0.15 5.49 -4.23 -1.26 -0.89 115.64 117.89 1y18 s THR 22 Ca 0.11 -1.62 -0.04 0.00 -1.18 0.00 0.00 61.69 58.96 1y18 s THR 22 Cb -0.12 -3.12 0.06 0.00 1.34 0.00 0.00 72.50 70.66 1y18 s THR 22 CO 0.02 -0.31 0.09 0.00 -0.54 0.00 0.00 174.62 173.88 1y18 s ARG 24 N 2.15 1.91 -0.04 0.00 1.70 -0.47 -1.19 118.95 123.01 1y18 s ARG 24 Ca 0.03 -1.10 -0.08 0.00 -0.47 0.00 0.00 55.73 54.10 1y18 s ARG 24 Cb -0.15 -2.17 -0.05 0.00 -0.57 0.00 0.00 34.95 32.01 1y18 s ARG 24 CO -0.08 0.50 0.24 0.45 -1.08 0.00 0.00 175.30 175.32 1y18 s SER 25 N -2.00 6.50 0.18 -2.89 0.15 -1.25 -0.90 113.70 113.48 1y18 s SER 25 Ca 0.18 0.58 0.27 0.00 0.70 0.00 0.00 55.95 57.67 1y18 s SER 25 Cb -0.11 -2.10 0.87 0.00 -1.71 0.00 0.00 66.02 62.97 1y18 s SER 25 CO 0.10 0.33 1.80 -1.54 1.20 0.00 0.00 173.24 175.12 1y18 n SER 26 N 1.55 0.70 -1.36 5.45 3.41 -0.90 -3.21 113.62 119.26 1y18 n SER 26 Ca -0.15 0.57 0.08 0.00 -0.26 0.00 0.00 58.87 59.11 1y18 n SER 26 Cb 0.54 -0.76 0.30 0.00 -0.26 0.00 0.00 64.21 64.03 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 -2.16 4.00 0.00 4.04 3.41 -1.26 -4.95 113.62 116.70 1y18 n SER 27 Ca 0.06 -2.32 0.00 0.00 -0.26 0.00 0.00 58.87 56.35 1y18 n SER 27 Cb 0.42 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 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 1.10 0.69 3.77 5.00 0.00 -1.20 -5.07 105.19 109.49 1y18 n GLY 27 Ca 0.22 -2.10 -0.38 0.00 0.00 0.00 0.00 46.02 43.75 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 -1.51 3.24 0.26 4.61 0.00 -1.26 -3.96 121.76 123.15 1y18 s ALA 27 Ca 0.00 0.82 -0.30 0.00 0.00 0.00 0.00 51.96 52.49 1y18 s ALA 27 Cb 0.00 -3.31 -0.09 0.00 0.00 0.00 0.00 23.12 19.72 1y18 s ALA 27 CO 0.00 -0.23 1.11 0.08 0.00 0.00 0.00 175.76 176.72 1y18 s VAL 27 N -1.39 3.52 0.15 0.00 1.01 0.95 -4.96 120.40 119.67 1y18 s VAL 27 Ca 0.51 1.49 0.01 0.00 0.00 0.00 0.00 61.98 63.99 1y18 s VAL 27 Cb -0.28 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1y18 s VAL 27 CO 0.35 0.34 -0.01 0.42 0.00 0.00 0.00 175.10 176.20 1y18 s THR 28 N -0.99 0.60 0.37 3.92 -4.23 -1.26 -4.74 115.64 109.32 1y18 s THR 28 Ca 0.46 -1.96 0.21 0.00 -1.18 0.00 0.00 61.69 59.22 1y18 s THR 28 Cb -0.32 -2.00 0.37 0.00 1.34 0.00 0.00 72.50 71.90 1y18 s THR 28 CO 0.40 -0.58 1.61 0.74 -0.54 0.00 0.00 174.62 176.26 1y18 h THR 29 N 2.79 0.12 0.00 3.99 2.02 -1.98 0.91 112.91 120.75 1y18 h THR 29 Ca -0.36 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 66.78 1y18 h THR 29 Cb 1.19 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1y18 h THR 29 CO 0.63 0.02 0.00 -1.54 0.37 0.00 0.00 175.52 175.00 1y18 n SER 30 N -5.08 0.00 0.01 4.18 3.41 -1.26 -1.23 113.62 113.65 1y18 n SER 30 Ca 0.36 -0.46 0.11 0.00 -0.26 0.00 0.00 58.87 58.62 1y18 n SER 30 Cb 1.22 -0.02 0.04 0.00 -0.26 0.00 0.00 64.21 65.20 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 -1.02 0.65 -4.18 4.04 3.02 0.31 -4.80 115.26 113.30 1y18 n ASN 31 Ca 0.12 -0.37 -0.34 0.00 -0.03 0.00 0.00 54.58 53.95 1y18 n ASN 31 Cb 0.06 0.73 -0.03 0.00 -0.61 0.00 0.00 39.78 39.93 1y18 n ASN 31 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1y18 n TYR 32 N -1.77 -1.73 -1.31 3.10 4.01 -0.36 -0.46 117.16 118.64 1y18 n TYR 32 Ca 0.03 0.79 -0.50 0.00 -0.16 0.00 0.00 57.90 58.06 1y18 n TYR 32 Cb 0.39 -3.10 -0.06 0.00 -0.31 0.00 0.00 39.34 36.26 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 -4.40 -3.18 -2.65 -0.72 0.00 -1.26 -3.89 120.51 104.41 1y18 n ALA 33 Ca 0.00 0.51 -0.13 0.00 0.00 0.00 0.00 53.44 53.82 1y18 n ALA 33 Cb 0.53 -1.53 -0.11 0.00 0.00 0.00 0.00 19.45 18.34 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 -0.14 0.70 0.06 0.00 -1.32 -0.74 -0.21 115.64 113.99 1y18 s THR 34 Ca 0.76 -1.36 0.08 0.00 -1.21 0.00 0.00 61.69 59.96 1y18 s THR 34 Cb -1.07 -0.99 -0.03 0.00 -1.51 0.00 0.00 72.50 68.90 1y18 s THR 34 CO 0.50 -0.49 -0.22 0.26 -2.21 0.00 0.00 174.62 172.46 1y18 s TRP 35 N -1.97 1.94 -0.00 9.09 0.52 -0.74 -1.18 118.94 126.61 1y18 s TRP 35 Ca -0.02 -0.39 0.03 0.00 0.02 0.00 0.00 56.10 55.73 1y18 s TRP 35 Cb -0.06 -1.13 -0.01 0.00 -1.15 0.00 0.00 33.47 31.12 1y18 s TRP 35 CO -0.00 0.14 -0.08 0.08 0.02 0.00 0.00 176.95 177.10 1y18 s VAL 36 N -0.88 0.64 -0.14 4.03 1.01 0.33 -0.39 120.40 124.99 1y18 s VAL 36 Ca 0.09 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 1y18 s VAL 36 Cb -0.09 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.72 1y18 s VAL 36 CO 0.03 0.15 -0.05 -1.58 0.00 0.00 0.00 175.10 173.65 1y18 s GLN 37 N -0.27 3.56 -0.25 2.72 0.74 0.19 -0.02 119.66 126.33 1y18 s GLN 37 Ca 0.02 -0.53 -0.04 0.00 0.05 0.00 0.00 55.36 54.86 1y18 s GLN 37 Cb -0.03 -2.86 0.01 0.00 1.10 0.00 0.00 33.01 31.22 1y18 s GLN 37 CO -0.00 0.28 -0.02 -2.00 -0.55 0.00 0.00 175.29 173.01 1y18 s GLU 38 N 0.24 3.14 0.26 1.67 2.12 0.41 -1.14 118.70 125.40 1y18 s GLU 38 Ca -0.03 -0.79 0.06 0.00 0.36 0.00 0.00 54.97 54.57 1y18 s GLU 38 Cb -0.14 -3.10 -0.03 0.00 0.26 0.00 0.00 34.13 31.12 1y18 s GLU 38 CO 0.03 -0.32 0.29 0.15 -0.54 0.00 0.00 175.26 174.87 1y18 s LYS 39 N 1.44 3.11 0.34 4.30 -0.14 0.20 -1.88 119.74 127.10 1y18 s LYS 39 Ca 0.03 -0.97 -0.26 0.00 -1.36 0.00 0.00 55.97 53.42 1y18 s LYS 39 Cb -0.16 -2.70 -0.13 0.00 -1.68 0.00 0.00 37.83 33.16 1y18 s LYS 39 CO -0.02 0.35 0.83 -2.30 -0.76 0.00 0.00 175.35 173.45 1y18 n PRO 40 N -1.32 0.98 -1.96 -1.68 -0.02 -1.26 -2.37 135.00 127.37 1y18 n PRO 40 Ca -0.07 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1y18 n PRO 40 Cb 0.58 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 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 1.20 -1.24 -3.74 2.55 8.00 -1.26 -4.18 116.55 117.88 1y18 n ASP 41 Ca 0.11 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.39 1y18 n ASP 41 Cb 0.34 -0.45 0.02 0.00 -0.02 0.00 0.00 41.12 41.02 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 -3.10 -1.86 -3.60 1.24 8.25 -1.20 -4.95 115.22 110.00 1y18 n HIS 42 Ca 0.00 0.82 -0.40 0.00 -0.26 0.00 0.00 57.72 57.88 1y18 n HIS 42 Cb 0.45 -4.26 -0.10 0.00 1.12 0.00 0.00 29.99 27.20 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 -6.72 5.22 0.07 2.41 1.43 -1.00 -4.99 118.68 115.11 1y18 s LEU 43 Ca 0.01 -1.58 0.03 0.00 -1.03 0.00 0.00 54.13 51.56 1y18 s LEU 43 Cb -0.00 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 1y18 s LEU 43 CO 0.83 -0.56 0.07 -0.36 0.23 0.00 0.00 176.35 176.56 1y18 s PHE 44 N 1.40 3.18 -0.12 0.29 0.40 -1.26 -0.63 117.98 121.25 1y18 s PHE 44 Ca 0.03 0.08 -0.07 0.00 -0.60 0.00 0.00 56.93 56.38 1y18 s PHE 44 Cb -0.23 -1.63 0.05 0.00 0.51 0.00 0.00 43.02 41.71 1y18 s PHE 44 CO 0.01 0.52 0.29 -0.08 0.70 0.00 0.00 175.22 176.66 1y18 s THR 45 N -1.35 -0.03 0.21 0.64 -1.32 -0.29 -4.96 115.64 108.54 1y18 s THR 45 Ca 0.28 0.11 -0.30 0.00 -1.21 0.00 0.00 61.69 60.57 1y18 s THR 45 Cb -0.12 -0.44 -0.09 0.00 -1.51 0.00 0.00 72.50 70.35 1y18 s THR 45 CO 0.21 0.05 1.30 -0.83 -2.21 0.00 0.00 174.62 173.14 1y18 s GLY 46 N 1.13 2.51 -0.06 6.08 0.00 -1.26 -0.64 107.32 115.07 1y18 s GLY 46 Ca -0.08 1.11 -0.08 0.00 0.00 0.00 0.00 44.72 45.67 1y18 s GLY 46 CO -0.08 2.05 -0.18 1.04 0.00 0.00 0.00 173.10 175.93 1y18 n LEU 47 N 2.48 1.39 -4.32 0.66 4.77 0.48 -4.78 117.00 117.68 1y18 n LEU 47 Ca 0.06 0.22 -0.26 0.00 -0.03 0.00 0.00 56.01 56.00 1y18 n LEU 47 Cb 0.43 -0.51 -0.13 0.00 -2.33 0.00 0.00 43.42 40.88 1y18 n LEU 47 CO 0.58 -0.32 -0.53 -0.63 -1.33 0.00 0.00 177.39 175.16 1y18 s ILE 48 N -2.40 1.90 0.03 -0.08 -1.09 -1.21 -0.26 121.20 118.09 1y18 s ILE 48 Ca -0.16 -1.62 -0.05 0.00 -2.23 0.00 0.00 60.65 56.59 1y18 s ILE 48 Cb 0.03 -1.71 -0.01 0.00 -1.58 0.00 0.00 42.46 39.19 1y18 s ILE 48 CO 0.22 -0.02 0.07 -0.83 -1.23 0.00 0.00 174.94 173.16 1y18 s GLY 49 N -1.98 0.19 -1.51 6.18 0.00 0.87 -1.79 107.32 109.29 1y18 s GLY 49 Ca 0.09 -0.57 -0.06 0.00 0.00 0.00 0.00 44.72 44.18 1y18 s GLY 49 CO 0.05 -0.70 0.75 0.61 0.00 0.00 0.00 173.10 173.81 1y18 n GLY 50 N 0.88 -0.53 5.00 0.20 0.00 -1.19 -1.38 105.19 108.18 1y18 n GLY 50 Ca -0.20 0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -4.63 0.00 -0.51 2.61 -1.04 0.70 -3.99 114.28 107.43 1y18 n THR 51 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1y18 n THR 51 Cb 0.60 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.11 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 2.44 0.69 -4.65 8.00 6.94 -1.24 -2.70 115.26 124.75 1y18 n ASN 52 Ca 0.00 -1.20 -0.39 0.00 -0.02 0.00 0.00 54.58 52.97 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 -0.20 4.14 0.39 -3.83 1.02 -0.48 -4.31 119.74 116.47 1y18 s LYS 53 Ca 0.00 0.31 -0.24 0.00 0.02 0.00 0.00 55.97 56.05 1y18 s LYS 53 Cb 0.00 -3.59 -0.09 0.00 -0.52 0.00 0.00 37.83 33.63 1y18 s LYS 53 CO 0.00 -0.19 1.04 0.50 -0.92 0.00 0.00 175.35 175.78 1y18 s ARG 54 N 1.79 4.22 0.35 1.68 3.52 -1.26 -0.09 118.95 129.16 1y18 s ARG 54 Ca 0.21 1.51 -0.16 0.00 -0.13 0.00 0.00 55.73 57.16 1y18 s ARG 54 Cb -0.15 -2.59 -0.09 0.00 -1.56 0.00 0.00 34.95 30.55 1y18 s ARG 54 CO 0.09 -0.09 0.78 0.00 -0.81 0.00 0.00 175.30 175.27 1y18 s ALA 55 N -1.63 3.26 0.24 6.12 0.00 0.64 -4.85 121.76 125.54 1y18 s ALA 55 Ca 0.56 0.11 -0.31 0.00 0.00 0.00 0.00 51.96 52.32 1y18 s ALA 55 Cb -0.22 -2.85 -0.13 0.00 0.00 0.00 0.00 23.12 19.92 1y18 s ALA 55 CO 0.28 0.28 1.47 -0.35 0.00 0.00 0.00 175.76 177.44 1y18 n PRO 56 N -0.45 2.18 -0.19 0.00 -0.04 -1.26 -1.91 135.00 133.33 1y18 n PRO 56 Ca 0.04 0.78 0.00 0.00 -0.04 0.00 0.00 63.50 64.28 1y18 n PRO 56 Cb 0.53 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 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 2.33 0.82 3.63 0.55 0.00 -1.26 -5.04 105.19 106.21 1y18 n GLY 57 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.52 5.05 0.59 1.61 1.01 -0.80 -5.04 120.40 120.30 1y18 s VAL 58 Ca 0.00 0.99 -0.19 0.00 0.00 0.00 0.00 61.98 62.78 1y18 s VAL 58 Cb 0.00 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 1y18 s VAL 58 CO 0.00 0.09 0.93 -0.81 0.00 0.00 0.00 175.10 175.31 1y18 n PRO 59 N 5.43 0.88 0.00 2.72 -0.04 -1.26 -4.85 135.00 137.88 1y18 n PRO 59 Ca -0.03 0.34 0.03 0.00 -0.04 0.00 0.00 63.50 63.81 1y18 n PRO 59 Cb 0.50 -2.13 0.16 0.00 -0.04 0.00 0.00 33.50 31.99 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 -1.68 1.36 0.34 0.55 0.00 -1.26 -2.34 120.51 117.48 1y18 n ALA 60 Ca 0.13 -0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.63 1y18 n ALA 60 Cb 0.47 -1.12 0.39 0.00 0.00 0.00 0.00 19.45 19.19 1y18 n ALA 60 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1y18 n ARG 61 N -1.46 0.10 -3.74 0.00 1.85 -1.26 -4.52 116.66 107.62 1y18 n ARG 61 Ca 0.02 0.41 -0.36 0.00 -1.00 0.00 0.00 57.85 56.92 1y18 n ARG 61 Cb 0.08 -1.73 -0.07 0.00 -1.05 0.00 0.00 32.46 29.70 1y18 n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1y18 s PHE 62 N -3.22 3.53 0.02 2.89 0.08 -0.99 -0.62 117.98 119.67 1y18 s PHE 62 Ca 0.03 0.52 -0.13 0.00 0.12 0.00 0.00 56.93 57.47 1y18 s PHE 62 Cb 0.08 -2.11 0.02 0.00 -0.57 0.00 0.00 43.02 40.44 1y18 s PHE 62 CO 0.27 0.51 0.28 -1.54 -0.10 0.00 0.00 175.22 174.64 1y18 s SER 63 N -0.35 -0.12 0.29 1.36 1.04 -0.63 -4.96 113.70 110.33 1y18 s SER 63 Ca 0.14 -0.10 0.11 0.00 0.48 0.00 0.00 55.95 56.58 1y18 s SER 63 Cb -0.12 0.32 -0.05 0.00 0.10 0.00 0.00 66.02 66.26 1y18 s SER 63 CO 0.03 -0.52 -0.15 -0.83 0.98 0.00 0.00 173.24 172.75 1y18 s GLY 64 N -1.70 1.93 0.00 7.32 0.00 -1.26 -0.40 107.32 113.21 1y18 s GLY 64 Ca -0.09 -1.90 0.00 0.00 0.00 0.00 0.00 44.72 42.72 1y18 s GLY 64 CO 0.00 -1.96 0.00 -1.14 0.00 0.00 0.00 173.10 170.01 1y18 n SER 65 N -0.69 0.00 -4.60 1.64 3.41 -0.75 -4.41 113.62 108.22 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 -0.10 0.00 -0.26 0.00 0.00 64.21 64.45 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 3.81 -0.17 1.04 1.43 -1.26 0.27 118.68 123.80 1y18 s LEU 66 Ca 0.00 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1y18 s LEU 66 Cb 0.00 -1.99 0.04 0.00 0.03 0.00 0.00 46.19 44.27 1y18 s LEU 66 CO 0.00 0.11 -0.08 -0.63 0.23 0.00 0.00 176.35 175.98 1y18 s ILE 67 N 0.75 1.36 0.00 -0.59 1.01 -0.37 -4.96 121.20 118.41 1y18 s ILE 67 Ca 0.04 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 59.95 1y18 s ILE 67 Cb -0.13 -1.45 0.00 0.00 0.01 0.00 0.00 42.46 40.89 1y18 s ILE 67 CO 0.02 0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.78 1y18 n GLY 68 N 4.80 3.09 0.99 6.18 0.00 -1.26 -1.32 105.19 117.66 1y18 n GLY 68 Ca -0.14 -0.21 0.11 0.00 0.00 0.00 0.00 46.02 45.78 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 5.04 2.93 -4.68 1.61 8.00 -1.26 -4.88 116.55 123.31 1y18 n ASP 69 Ca 0.00 -1.94 -0.24 0.00 0.71 0.00 0.00 54.79 53.32 1y18 n ASP 69 Cb 0.00 -0.28 -0.08 0.00 -0.02 0.00 0.00 41.12 40.75 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 -1.45 2.17 0.08 -1.24 0.52 -0.44 -0.03 118.95 118.56 1y18 s ARG 70 Ca 0.37 -1.75 0.01 0.00 -0.52 0.00 0.00 55.73 53.84 1y18 s ARG 70 Cb 0.21 -1.98 -0.04 0.00 0.52 0.00 0.00 34.95 33.66 1y18 s ARG 70 CO 0.28 0.05 0.20 0.00 0.02 0.00 0.00 175.30 175.85 1y18 s ALA 71 N -2.53 3.93 0.03 2.13 0.00 -0.33 -1.23 121.76 123.76 1y18 s ALA 71 Ca 0.37 -0.90 -0.07 0.00 0.00 0.00 0.00 51.96 51.36 1y18 s ALA 71 Cb 0.01 -1.75 -0.00 0.00 0.00 0.00 0.00 23.12 21.37 1y18 s ALA 71 CO 0.21 0.77 0.13 0.00 0.00 0.00 0.00 175.76 176.88 1y18 s ALA 72 N -1.53 -0.19 -0.18 0.00 0.00 0.14 -0.06 121.76 119.94 1y18 s ALA 72 Ca 0.34 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.89 1y18 s ALA 72 Cb -0.13 0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.25 1y18 s ALA 72 CO 0.27 -0.32 -0.16 -1.17 0.00 0.00 0.00 175.76 174.38 1y18 s LEU 73 N -2.03 2.33 -0.16 0.00 2.96 -0.07 -1.81 118.68 119.89 1y18 s LEU 73 Ca -0.06 -0.57 -0.00 0.00 -0.22 0.00 0.00 54.13 53.28 1y18 s LEU 73 Cb -0.02 -1.54 -0.00 0.00 0.50 0.00 0.00 46.19 45.13 1y18 s LEU 73 CO -0.04 0.02 -0.14 -0.89 -1.32 0.00 0.00 176.35 173.98 1y18 s THR 74 N 1.20 2.76 -0.30 3.68 2.01 0.46 -0.49 115.64 124.96 1y18 s THR 74 Ca 0.02 -0.73 -0.08 0.00 0.31 0.00 0.00 61.69 61.21 1y18 s THR 74 Cb -0.14 -2.18 0.00 0.00 0.01 0.00 0.00 72.50 70.19 1y18 s THR 74 CO -0.08 0.50 0.11 -0.63 -0.69 0.00 0.00 174.62 173.83 1y18 s ILE 75 N 0.91 4.22 -0.07 1.82 1.01 0.33 -1.61 121.20 127.82 1y18 s ILE 75 Ca -0.03 -0.55 -0.13 0.00 0.00 0.00 0.00 60.65 59.94 1y18 s ILE 75 Cb -0.15 -3.15 -0.05 0.00 0.01 0.00 0.00 42.46 39.12 1y18 s ILE 75 CO -0.01 0.10 0.31 -0.89 0.00 0.00 0.00 174.94 174.45 1y18 s THR 76 N 1.55 5.22 -1.02 2.92 2.01 0.21 -0.86 115.64 125.68 1y18 s THR 76 Ca 0.04 0.61 -0.03 0.00 0.31 0.00 0.00 61.69 62.62 1y18 s THR 76 Cb -0.17 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 1y18 s THR 76 CO 0.04 0.54 0.87 0.61 -0.69 0.00 0.00 174.62 175.99 1y18 n GLY 77 N 2.28 -0.71 3.63 4.40 0.00 -0.08 -4.74 105.19 109.97 1y18 n GLY 77 Ca -0.15 0.33 -0.46 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.40 0.36 -2.56 4.61 0.00 0.37 -4.42 120.51 115.48 1y18 n ALA 78 Ca -0.14 0.43 -0.23 0.00 0.00 0.00 0.00 53.44 53.49 1y18 n ALA 78 Cb 0.63 -2.17 -0.09 0.00 0.00 0.00 0.00 19.45 17.82 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 -0.51 1.98 0.49 0.00 -0.21 -1.26 -0.15 119.66 120.00 1y18 s GLN 79 Ca 0.69 -1.60 0.16 0.00 0.02 0.00 0.00 55.36 54.63 1y18 s GLN 79 Cb -0.72 -1.96 1.17 0.00 1.00 0.00 0.00 33.01 32.50 1y18 s GLN 79 CO 0.52 0.35 2.08 1.79 -2.12 0.00 0.00 175.29 177.90 1y18 h THR 80 N 2.08 1.03 0.00 -0.19 1.35 -1.94 0.55 112.91 115.79 1y18 h THR 80 Ca -0.42 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 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 0.60 0.08 0.00 -1.84 -0.25 0.00 0.00 175.52 174.12 1y18 n GLU 81 N -4.40 0.08 0.00 4.72 0.00 -1.26 -2.06 120.64 117.72 1y18 n GLU 81 Ca -0.03 0.25 0.14 0.00 0.00 0.00 0.00 57.16 57.52 1y18 n GLU 81 Cb 0.16 -1.50 0.55 0.00 0.00 0.00 0.00 31.44 30.65 1y18 n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1y18 n ASP 82 N -1.39 0.45 -4.62 -1.84 8.00 0.18 -4.83 116.55 112.50 1y18 n ASP 82 Ca 0.04 -0.40 -0.43 0.00 0.71 0.00 0.00 54.79 54.71 1y18 n ASP 82 Cb 0.10 -0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.10 1y18 n ASP 82 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1y18 s GLU 83 N -2.62 3.54 0.02 -1.24 2.02 -0.87 -4.85 118.70 114.70 1y18 s GLU 83 Ca 0.24 2.14 -0.05 0.00 0.02 0.00 0.00 54.97 57.31 1y18 s GLU 83 Cb 0.19 -4.26 0.02 0.00 0.10 0.00 0.00 34.13 30.19 1y18 s GLU 83 CO 0.52 -1.63 0.24 0.00 0.02 0.00 0.00 175.26 174.41 1y18 n ALA 84 N 9.91 -0.66 -3.15 5.21 0.00 -1.20 -4.93 120.51 125.70 1y18 n ALA 84 Ca 0.25 -0.20 -0.34 0.00 0.00 0.00 0.00 53.44 53.15 1y18 n ALA 84 Cb 0.44 0.09 -0.13 0.00 0.00 0.00 0.00 19.45 19.84 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 -2.33 3.51 -0.22 0.00 1.01 -0.79 -1.21 121.20 121.17 1y18 s ILE 85 Ca 0.06 -0.48 -0.07 0.00 0.00 0.00 0.00 60.65 60.16 1y18 s ILE 85 Cb -0.00 -2.54 -0.03 0.00 0.01 0.00 0.00 42.46 39.89 1y18 s ILE 85 CO 0.01 0.48 0.05 -0.31 0.00 0.00 0.00 174.94 175.16 1y18 s TYR 86 N 0.72 3.11 -0.06 3.97 1.51 0.30 -0.44 117.35 126.45 1y18 s TYR 86 Ca -0.03 -0.30 -0.03 0.00 -1.01 0.00 0.00 57.07 55.70 1y18 s TYR 86 Cb -0.15 -2.16 -0.04 0.00 -0.11 0.00 0.00 41.96 39.51 1y18 s TYR 86 CO 0.02 -0.20 0.06 -0.06 -1.11 0.00 0.00 175.55 174.27 1y18 s PHE 87 N 1.14 3.31 0.10 2.71 0.08 0.97 -0.59 117.98 125.71 1y18 s PHE 87 Ca 0.04 0.28 0.10 0.00 0.12 0.00 0.00 56.93 57.47 1y18 s PHE 87 Cb -0.14 -1.81 -0.04 0.00 -0.57 0.00 0.00 43.02 40.46 1y18 s PHE 87 CO 0.03 0.57 -0.26 0.00 -0.10 0.00 0.00 175.22 175.45 1y18 s ALA 89 N -0.97 0.01 0.02 0.00 0.00 -0.32 0.91 121.76 121.40 1y18 s ALA 89 Ca 0.13 -0.17 0.08 0.00 0.00 0.00 0.00 51.96 52.00 1y18 s ALA 89 Cb -0.10 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 1y18 s ALA 89 CO 0.05 -0.06 -0.23 -0.51 0.00 0.00 0.00 175.76 175.00 1y18 s LEU 90 N -0.50 2.12 -0.30 0.00 1.43 0.55 -1.79 118.68 120.20 1y18 s LEU 90 Ca -0.06 -0.51 -0.17 0.00 -1.03 0.00 0.00 54.13 52.37 1y18 s LEU 90 Cb -0.03 -1.14 -0.02 0.00 0.03 0.00 0.00 46.19 45.02 1y18 s LEU 90 CO -0.00 0.23 0.46 0.86 0.23 0.00 0.00 176.35 178.13 1y18 s TRP 91 N -0.71 3.23 -0.97 0.29 -0.11 0.39 -0.68 118.94 120.38 1y18 s TRP 91 Ca 0.09 0.37 -0.02 0.00 1.22 0.00 0.00 56.10 57.75 1y18 s TRP 91 Cb -0.09 -2.75 0.28 0.00 -1.50 0.00 0.00 33.47 29.41 1y18 s TRP 91 CO 0.01 -0.37 1.17 -1.71 -4.62 0.00 0.00 176.95 171.43 1y18 n ASN 92 N 5.54 5.41 0.00 5.86 5.15 0.04 -4.40 115.26 132.86 1y18 n ASN 92 Ca -0.06 -3.32 0.00 0.00 -0.60 0.00 0.00 54.58 50.61 1y18 n ASN 92 Cb 0.50 -1.14 0.00 0.00 -0.53 0.00 0.00 39.78 38.61 1y18 n ASN 92 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1y18 n SER 93 N 1.60 0.00 -0.01 1.20 2.88 -1.26 -3.36 113.62 114.67 1y18 n SER 93 Ca 0.26 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 1y18 n SER 93 Cb 0.36 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 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 0.66 0.58 -3.48 -3.46 6.94 -1.26 -5.09 115.26 110.14 1y18 n ASN 94 Ca 0.00 -1.31 -0.12 0.00 -0.02 0.00 0.00 54.58 53.13 1y18 n ASN 94 Cb 0.00 -0.01 -0.03 0.00 -2.36 0.00 0.00 39.78 37.38 1y18 n ASN 94 CO 0.00 0.00 0.00 -1.38 -1.03 0.00 0.00 177.26 174.85 1y18 s HIS 95 N -0.30 -0.48 -0.15 -2.53 -3.43 -1.21 -5.16 115.29 102.03 1y18 s HIS 95 Ca 0.00 0.45 -0.08 0.00 -0.80 0.00 0.00 55.06 54.63 1y18 s HIS 95 Cb 0.00 0.52 -0.04 0.00 -1.43 0.00 0.00 32.58 31.63 1y18 s HIS 95 CO 0.00 -0.65 0.13 -1.17 -2.00 0.00 0.00 174.74 171.05 1y18 s LEU 96 N -2.23 4.31 -0.12 5.38 2.96 -1.26 -0.78 118.68 126.93 1y18 s LEU 96 Ca 0.00 0.38 0.02 0.00 -0.22 0.00 0.00 54.13 54.31 1y18 s LEU 96 Cb -0.01 -2.07 0.01 0.00 0.50 0.00 0.00 46.19 44.63 1y18 s LEU 96 CO -0.06 0.33 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.44 1y18 s VAL 97 N -0.57 1.65 0.38 1.68 1.01 0.15 -4.96 120.40 119.74 1y18 s VAL 97 Ca 0.13 -0.73 -0.08 0.00 0.00 0.00 0.00 61.98 61.30 1y18 s VAL 97 Cb -0.12 -1.50 -0.06 0.00 0.00 0.00 0.00 36.38 34.71 1y18 s VAL 97 CO 0.02 0.47 0.71 -0.36 0.00 0.00 0.00 175.10 175.94 1y18 s PHE 98 N 1.02 3.48 0.67 5.22 0.08 -1.26 -0.33 117.98 126.87 1y18 s PHE 98 Ca -0.05 0.88 -0.03 0.00 0.12 0.00 0.00 56.93 57.85 1y18 s PHE 98 Cb -0.15 -2.32 0.14 0.00 -0.57 0.00 0.00 43.02 40.13 1y18 s PHE 98 CO -0.03 -0.04 0.92 0.41 -0.10 0.00 0.00 175.22 176.37 1y18 n GLY 99 N -1.33 0.21 0.00 4.36 0.00 0.26 -4.40 105.19 104.30 1y18 n GLY 99 Ca 0.01 -1.95 0.14 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.78 -1.42 0.00 -0.02 0.00 -1.26 -4.73 105.19 95.98 1y18 n GLY 100 Ca 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 1.44 -1.14 3.12 -0.02 0.00 -1.26 -5.01 105.19 102.32 1y18 n GLY 101 Ca 0.09 -1.46 -0.30 0.00 0.00 0.00 0.00 46.02 44.35 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 -3.30 1.72 -0.36 2.61 2.01 0.24 -4.49 115.64 114.08 1y18 s THR 102 Ca 0.00 -0.80 -0.25 0.00 0.31 0.00 0.00 61.69 60.96 1y18 s THR 102 Cb 0.00 -1.53 0.01 0.00 0.01 0.00 0.00 72.50 70.99 1y18 s THR 102 CO 0.00 0.49 0.86 -0.75 -0.69 0.00 0.00 174.62 174.53 1y18 s LYS 103 N 0.74 3.83 -0.28 4.92 2.47 0.16 -0.54 119.74 131.05 1y18 s LYS 103 Ca -0.11 0.50 -0.12 0.00 -1.56 0.00 0.00 55.97 54.68 1y18 s LYS 103 Cb -0.16 -3.79 -0.05 0.00 -1.46 0.00 0.00 37.83 32.37 1y18 s LYS 103 CO 0.02 -0.88 0.25 -1.17 0.16 0.00 0.00 175.35 173.73 1y18 s LEU 104 N 3.28 4.03 -0.01 5.43 2.96 -0.35 -1.25 118.68 132.78 1y18 s LEU 104 Ca 0.35 0.09 0.02 0.00 -0.22 0.00 0.00 54.13 54.37 1y18 s LEU 104 Cb -0.13 -2.21 -0.03 0.00 0.50 0.00 0.00 46.19 44.31 1y18 s LEU 104 CO 0.17 -0.09 -0.03 -0.70 -1.32 0.00 0.00 176.35 174.39 1y18 s GLU 105 N 1.84 2.71 -0.25 1.98 2.12 0.54 -3.23 118.70 124.40 1y18 s GLU 105 Ca 0.09 -0.64 -0.04 0.00 0.36 0.00 0.00 54.97 54.74 1y18 s GLU 105 Cb -0.16 -2.61 0.01 0.00 0.26 0.00 0.00 34.13 31.63 1y18 s GLU 105 CO 0.11 0.62 -0.01 0.42 -0.54 0.00 0.00 175.26 175.85 1y18 s ILE 106 N -1.03 3.38 0.36 -3.70 -1.09 -1.26 -1.12 121.20 116.74 1y18 s ILE 106 Ca 0.18 -0.73 -0.28 0.00 -2.23 0.00 0.00 60.65 57.58 1y18 s ILE 106 Cb -0.11 -2.66 -0.11 0.00 -1.58 0.00 0.00 42.46 37.99 1y18 s ILE 106 CO 0.09 0.24 1.47 1.17 -1.23 0.00 0.00 174.94 176.68 1y18 n LYS 107 N 4.77 2.58 -4.13 2.79 4.81 0.11 -4.96 118.16 124.14 1y18 n LYS 107 Ca -0.16 0.91 -0.13 0.00 -0.87 0.00 0.00 58.31 58.05 1y18 n LYS 107 Cb 0.49 -2.62 -0.07 0.00 0.02 0.00 0.00 35.03 32.85 1y18 n LYS 107 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 1y18 s ARG 108 N -1.78 1.61 0.58 1.64 1.04 -1.26 -4.43 118.95 116.36 1y18 s ARG 108 Ca 0.56 -1.64 -0.17 0.00 -1.04 0.00 0.00 55.73 53.43 1y18 s ARG 108 Cb -0.50 0.39 -0.04 0.00 -2.04 0.00 0.00 34.95 32.76 1y18 s ARG 108 CO 0.61 -0.63 1.09 0.95 -0.04 0.00 0.00 175.30 177.28 1y18 s THR 109 N -3.64 3.48 0.27 4.99 -4.23 -1.26 -4.93 115.64 110.32 1y18 s THR 109 Ca 0.32 0.78 -0.30 0.00 -1.18 0.00 0.00 61.69 61.31 1y18 s THR 109 Cb 0.02 -3.29 -0.13 0.00 1.34 0.00 0.00 72.50 70.45 1y18 s THR 109 CO 0.16 -0.33 1.46 0.52 -0.54 0.00 0.00 174.62 175.89 1y18 n VAL 110 N -1.80 1.08 -3.68 2.29 0.31 -1.26 -4.81 118.33 110.46 1y18 n VAL 110 Ca 0.10 -0.27 -0.26 0.00 -0.01 0.00 0.00 64.34 63.90 1y18 n VAL 110 Cb 0.52 -1.65 -0.17 0.00 -0.91 0.00 0.00 33.84 31.63 1y18 n VAL 110 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1y18 s ALA 111 N -0.14 0.67 0.51 3.52 0.00 0.27 -4.92 121.76 121.67 1y18 s ALA 111 Ca 0.65 -0.40 -0.21 0.00 0.00 0.00 0.00 51.96 52.00 1y18 s ALA 111 Cb -0.59 -1.02 -0.06 0.00 0.00 0.00 0.00 23.12 21.45 1y18 s ALA 111 CO 0.51 -1.04 1.18 0.00 0.00 0.00 0.00 175.76 176.41 1y18 s ALA 112 N 2.01 2.81 0.53 0.00 0.00 -1.26 -0.06 121.76 125.79 1y18 s ALA 112 Ca 0.01 0.96 -0.15 0.00 0.00 0.00 0.00 51.96 52.78 1y18 s ALA 112 Cb -0.16 -3.41 -0.07 0.00 0.00 0.00 0.00 23.12 19.49 1y18 s ALA 112 CO -0.08 -0.85 0.99 -1.25 0.00 0.00 0.00 175.76 174.57 1y18 s PRO 113 N -2.99 3.87 -0.26 0.00 0.04 -1.26 -4.61 135.00 129.79 1y18 s PRO 113 Ca 0.69 0.90 -0.12 0.00 0.04 0.00 0.00 61.00 62.51 1y18 s PRO 113 Cb -0.29 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 32.08 1y18 s PRO 113 CO 0.33 -0.33 0.26 -1.12 0.04 0.00 0.00 177.00 176.18 1y18 s SER 114 N -3.31 6.16 -0.12 6.66 0.01 -0.87 -4.82 113.70 117.41 1y18 s SER 114 Ca 0.58 0.17 -0.08 0.00 1.31 0.00 0.00 55.95 57.93 1y18 s SER 114 Cb -0.10 -2.15 -0.04 0.00 0.21 0.00 0.00 66.02 63.93 1y18 s SER 114 CO 0.36 -0.06 0.16 -0.69 0.41 0.00 0.00 173.24 173.42 1y18 s VAL 115 N 1.60 5.47 -0.00 3.43 1.01 -1.26 -0.48 120.40 130.17 1y18 s VAL 115 Ca 0.11 0.25 -0.00 0.00 0.00 0.00 0.00 61.98 62.34 1y18 s VAL 115 Cb -0.15 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1y18 s VAL 115 CO 0.09 0.60 0.01 -0.36 0.00 0.00 0.00 175.10 175.44 1y18 s PHE 116 N -0.92 -0.00 -0.08 5.22 0.40 0.17 -4.97 117.98 117.80 1y18 s PHE 116 Ca 0.15 0.01 0.05 0.00 -0.60 0.00 0.00 56.93 56.54 1y18 s PHE 116 Cb -0.12 -0.00 -0.01 0.00 0.51 0.00 0.00 43.02 43.40 1y18 s PHE 116 CO 0.04 -0.01 -0.25 -1.50 0.70 0.00 0.00 175.22 174.21 1y18 s ILE 117 N -0.03 2.05 -0.21 0.64 2.07 -1.26 0.62 121.20 125.08 1y18 s ILE 117 Ca -0.00 -1.04 0.00 0.00 -1.41 0.00 0.00 60.65 58.19 1y18 s ILE 117 Cb -0.00 -1.75 0.02 0.00 0.13 0.00 0.00 42.46 40.86 1y18 s ILE 117 CO -0.00 0.56 -0.14 -0.36 -1.91 0.00 0.00 174.94 173.10 1y18 s PHE 118 N 0.05 2.94 0.70 3.50 0.08 0.19 -5.00 117.98 120.44 1y18 s PHE 118 Ca -0.10 -1.65 -0.11 0.00 0.12 0.00 0.00 56.93 55.19 1y18 s PHE 118 Cb -0.16 -1.97 0.01 0.00 -0.57 0.00 0.00 43.02 40.34 1y18 s PHE 118 CO 0.06 -0.77 1.07 -1.25 -0.10 0.00 0.00 175.22 174.23 1y18 s PRO 119 N 1.29 2.80 0.57 0.24 0.04 -1.26 -1.28 135.00 137.41 1y18 s PRO 119 Ca 0.02 1.06 -0.19 0.00 0.04 0.00 0.00 61.00 61.92 1y18 s PRO 119 Cb -0.15 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 1y18 s PRO 119 CO -0.09 -1.21 1.20 -1.25 0.04 0.00 0.00 177.00 175.69 1y18 s PRO 120 N -4.85 3.10 0.57 0.56 0.04 -1.22 -4.84 135.00 128.36 1y18 s PRO 120 Ca 0.60 1.81 -0.15 0.00 0.04 0.00 0.00 61.00 63.30 1y18 s PRO 120 Cb -0.15 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 1y18 s PRO 120 CO 0.53 -1.10 1.02 -1.54 0.04 0.00 0.00 177.00 175.95 1y18 s SER 121 N -1.57 6.24 0.20 6.66 1.04 -1.26 -4.96 113.70 120.05 1y18 s SER 121 Ca 0.75 1.61 -0.09 0.00 0.48 0.00 0.00 55.95 58.70 1y18 s SER 121 Cb -0.30 -2.51 0.13 0.00 0.10 0.00 0.00 66.02 63.44 1y18 s SER 121 CO 0.33 -0.85 1.75 0.44 0.98 0.00 0.00 173.24 175.89 1y18 h ASP 122 N 0.45 1.01 -0.83 7.02 3.32 -2.00 -2.51 116.42 122.88 1y18 h ASP 122 Ca -0.46 -0.18 0.05 0.00 0.02 0.00 0.00 57.03 56.46 1y18 h ASP 122 Cb 1.20 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 40.43 1y18 h ASP 122 CO 0.60 0.92 0.52 -0.08 -1.72 0.00 0.00 179.24 179.48 1y18 h GLU 123 N 1.05 0.94 -0.45 3.56 4.81 -2.00 -1.70 114.58 120.79 1y18 h GLU 123 Ca 0.24 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.34 1y18 h GLU 123 Cb 0.23 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1y18 h GLU 123 CO -0.02 0.62 -0.02 0.37 -0.73 0.00 0.00 179.01 179.24 1y18 h GLN 124 N 0.97 0.74 -0.61 1.92 4.15 -1.80 -2.82 115.11 117.66 1y18 h GLN 124 Ca 0.35 -0.20 0.02 0.00 0.77 0.00 0.00 58.65 59.59 1y18 h GLN 124 Cb 0.11 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 1y18 h GLN 124 CO -0.15 0.77 0.41 -0.07 -1.93 0.00 0.00 178.83 177.85 1y18 h LEU 125 N 0.70 0.67 -1.65 -2.39 3.38 -0.90 -1.68 115.31 113.44 1y18 h LEU 125 Ca 0.14 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.14 1y18 h LEU 125 Cb 0.45 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1y18 h LEU 125 CO 0.02 0.47 0.32 0.11 0.09 0.00 0.00 178.44 179.45 1y18 h LYS 126 N 0.78 0.43 0.00 1.13 1.57 -1.22 0.31 116.57 119.57 1y18 h LYS 126 Ca 0.23 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1y18 h LYS 126 Cb -0.02 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.20 1y18 h LYS 126 CO -0.06 0.28 0.00 0.43 -0.57 0.00 0.00 179.45 179.54 1y18 n SER 127 N -4.48 0.00 0.00 0.86 7.64 -0.63 -4.86 113.62 112.16 1y18 n SER 127 Ca 0.06 -0.41 0.00 0.00 1.01 0.00 0.00 58.87 59.53 1y18 n SER 127 Cb 0.22 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 1y18 n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1y18 n GLY 128 N 0.36 1.24 3.45 0.23 0.00 0.10 -5.04 105.19 105.52 1y18 n GLY 128 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.70 2.47 -0.09 2.61 2.01 -1.25 0.37 115.64 119.06 1y18 s THR 129 Ca 0.00 -2.08 -0.01 0.00 0.31 0.00 0.00 61.69 59.92 1y18 s THR 129 Cb 0.00 -2.22 0.03 0.00 0.01 0.00 0.00 72.50 70.32 1y18 s THR 129 CO 0.00 -0.18 -0.05 0.00 -0.69 0.00 0.00 174.62 173.70 1y18 s ALA 130 N -1.86 1.08 -0.21 7.40 0.00 0.72 -3.55 121.76 125.34 1y18 s ALA 130 Ca 0.23 -0.38 -0.04 0.00 0.00 0.00 0.00 51.96 51.77 1y18 s ALA 130 Cb -0.07 -0.83 -0.01 0.00 0.00 0.00 0.00 23.12 22.21 1y18 s ALA 130 CO 0.12 -0.40 -0.04 -1.12 0.00 0.00 0.00 175.76 174.31 1y18 s SER 131 N 1.75 4.35 -0.24 0.00 0.01 -1.26 -0.76 113.70 117.55 1y18 s SER 131 Ca 0.04 -0.36 -0.08 0.00 1.31 0.00 0.00 55.95 56.85 1y18 s SER 131 Cb -0.13 -1.74 -0.04 0.00 0.21 0.00 0.00 66.02 64.32 1y18 s SER 131 CO -0.07 -0.00 0.10 -0.69 0.41 0.00 0.00 173.24 172.99 1y18 s VAL 132 N 1.37 4.74 -0.08 3.43 1.01 0.83 -3.38 120.40 128.31 1y18 s VAL 132 Ca 0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 61.98 61.99 1y18 s VAL 132 Cb -0.14 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 1y18 s VAL 132 CO -0.02 0.35 -0.06 -0.69 0.00 0.00 0.00 175.10 174.68 1y18 s VAL 133 N 1.26 3.75 -0.12 2.92 1.01 -0.40 -0.31 120.40 128.51 1y18 s VAL 133 Ca 0.06 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.60 1y18 s VAL 133 Cb -0.14 -2.55 0.01 0.00 0.00 0.00 0.00 36.38 33.69 1y18 s VAL 133 CO 0.05 0.58 -0.18 0.00 0.00 0.00 0.00 175.10 175.54 1y18 s LEU 135 N 0.91 2.91 -0.30 0.00 2.96 0.20 -0.50 118.68 124.86 1y18 s LEU 135 Ca -0.07 -0.32 -0.08 0.00 -0.22 0.00 0.00 54.13 53.45 1y18 s LEU 135 Cb -0.15 -1.71 0.00 0.00 0.50 0.00 0.00 46.19 44.83 1y18 s LEU 135 CO -0.02 0.08 0.10 -0.76 -1.32 0.00 0.00 176.35 174.43 1y18 s LEU 136 N 0.90 3.90 -0.09 -0.68 1.02 0.33 -0.65 118.68 123.41 1y18 s LEU 136 Ca -0.01 -0.64 -0.01 0.00 0.02 0.00 0.00 54.13 53.48 1y18 s LEU 136 Cb -0.15 -1.92 -0.03 0.00 0.02 0.00 0.00 46.19 44.12 1y18 s LEU 136 CO 0.01 -0.19 -0.03 0.21 0.02 0.00 0.00 176.35 176.37 1y18 s ASN 137 N 1.54 4.98 -0.62 2.29 3.84 0.37 -0.65 114.94 126.69 1y18 s ASN 137 Ca 0.03 0.04 -0.17 0.00 0.21 0.00 0.00 52.86 52.97 1y18 s ASN 137 Cb -0.17 -1.44 0.03 0.00 -0.55 0.00 0.00 41.25 39.11 1y18 s ASN 137 CO 0.03 0.33 0.59 0.59 -2.79 0.00 0.00 177.10 175.86 1y18 n ASN 138 N 2.44 -4.77 -4.50 -4.21 4.13 -0.96 -2.05 115.26 105.34 1y18 n ASN 138 Ca -0.18 -0.58 -0.24 0.00 1.68 0.00 0.00 54.58 55.26 1y18 n ASN 138 Cb 0.53 -1.49 -0.11 0.00 -1.54 0.00 0.00 39.78 37.17 1y18 n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1y18 s PHE 139 N -2.21 2.14 -0.28 3.10 -0.71 0.07 -4.59 117.98 115.50 1y18 s PHE 139 Ca 0.17 -0.87 -0.25 0.00 -1.04 0.00 0.00 56.93 54.94 1y18 s PHE 139 Cb -0.02 -1.45 0.10 0.00 -1.21 0.00 0.00 43.02 40.45 1y18 s PHE 139 CO 0.84 0.15 0.90 -0.47 -1.34 0.00 0.00 175.22 175.29 1y18 s TYR 140 N -3.10 -0.61 0.91 3.49 6.14 0.91 -1.07 117.35 124.03 1y18 s TYR 140 Ca 0.35 1.48 -0.15 0.00 0.64 0.00 0.00 57.07 59.39 1y18 s TYR 140 Cb 0.09 0.33 0.23 0.00 0.42 0.00 0.00 41.96 43.03 1y18 s TYR 140 CO 0.16 -0.30 0.67 -0.35 0.64 0.00 0.00 175.55 176.38 1y18 n PRO 141 N 2.49 -3.17 0.12 4.97 -0.04 -1.26 -0.56 135.00 137.55 1y18 n PRO 141 Ca -0.13 -1.10 -0.03 0.00 -0.04 0.00 0.00 63.50 62.20 1y18 n PRO 141 Cb 0.56 -1.19 0.13 0.00 -0.04 0.00 0.00 33.50 32.95 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 0.07 -6.09 0.54 2.43 -1.98 -3.44 114.38 105.91 1y18 h ARG 142 Ca -0.27 -0.05 -0.59 0.00 -0.81 0.00 0.00 59.98 58.25 1y18 h ARG 142 Cb 0.87 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 1y18 h ARG 142 CO 0.17 0.70 1.39 -0.85 -1.51 0.00 0.00 179.97 179.87 1y18 n GLU 143 N -3.78 2.03 -3.73 0.20 0.00 -1.26 -4.93 120.64 109.16 1y18 n GLU 143 Ca -0.02 0.63 -0.12 0.00 0.00 0.00 0.00 57.16 57.65 1y18 n GLU 143 Cb 0.65 -3.01 -0.11 0.00 0.00 0.00 0.00 31.44 28.97 1y18 n GLU 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1y18 s ALA 144 N 6.95 -0.84 -0.21 -1.84 0.00 -1.26 -4.53 121.76 120.04 1y18 s ALA 144 Ca 0.99 1.12 -0.05 0.00 0.00 0.00 0.00 51.96 54.02 1y18 s ALA 144 Cb -0.48 -0.67 -0.02 0.00 0.00 0.00 0.00 23.12 21.95 1y18 s ALA 144 CO 0.41 -0.20 0.01 0.21 0.00 0.00 0.00 175.76 176.19 1y18 s LYS 145 N 0.74 3.59 -0.21 0.00 2.20 -0.40 -4.97 119.74 120.70 1y18 s LYS 145 Ca -0.05 -0.53 -0.01 0.00 -0.36 0.00 0.00 55.97 55.03 1y18 s LYS 145 Cb -0.06 -3.12 0.01 0.00 -1.51 0.00 0.00 37.83 33.15 1y18 s LYS 145 CO -0.05 -0.06 -0.11 0.08 -0.36 0.00 0.00 175.35 174.85 1y18 s VAL 146 N 1.20 2.72 -0.10 4.02 1.01 -1.26 -0.75 120.40 127.23 1y18 s VAL 146 Ca 0.03 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.23 1y18 s VAL 146 Cb -0.14 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 1y18 s VAL 146 CO 0.01 0.42 -0.13 -1.10 0.00 0.00 0.00 175.10 174.30 1y18 s GLN 147 N 1.37 3.06 -0.04 2.72 -0.21 0.96 -4.95 119.66 122.57 1y18 s GLN 147 Ca 0.04 -0.68 -0.12 0.00 0.02 0.00 0.00 55.36 54.62 1y18 s GLN 147 Cb -0.14 -2.54 -0.05 0.00 1.00 0.00 0.00 33.01 31.27 1y18 s GLN 147 CO -0.08 0.37 0.32 -1.58 -2.12 0.00 0.00 175.29 172.20 1y18 s TRP 148 N -0.06 3.68 -0.06 0.91 0.52 -1.26 -0.12 118.94 122.55 1y18 s TRP 148 Ca -0.02 0.83 -0.01 0.00 0.02 0.00 0.00 56.10 56.91 1y18 s TRP 148 Cb -0.14 -2.16 0.03 0.00 -1.15 0.00 0.00 33.47 30.05 1y18 s TRP 148 CO 0.04 0.67 0.01 0.15 0.02 0.00 0.00 176.95 177.84 1y18 s LYS 149 N -1.10 0.45 -0.40 4.98 1.02 -0.64 -0.68 119.74 123.38 1y18 s LYS 149 Ca 0.21 0.15 -0.07 0.00 0.02 0.00 0.00 55.97 56.27 1y18 s LYS 149 Cb -0.15 -0.82 0.08 0.00 -0.52 0.00 0.00 37.83 36.41 1y18 s LYS 149 CO 0.10 -0.28 0.21 0.08 -0.92 0.00 0.00 175.35 174.55 1y18 s VAL 150 N 1.86 3.95 -1.25 3.17 1.01 -0.80 -1.47 120.40 126.87 1y18 s VAL 150 Ca 0.03 -1.45 -0.01 0.00 0.00 0.00 0.00 61.98 60.54 1y18 s VAL 150 Cb -0.12 -3.42 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 1y18 s VAL 150 CO -0.04 -0.46 0.81 0.47 0.00 0.00 0.00 175.10 175.88 1y18 n ASP 151 N 4.84 -2.02 -1.39 3.32 8.00 0.90 -1.94 116.55 128.26 1y18 n ASP 151 Ca -0.09 -0.76 -0.18 0.00 0.71 0.00 0.00 54.79 54.46 1y18 n ASP 151 Cb 0.43 -4.43 -0.08 0.00 -0.02 0.00 0.00 41.12 37.02 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 -3.07 -5.40 -4.31 -2.24 4.13 -1.26 -4.96 115.26 98.15 1y18 n ASN 152 Ca -0.27 0.45 -0.39 0.00 1.68 0.00 0.00 54.58 56.04 1y18 n ASN 152 Cb 0.67 -4.50 -0.11 0.00 -1.54 0.00 0.00 39.78 34.30 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 -2.60 3.20 0.03 5.41 0.00 -0.82 -5.04 121.76 121.94 1y18 s ALA 153 Ca 0.00 -1.87 -0.30 0.00 0.00 0.00 0.00 51.96 49.79 1y18 s ALA 153 Cb 0.00 -2.50 -0.09 0.00 0.00 0.00 0.00 23.12 20.53 1y18 s ALA 153 CO 0.00 -1.46 1.96 -1.17 0.00 0.00 0.00 175.76 175.09 1y18 s LEU 154 N 1.46 4.41 0.83 0.00 2.96 -1.26 -1.90 118.68 125.18 1y18 s LEU 154 Ca 0.01 2.64 -0.12 0.00 -0.22 0.00 0.00 54.13 56.44 1y18 s LEU 154 Cb -0.20 -3.53 0.09 0.00 0.50 0.00 0.00 46.19 43.05 1y18 s LEU 154 CO 0.04 -1.07 1.15 -1.10 -1.32 0.00 0.00 176.35 174.05 1y18 s GLN 155 N 4.48 1.80 -0.28 1.98 -1.52 0.15 -4.98 119.66 121.29 1y18 s GLN 155 Ca 0.88 0.27 -0.23 0.00 -1.95 0.00 0.00 55.36 54.33 1y18 s GLN 155 Cb -0.42 -1.92 0.13 0.00 -0.22 0.00 0.00 33.01 30.58 1y18 s GLN 155 CO 0.41 -1.74 1.03 -1.54 -0.25 0.00 0.00 175.29 173.20 1y18 s SER 156 N -4.29 -0.45 0.00 5.90 1.04 -1.26 -4.75 113.70 109.89 1y18 s SER 156 Ca 0.62 0.83 0.00 0.00 0.48 0.00 0.00 55.95 57.88 1y18 s SER 156 Cb -0.13 0.93 0.00 0.00 0.10 0.00 0.00 66.02 66.92 1y18 s SER 156 CO 0.51 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 175.20 1y18 n GLY 157 N 2.57 0.60 1.16 7.32 0.00 -1.26 -4.87 105.19 110.70 1y18 n GLY 157 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.10 2.09 -3.78 1.61 6.94 -1.26 -5.03 115.26 115.73 1y18 n ASN 158 Ca 0.00 -3.38 -0.13 0.00 -0.02 0.00 0.00 54.58 51.05 1y18 n ASN 158 Cb 0.05 -0.45 -0.11 0.00 -2.36 0.00 0.00 39.78 36.91 1y18 n ASN 158 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1y18 s SER 159 N -3.08 -0.27 0.07 0.53 1.04 -1.26 -1.75 113.70 108.97 1y18 s SER 159 Ca 0.39 0.49 0.07 0.00 0.48 0.00 0.00 55.95 57.37 1y18 s SER 159 Cb 0.38 0.54 -0.03 0.00 0.10 0.00 0.00 66.02 67.01 1y18 s SER 159 CO -0.07 -0.15 -0.19 -1.10 0.98 0.00 0.00 173.24 172.72 1y18 s GLN 160 N -0.07 1.15 0.19 4.02 -0.21 -0.71 -4.93 119.66 119.09 1y18 s GLN 160 Ca -0.02 -0.98 0.07 0.00 0.02 0.00 0.00 55.36 54.45 1y18 s GLN 160 Cb -0.03 -1.28 -0.05 0.00 1.00 0.00 0.00 33.01 32.66 1y18 s GLN 160 CO 0.01 0.31 -0.14 -1.83 -2.12 0.00 0.00 175.29 171.52 1y18 s GLU 161 N -1.47 1.27 0.02 2.91 -1.05 -1.26 -0.23 118.70 118.89 1y18 s GLU 161 Ca 0.05 -1.53 0.03 0.00 -0.15 0.00 0.00 54.97 53.37 1y18 s GLU 161 Cb -0.09 -1.07 -0.01 0.00 -0.44 0.00 0.00 34.13 32.51 1y18 s GLU 161 CO 0.03 0.18 -0.09 -1.12 0.95 0.00 0.00 175.26 175.21 1y18 s SER 162 N -3.17 1.03 0.01 0.83 0.01 -0.08 -4.97 113.70 107.36 1y18 s SER 162 Ca 0.20 -0.33 0.04 0.00 1.31 0.00 0.00 55.95 57.18 1y18 s SER 162 Cb -0.01 -0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.15 1y18 s SER 162 CO 0.06 -0.01 -0.14 0.54 0.41 0.00 0.00 173.24 174.10 1y18 s VAL 163 N -0.69 1.09 0.76 3.43 0.11 -1.26 -0.88 120.40 122.96 1y18 s VAL 163 Ca -0.01 -0.73 -0.08 0.00 -2.93 0.00 0.00 61.98 58.22 1y18 s VAL 163 Cb -0.06 -0.94 0.09 0.00 -1.53 0.00 0.00 36.38 33.94 1y18 s VAL 163 CO 0.00 0.20 1.08 0.42 -3.33 0.00 0.00 175.10 173.47 1y18 s THR 164 N -0.51 2.18 0.53 5.04 -4.23 0.04 -4.99 115.64 113.70 1y18 s THR 164 Ca 0.04 -0.21 -0.17 0.00 -1.18 0.00 0.00 61.69 60.17 1y18 s THR 164 Cb -0.06 -2.97 -0.07 0.00 1.34 0.00 0.00 72.50 70.74 1y18 s THR 164 CO 0.00 0.00 1.01 -1.61 -0.54 0.00 0.00 174.62 173.48 1y18 s GLU 165 N -5.38 3.76 -0.12 3.99 0.41 -1.26 -4.57 118.70 115.54 1y18 s GLU 165 Ca 0.63 1.08 -0.36 0.00 -0.41 0.00 0.00 54.97 55.91 1y18 s GLU 165 Cb -0.09 -2.10 -0.13 0.00 -1.78 0.00 0.00 34.13 30.02 1y18 s GLU 165 CO 0.46 -0.43 1.82 0.94 -0.49 0.00 0.00 175.26 177.56 1y18 n GLN 166 N -1.60 1.91 -1.71 1.61 7.27 -1.26 -4.75 117.38 118.85 1y18 n GLN 166 Ca 0.07 0.70 -0.43 0.00 0.07 0.00 0.00 57.00 57.41 1y18 n GLN 166 Cb 0.54 -2.50 -0.03 0.00 2.41 0.00 0.00 30.24 30.66 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 6.06 3.70 -0.02 1.69 2.03 0.11 -4.85 116.55 125.27 1y18 n ASP 167 Ca 0.23 1.09 0.02 0.00 0.52 0.00 0.00 54.79 56.65 1y18 n ASP 167 Cb 0.25 -1.54 0.37 0.00 -0.72 0.00 0.00 41.12 39.48 1y18 n ASP 167 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1y18 h SER 168 N 5.98 0.52 0.00 1.67 0.87 -1.90 0.14 113.55 120.82 1y18 h SER 168 Ca -0.44 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1y18 h SER 168 Cb 1.22 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 1y18 h SER 168 CO 0.89 0.44 0.00 0.29 -0.53 0.00 0.00 176.83 177.92 1y18 n LYS 169 N -4.41 0.00 0.00 2.24 4.76 -1.26 -4.45 118.16 115.04 1y18 n LYS 169 Ca 0.03 0.08 0.15 0.00 -2.87 0.00 0.00 58.31 55.70 1y18 n LYS 169 Cb 0.11 -0.70 0.82 0.00 -1.84 0.00 0.00 35.03 33.42 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 -0.74 0.33 -2.20 4.39 5.68 -1.26 -4.92 116.55 117.84 1y18 n ASP 170 Ca 0.00 -0.99 -0.20 0.00 -0.50 0.00 0.00 54.79 53.11 1y18 n ASP 170 Cb 0.00 -0.03 -0.03 0.00 -1.14 0.00 0.00 41.12 39.92 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 -0.79 -5.50 -4.96 -1.12 7.64 0.47 -4.96 113.62 104.40 1y18 n SER 171 Ca 0.21 0.13 -0.20 0.00 1.01 0.00 0.00 58.87 60.03 1y18 n SER 171 Cb 0.18 -4.66 0.01 0.00 -1.01 0.00 0.00 64.21 58.74 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 -2.90 2.52 0.25 0.44 -4.23 -1.25 -4.61 115.64 105.86 1y18 s THR 172 Ca 0.00 -1.16 0.11 0.00 -1.18 0.00 0.00 61.69 59.46 1y18 s THR 172 Cb 0.00 -2.68 -0.05 0.00 1.34 0.00 0.00 72.50 71.11 1y18 s THR 172 CO 0.00 0.00 -0.17 -0.31 -0.54 0.00 0.00 174.62 173.60 1y18 s TYR 173 N -2.52 2.37 -0.02 3.99 2.02 -0.23 0.09 117.35 123.05 1y18 s TYR 173 Ca 0.52 -0.31 0.01 0.00 -0.37 0.00 0.00 57.07 56.92 1y18 s TYR 173 Cb -0.06 -1.07 0.01 0.00 -0.40 0.00 0.00 41.96 40.44 1y18 s TYR 173 CO 0.32 0.64 -0.04 -1.12 -1.57 0.00 0.00 175.55 173.78 1y18 s SER 174 N -3.30 0.66 0.12 2.29 0.01 -1.26 -0.75 113.70 111.46 1y18 s SER 174 Ca 0.28 -0.09 0.05 0.00 1.31 0.00 0.00 55.95 57.50 1y18 s SER 174 Cb -0.06 -0.23 -0.04 0.00 0.21 0.00 0.00 66.02 65.91 1y18 s SER 174 CO 0.15 -0.01 -0.13 -0.22 0.41 0.00 0.00 173.24 173.43 1y18 s LEU 175 N 0.48 2.41 -0.01 2.44 0.20 0.18 -0.78 118.68 123.59 1y18 s LEU 175 Ca -0.05 -0.82 0.01 0.00 0.69 0.00 0.00 54.13 53.96 1y18 s LEU 175 Cb -0.09 -0.49 0.00 0.00 -0.43 0.00 0.00 46.19 45.19 1y18 s LEU 175 CO -0.00 -0.18 -0.04 -0.94 -0.29 0.00 0.00 176.35 174.90 1y18 s SER 176 N -2.49 0.53 -0.10 3.68 1.04 -0.06 -0.51 113.70 115.79 1y18 s SER 176 Ca 0.09 -0.08 0.04 0.00 0.48 0.00 0.00 55.95 56.48 1y18 s SER 176 Cb -0.04 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 65.98 1y18 s SER 176 CO 0.02 0.03 -0.23 -0.55 0.98 0.00 0.00 173.24 173.49 1y18 s SER 177 N 0.10 2.99 -0.18 7.02 0.15 0.35 -0.90 113.70 123.22 1y18 s SER 177 Ca -0.01 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.10 1y18 s SER 177 Cb -0.04 -1.36 0.01 0.00 -1.71 0.00 0.00 66.02 62.92 1y18 s SER 177 CO -0.00 0.15 -0.17 -0.89 1.20 0.00 0.00 173.24 173.53 1y18 s THR 178 N 0.36 2.33 -0.22 6.45 2.01 0.68 -0.21 115.64 127.04 1y18 s THR 178 Ca -0.19 -0.85 -0.14 0.00 0.31 0.00 0.00 61.69 60.82 1y18 s THR 178 Cb -0.18 -1.99 -0.04 0.00 0.01 0.00 0.00 72.50 70.30 1y18 s THR 178 CO 0.09 0.52 0.34 -0.22 -0.69 0.00 0.00 174.62 174.65 1y18 s LEU 179 N 1.29 4.13 -0.16 4.42 2.96 0.58 -1.74 118.68 130.15 1y18 s LEU 179 Ca 0.04 0.39 -0.01 0.00 -0.22 0.00 0.00 54.13 54.33 1y18 s LEU 179 Cb -0.13 -2.41 -0.01 0.00 0.50 0.00 0.00 46.19 44.14 1y18 s LEU 179 CO -0.10 -0.06 -0.11 -0.89 -1.32 0.00 0.00 176.35 173.86 1y18 s THR 180 N 1.37 3.00 0.11 3.68 2.01 -0.72 -0.12 115.64 124.97 1y18 s THR 180 Ca 0.16 -0.65 0.04 0.00 0.31 0.00 0.00 61.69 61.55 1y18 s THR 180 Cb -0.15 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.03 1y18 s THR 180 CO 0.07 0.49 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.63 1y18 s LEU 181 N 0.84 2.44 0.51 4.42 1.43 0.06 -4.89 118.68 123.49 1y18 s LEU 181 Ca -0.04 -0.87 -0.19 0.00 -1.03 0.00 0.00 54.13 52.00 1y18 s LEU 181 Cb -0.15 -0.34 -0.07 0.00 0.03 0.00 0.00 46.19 45.65 1y18 s LEU 181 CO 0.00 -0.27 1.05 -0.94 0.23 0.00 0.00 176.35 176.43 1y18 s SER 182 N -2.64 6.15 0.39 2.29 1.04 -1.26 -0.20 113.70 119.48 1y18 s SER 182 Ca 0.09 1.94 0.15 0.00 0.48 0.00 0.00 55.95 58.61 1y18 s SER 182 Cb -0.02 -2.56 1.01 0.00 0.10 0.00 0.00 66.02 64.56 1y18 s SER 182 CO 0.00 -0.91 1.83 0.50 0.98 0.00 0.00 173.24 175.65 1y18 h LYS 183 N 1.30 0.47 0.23 4.02 3.64 -0.36 -1.68 116.57 124.19 1y18 h LYS 183 Ca -0.49 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 58.86 1y18 h LYS 183 Cb 1.23 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 1y18 h LYS 183 CO 0.58 0.31 -0.24 0.00 -2.27 0.00 0.00 179.45 177.84 1y18 h ALA 184 N 1.61 -0.93 -0.83 5.00 0.00 -1.90 -1.83 119.26 120.39 1y18 h ALA 184 Ca 0.50 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.45 1y18 h ALA 184 Cb 1.13 0.49 -0.08 0.00 0.00 0.00 0.00 17.79 19.33 1y18 h ALA 184 CO -0.22 -0.95 0.44 -0.44 0.00 0.00 0.00 179.25 178.08 1y18 h ASP 185 N -0.46 0.57 -1.00 0.00 5.19 -1.80 -1.04 116.42 117.88 1y18 h ASP 185 Ca -0.03 0.07 0.09 0.00 -0.62 0.00 0.00 57.03 56.55 1y18 h ASP 185 Cb 0.40 -0.03 -0.08 0.00 0.18 0.00 0.00 39.33 39.81 1y18 h ASP 185 CO -0.03 0.28 0.64 0.22 -3.12 0.00 0.00 179.24 177.22 1y18 h TYR 186 N 0.68 1.16 0.00 4.55 3.20 -1.13 0.77 116.97 126.19 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 0.52 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.42 1y18 h TYR 186 CO -0.08 0.53 0.00 0.39 -1.64 0.00 0.00 178.16 177.36 1y18 n GLU 187 N -4.56 0.15 -0.03 1.82 -0.58 -0.45 -3.12 120.64 113.87 1y18 n GLU 187 Ca 0.17 0.20 0.12 0.00 -0.42 0.00 0.00 57.16 57.23 1y18 n GLU 187 Cb 0.27 -1.70 0.55 0.00 -0.57 0.00 0.00 31.44 29.99 1y18 n GLU 187 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1y18 n LYS 188 N -1.97 1.45 -4.16 3.49 4.76 0.26 -4.90 118.16 117.09 1y18 n LYS 188 Ca 0.05 -0.66 -0.10 0.00 -2.87 0.00 0.00 58.31 54.73 1y18 n LYS 188 Cb 0.34 -1.42 -0.10 0.00 -1.84 0.00 0.00 35.03 32.01 1y18 n LYS 188 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1y18 s HIS 189 N -1.93 0.86 -0.01 2.13 3.76 -1.18 -5.09 115.29 113.84 1y18 s HIS 189 Ca 0.36 -1.15 -0.07 0.00 -0.15 0.00 0.00 55.06 54.05 1y18 s HIS 189 Cb 0.18 -0.50 -0.02 0.00 1.11 0.00 0.00 32.58 33.35 1y18 s HIS 189 CO 0.29 -0.41 -0.13 1.17 -0.85 0.00 0.00 174.74 174.81 1y18 n LYS 190 N -0.08 0.20 -2.75 1.40 4.81 -1.26 -4.70 118.16 115.77 1y18 n LYS 190 Ca -0.08 0.08 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 1y18 n LYS 190 Cb 0.63 -0.84 -0.03 0.00 0.02 0.00 0.00 35.03 34.81 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 -2.31 4.76 -0.24 3.15 1.01 -1.26 -0.26 120.40 125.24 1y18 s VAL 191 Ca -0.11 1.87 0.02 0.00 0.00 0.00 0.00 61.98 63.76 1y18 s VAL 191 Cb 0.01 -4.24 0.05 0.00 0.00 0.00 0.00 36.38 32.21 1y18 s VAL 191 CO 0.16 -0.09 -0.12 -0.31 0.00 0.00 0.00 175.10 174.74 1y18 s TYR 192 N 2.77 3.08 0.09 5.22 2.02 -0.14 -0.07 117.35 130.30 1y18 s TYR 192 Ca 0.42 -2.14 0.07 0.00 -0.37 0.00 0.00 57.07 55.05 1y18 s TYR 192 Cb -0.16 -1.88 -0.03 0.00 -0.40 0.00 0.00 41.96 39.49 1y18 s TYR 192 CO 0.09 -0.85 -0.19 0.00 -1.57 0.00 0.00 175.55 173.03 1y18 s ALA 193 N 1.17 1.65 -0.23 3.71 0.00 -0.54 -1.31 121.76 126.21 1y18 s ALA 193 Ca -0.06 -1.16 -0.01 0.00 0.00 0.00 0.00 51.96 50.72 1y18 s ALA 193 Cb -0.19 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 22.73 1y18 s ALA 193 CO -0.06 0.32 -0.09 0.00 0.00 0.00 0.00 175.76 175.93 1y18 s GLU 195 N 1.35 3.69 -0.13 0.00 2.12 0.83 -1.56 118.70 125.00 1y18 s GLU 195 Ca 0.02 -0.46 -0.02 0.00 0.36 0.00 0.00 54.97 54.87 1y18 s GLU 195 Cb -0.15 -3.31 -0.02 0.00 0.26 0.00 0.00 34.13 30.90 1y18 s GLU 195 CO -0.06 -0.14 -0.07 0.08 -0.54 0.00 0.00 175.26 174.53 1y18 s VAL 196 N 1.48 3.59 -0.12 3.70 1.01 0.10 -0.03 120.40 130.14 1y18 s VAL 196 Ca 0.06 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.59 1y18 s VAL 196 Cb -0.15 -2.54 0.01 0.00 0.00 0.00 0.00 36.38 33.70 1y18 s VAL 196 CO 0.04 0.52 -0.22 -0.89 0.00 0.00 0.00 175.10 174.55 1y18 s THR 197 N 0.13 2.01 -0.03 3.92 2.01 0.07 -1.23 115.64 122.52 1y18 s THR 197 Ca -0.03 -0.97 -0.23 0.00 0.31 0.00 0.00 61.69 60.77 1y18 s THR 197 Cb -0.14 -1.75 0.05 0.00 0.01 0.00 0.00 72.50 70.66 1y18 s THR 197 CO 0.03 0.54 0.50 -2.28 -0.69 0.00 0.00 174.62 172.73 1y18 s HIS 198 N 0.57 -0.43 0.42 4.92 2.46 -1.26 -1.27 115.29 120.70 1y18 s HIS 198 Ca -0.13 0.71 0.20 0.00 0.47 0.00 0.00 55.06 56.30 1y18 s HIS 198 Cb -0.17 0.26 1.14 0.00 -0.13 0.00 0.00 32.58 33.68 1y18 s HIS 198 CO 0.04 -0.51 1.82 0.37 -2.47 0.00 0.00 174.74 173.99 1y18 h GLN 199 N 3.40 0.35 0.00 2.88 4.15 -1.92 0.18 115.11 124.15 1y18 h GLN 199 Ca -0.28 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.12 1y18 h GLN 199 Cb 1.16 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.77 1y18 h GLN 199 CO 0.40 0.23 0.00 0.41 -1.93 0.00 0.00 178.83 177.94 1y18 n GLY 200 N -1.52 -0.94 3.23 2.39 0.00 -1.26 -4.70 105.19 102.38 1y18 n GLY 200 Ca 0.22 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.67 2.34 0.30 0.99 1.43 0.64 -4.50 118.68 118.20 1y18 s LEU 201 Ca 0.30 -0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 52.87 1y18 s LEU 201 Cb 0.14 -1.52 0.45 0.00 0.03 0.00 0.00 46.19 45.29 1y18 s LEU 201 CO 0.23 0.08 1.89 0.77 0.23 0.00 0.00 176.35 179.55 1y18 h SER 202 N 7.35 0.80 -4.49 2.29 4.64 -1.84 -3.43 113.55 118.87 1y18 h SER 202 Ca -0.33 -0.09 -0.19 0.00 -0.47 0.00 0.00 61.79 60.70 1y18 h SER 202 Cb 1.19 -0.21 -0.24 0.00 -0.31 0.00 0.00 62.40 62.83 1y18 h SER 202 CO 0.57 0.71 -0.71 -0.94 -0.87 0.00 0.00 176.83 175.58 1y18 s SER 203 N -6.50 0.15 0.31 4.97 1.04 -1.26 -5.13 113.70 107.28 1y18 s SER 203 Ca -0.10 -0.30 -0.29 0.00 0.48 0.00 0.00 55.95 55.73 1y18 s SER 203 Cb 0.16 0.06 -0.13 0.00 0.10 0.00 0.00 66.02 66.22 1y18 s SER 203 CO 0.79 -0.18 1.33 -0.81 0.98 0.00 0.00 173.24 175.35 1y18 n PRO 204 N 2.18 2.09 -3.65 4.02 -0.04 -1.26 -4.96 135.00 133.38 1y18 n PRO 204 Ca -0.19 0.74 -0.37 0.00 -0.04 0.00 0.00 63.50 63.63 1y18 n PRO 204 Cb 0.57 -2.34 -0.06 0.00 -0.04 0.00 0.00 33.50 31.63 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 -0.75 5.26 -0.11 0.52 1.01 -0.36 -4.88 120.40 121.08 1y18 s VAL 205 Ca 0.60 0.55 0.03 0.00 0.00 0.00 0.00 61.98 63.15 1y18 s VAL 205 Cb -0.59 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.22 1y18 s VAL 205 CO 0.58 0.56 -0.19 -0.89 0.00 0.00 0.00 175.10 175.17 1y18 s THR 206 N -0.81 1.74 -0.10 3.92 2.01 -1.26 0.01 115.64 121.15 1y18 s THR 206 Ca 0.19 -0.80 0.03 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 -0.20 -0.54 -0.69 0.00 0.00 174.62 173.76 1y18 s LYS 207 N 0.74 3.05 0.34 4.92 -0.14 -0.60 -4.94 119.74 123.10 1y18 s LYS 207 Ca -0.11 -0.82 -0.06 0.00 -1.36 0.00 0.00 55.97 53.62 1y18 s LYS 207 Cb -0.16 -2.38 0.01 0.00 -1.68 0.00 0.00 37.83 33.62 1y18 s LYS 207 CO 0.02 0.24 0.55 -1.54 -0.76 0.00 0.00 175.35 173.86 1y18 s SER 208 N 0.21 0.61 0.03 2.83 1.04 -1.26 -0.07 113.70 117.09 1y18 s SER 208 Ca -0.13 -1.35 -0.27 0.00 0.48 0.00 0.00 55.95 54.68 1y18 s SER 208 Cb -0.16 0.70 0.06 0.00 0.10 0.00 0.00 66.02 66.72 1y18 s SER 208 CO 0.07 -1.37 0.61 0.72 0.98 0.00 0.00 173.24 174.25 1y18 s PHE 209 N -2.99 -0.56 -0.23 5.02 -0.12 -0.42 -4.99 117.98 113.69 1y18 s PHE 209 Ca 0.26 0.75 -0.08 0.00 -0.05 0.00 0.00 56.93 57.81 1y18 s PHE 209 Cb -0.01 0.43 -0.04 0.00 -0.63 0.00 0.00 43.02 42.76 1y18 s PHE 209 CO 0.17 -0.68 0.10 -0.80 -0.05 0.00 0.00 175.22 173.96 1y18 s ASN 210 N -1.78 5.58 0.05 1.98 0.01 -1.26 -0.97 114.94 118.55 1y18 s ASN 210 Ca -0.07 -0.03 -0.37 0.00 -0.71 0.00 0.00 52.86 51.69 1y18 s ASN 210 Cb -0.01 -1.99 -0.17 0.00 0.41 0.00 0.00 41.25 39.50 1y18 s ASN 210 CO 0.01 0.06 1.39 -1.14 -1.51 0.00 0.00 177.10 175.91 1y18 n ARG 211 N 4.33 1.17 0.00 -0.60 0.63 0.64 -0.42 116.66 122.41 1y18 n ARG 211 Ca -0.16 0.42 0.00 0.00 -0.92 0.00 0.00 57.85 57.19 1y18 n ARG 211 Cb 0.52 -2.07 0.00 0.00 0.45 0.00 0.00 32.46 31.36 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 2.73 2.88 3.71 5.14 0.00 -1.26 -4.98 105.19 113.40 1y18 n GLY 212 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.08 4.43 0.00 1.61 2.02 0.44 -5.30 118.70 121.82 1y18 s GLU 213 Ca 0.00 1.71 0.00 0.00 0.02 0.00 0.00 54.97 56.70 1y18 s GLU 213 Cb 0.00 -3.41 0.00 0.00 0.10 0.00 0.00 34.13 30.82 1y18 s GLU 213 CO 0.00 -0.28 0.43 0.00 0.02 0.00 0.00 175.26 175.43