#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y18 n LEU 2 N 0.00 1.28 -3.90 -1.84 7.94 -1.26 -4.95 117.00 114.28 1y18 n LEU 2 Ca 0.00 1.13 -0.29 0.00 -1.11 0.00 0.00 56.01 55.74 1y18 n LEU 2 Cb 0.00 -1.16 -0.16 0.00 0.53 0.00 0.00 43.42 42.63 1y18 n LEU 2 CO 0.00 -1.33 -0.42 -0.69 -1.11 0.00 0.00 177.39 173.84 1y18 s VAL 3 N 0.10 1.25 -0.06 1.96 1.01 -1.26 -4.98 120.40 118.42 1y18 s VAL 3 Ca 0.80 -0.91 -0.22 0.00 0.00 0.00 0.00 61.98 61.65 1y18 s VAL 3 Cb -0.95 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 1y18 s VAL 3 CO 0.51 -0.02 0.66 -0.69 0.00 0.00 0.00 175.10 175.56 1y18 s VAL 4 N 1.54 5.03 -0.01 2.92 1.01 -1.26 -2.14 120.40 127.50 1y18 s VAL 4 Ca -0.03 1.36 0.07 0.00 0.00 0.00 0.00 61.98 63.39 1y18 s VAL 4 Cb -0.17 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 1y18 s VAL 4 CO -0.07 0.29 -0.22 -0.89 0.00 0.00 0.00 175.10 174.20 1y18 s THR 5 N 0.60 1.78 0.09 3.92 2.01 -0.06 -3.99 115.64 120.00 1y18 s THR 5 Ca 0.35 -0.99 0.02 0.00 0.31 0.00 0.00 61.69 61.38 1y18 s THR 5 Cb -0.18 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 1y18 s THR 5 CO 0.17 0.48 -0.07 -1.10 -0.69 0.00 0.00 174.62 173.41 1y18 s GLN 6 N -0.59 0.80 0.22 4.92 -0.21 -1.26 -1.39 119.66 122.14 1y18 s GLN 6 Ca 0.09 -1.23 -0.31 0.00 0.02 0.00 0.00 55.36 53.92 1y18 s GLN 6 Cb -0.09 -0.27 -0.10 0.00 1.00 0.00 0.00 33.01 33.55 1y18 s GLN 6 CO -0.01 0.01 1.55 -1.21 -2.12 0.00 0.00 175.29 173.51 1y18 s GLU 7 N -3.38 4.20 0.16 2.91 8.01 -1.26 -4.86 118.70 124.49 1y18 s GLU 7 Ca 0.08 2.41 -0.15 0.00 0.01 0.00 0.00 54.97 57.32 1y18 s GLU 7 Cb 0.02 -3.11 0.05 0.00 -4.31 0.00 0.00 34.13 26.78 1y18 s GLU 7 CO -0.03 -0.57 1.81 0.66 0.01 0.00 0.00 175.26 177.14 1y18 h SER 8 N 5.89 0.46 -5.04 -0.19 4.64 -1.96 -3.36 113.55 113.98 1y18 h SER 8 Ca -0.44 -0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.76 1y18 h SER 8 Cb 1.21 -0.10 -0.18 0.00 -0.31 0.00 0.00 62.40 63.02 1y18 h SER 8 CO 0.85 0.33 -0.36 0.00 -0.87 0.00 0.00 176.83 176.78 1y18 s ALA 9 N -6.15 -0.47 -0.01 5.18 0.00 -1.26 -0.57 121.76 118.47 1y18 s ALA 9 Ca -0.13 -0.13 -0.07 0.00 0.00 0.00 0.00 51.96 51.64 1y18 s ALA 9 Cb 0.12 0.24 0.00 0.00 0.00 0.00 0.00 23.12 23.48 1y18 s ALA 9 CO 0.73 -0.34 0.14 -0.51 0.00 0.00 0.00 175.76 175.78 1y18 s LEU 11 N -1.88 1.53 -0.05 0.00 1.43 -0.40 -4.91 118.68 114.40 1y18 s LEU 11 Ca -0.08 -0.07 0.03 0.00 -1.03 0.00 0.00 54.13 52.98 1y18 s LEU 11 Cb -0.02 0.62 0.01 0.00 0.03 0.00 0.00 46.19 46.82 1y18 s LEU 11 CO -0.02 -0.28 -0.12 -0.89 0.23 0.00 0.00 176.35 175.27 1y18 s THR 12 N -0.97 1.06 0.14 5.49 2.01 -1.26 -0.34 115.64 121.76 1y18 s THR 12 Ca -0.11 -0.48 -0.01 0.00 0.31 0.00 0.00 61.69 61.41 1y18 s THR 12 Cb -0.06 -0.95 -0.04 0.00 0.01 0.00 0.00 72.50 71.46 1y18 s THR 12 CO 0.01 0.33 0.05 0.28 -0.69 0.00 0.00 174.62 174.59 1y18 s THR 13 N 0.37 0.20 0.12 -0.82 -1.32 -0.31 -4.97 115.64 108.92 1y18 s THR 13 Ca -0.08 -1.92 0.02 0.00 -1.21 0.00 0.00 61.69 58.50 1y18 s THR 13 Cb -0.12 -2.05 -0.04 0.00 -1.51 0.00 0.00 72.50 68.78 1y18 s THR 13 CO 0.02 -0.48 0.21 -0.44 -2.21 0.00 0.00 174.62 171.72 1y18 s SER 14 N -3.07 6.07 0.60 8.08 0.01 -1.26 0.20 113.70 124.33 1y18 s SER 14 Ca 0.24 0.11 -0.18 0.00 1.31 0.00 0.00 55.95 57.43 1y18 s SER 14 Cb 0.07 -1.77 -0.06 0.00 0.21 0.00 0.00 66.02 64.47 1y18 s SER 14 CO 0.02 0.11 0.77 -2.65 0.41 0.00 0.00 173.24 171.90 1y18 n PRO 15 N -0.13 0.69 0.00 12.44 -0.02 -1.26 -1.62 135.00 145.09 1y18 n PRO 15 Ca -0.07 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1y18 n PRO 15 Cb 0.53 -1.97 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 1.50 2.36 3.90 -1.23 0.00 0.45 -4.85 105.19 107.32 1y18 n GLY 16 Ca 0.13 0.00 -0.30 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 0.84 -0.08 1.61 2.02 -0.64 -3.77 118.70 118.68 1y18 s GLU 17 Ca 0.00 -0.25 0.04 0.00 0.02 0.00 0.00 54.97 54.78 1y18 s GLU 17 Cb 0.00 -1.85 -0.01 0.00 0.10 0.00 0.00 34.13 32.37 1y18 s GLU 17 CO 0.00 -2.30 -0.22 0.99 0.02 0.00 0.00 175.26 173.74 1y18 s THR 18 N -3.75 2.28 0.06 3.63 2.01 -1.26 -0.46 115.64 118.14 1y18 s THR 18 Ca 0.71 -0.96 0.03 0.00 0.31 0.00 0.00 61.69 61.78 1y18 s THR 18 Cb -0.06 -1.87 -0.03 0.00 0.01 0.00 0.00 72.50 70.55 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 0.06 0.78 -0.07 3.82 0.11 -0.15 -5.00 120.40 119.96 1y18 s VAL 19 Ca -0.09 -1.22 0.01 0.00 -2.93 0.00 0.00 61.98 57.75 1y18 s VAL 19 Cb -0.15 -0.85 0.02 0.00 -1.53 0.00 0.00 36.38 33.86 1y18 s VAL 19 CO 0.06 -0.35 -0.08 -0.89 -3.33 0.00 0.00 175.10 170.51 1y18 s THR 20 N -1.47 0.85 -0.13 5.04 2.01 -1.26 -0.47 115.64 120.21 1y18 s THR 20 Ca -0.05 -0.28 -0.06 0.00 0.31 0.00 0.00 61.69 61.61 1y18 s THR 20 Cb -0.09 -0.83 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 1y18 s THR 20 CO 0.01 0.30 0.10 -0.76 -0.69 0.00 0.00 174.62 173.58 1y18 s LEU 21 N 1.02 4.10 0.33 4.42 1.02 0.29 -4.94 118.68 124.91 1y18 s LEU 21 Ca -0.09 0.31 0.08 0.00 0.02 0.00 0.00 54.13 54.45 1y18 s LEU 21 Cb -0.14 -2.00 -0.04 0.00 0.02 0.00 0.00 46.19 44.02 1y18 s LEU 21 CO -0.00 0.34 0.14 0.42 0.02 0.00 0.00 176.35 177.27 1y18 s THR 22 N -0.60 3.11 -0.15 5.49 -4.23 -1.26 -0.97 115.64 117.02 1y18 s THR 22 Ca 0.12 -1.68 -0.05 0.00 -1.18 0.00 0.00 61.69 58.90 1y18 s THR 22 Cb -0.12 -2.99 0.06 0.00 1.34 0.00 0.00 72.50 70.79 1y18 s THR 22 CO 0.02 -0.20 0.09 0.00 -0.54 0.00 0.00 174.62 173.99 1y18 s ARG 24 N 2.14 1.76 0.00 0.00 1.70 -0.49 -1.06 118.95 123.02 1y18 s ARG 24 Ca 0.02 -1.18 -0.10 0.00 -0.47 0.00 0.00 55.73 54.01 1y18 s ARG 24 Cb -0.16 -2.09 -0.05 0.00 -0.57 0.00 0.00 34.95 32.09 1y18 s ARG 24 CO -0.08 0.48 0.32 0.45 -1.08 0.00 0.00 175.30 175.39 1y18 s SER 25 N -2.01 6.61 0.25 -2.89 0.15 -1.25 -0.88 113.70 113.68 1y18 s SER 25 Ca 0.17 0.73 0.25 0.00 0.70 0.00 0.00 55.95 57.79 1y18 s SER 25 Cb -0.10 -2.16 0.66 0.00 -1.71 0.00 0.00 66.02 62.71 1y18 s SER 25 CO 0.09 0.28 1.69 0.77 1.20 0.00 0.00 173.24 177.27 1y18 h SER 26 N 4.28 0.00 -0.64 5.45 4.64 -1.81 -3.17 113.55 122.30 1y18 h SER 26 Ca -0.51 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 1y18 h SER 26 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1y18 h SER 26 CO 0.63 0.01 0.00 -1.54 -0.87 0.00 0.00 176.83 175.06 1y18 n SER 27 N -2.44 4.29 0.00 4.97 3.41 -1.26 -4.94 113.62 117.64 1y18 n SER 27 Ca 0.05 -2.30 0.00 0.00 -0.26 0.00 0.00 58.87 56.36 1y18 n SER 27 Cb 0.46 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 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 1.24 0.77 3.76 5.00 0.00 -1.20 -5.07 105.19 109.69 1y18 n GLY 27 Ca 0.24 -2.05 -0.39 0.00 0.00 0.00 0.00 46.02 43.82 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 -1.38 3.33 0.27 4.61 0.00 -1.26 -3.92 121.76 123.41 1y18 s ALA 27 Ca 0.00 0.92 -0.29 0.00 0.00 0.00 0.00 51.96 52.58 1y18 s ALA 27 Cb 0.00 -3.34 -0.09 0.00 0.00 0.00 0.00 23.12 19.68 1y18 s ALA 27 CO 0.00 -0.28 1.05 0.08 0.00 0.00 0.00 175.76 176.61 1y18 s VAL 27 N -1.27 3.67 0.13 0.00 1.01 0.42 -4.96 120.40 119.40 1y18 s VAL 27 Ca 0.49 1.68 0.01 0.00 0.00 0.00 0.00 61.98 64.16 1y18 s VAL 27 Cb -0.31 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 1y18 s VAL 27 CO 0.40 0.39 -0.02 0.42 0.00 0.00 0.00 175.10 176.29 1y18 s THR 28 N -1.18 0.60 0.39 3.92 -4.23 -1.26 -4.73 115.64 109.14 1y18 s THR 28 Ca 0.44 -1.95 0.23 0.00 -1.18 0.00 0.00 61.69 59.23 1y18 s THR 28 Cb -0.30 -1.91 0.39 0.00 1.34 0.00 0.00 72.50 72.03 1y18 s THR 28 CO 0.38 -0.66 1.61 0.74 -0.54 0.00 0.00 174.62 176.15 1y18 h THR 29 N 2.84 0.09 0.00 3.99 2.02 -1.98 1.01 112.91 120.88 1y18 h THR 29 Ca -0.36 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 66.79 1y18 h THR 29 Cb 1.18 -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 -5.04 0.00 0.00 4.18 3.41 -1.26 -1.26 113.62 113.66 1y18 n SER 30 Ca 0.37 -0.63 0.11 0.00 -0.26 0.00 0.00 58.87 58.45 1y18 n SER 30 Cb 1.29 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 65.26 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 -0.95 0.74 -4.17 4.04 4.13 0.35 -4.80 115.26 114.59 1y18 n ASN 31 Ca 0.13 -0.58 -0.31 0.00 1.68 0.00 0.00 54.58 55.49 1y18 n ASN 31 Cb 0.06 0.74 -0.05 0.00 -1.54 0.00 0.00 39.78 38.99 1y18 n ASN 31 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1y18 n TYR 32 N -1.60 -1.54 -1.44 3.10 4.01 -0.39 -0.36 117.16 118.94 1y18 n TYR 32 Ca 0.04 0.73 -0.55 0.00 -0.16 0.00 0.00 57.90 57.96 1y18 n TYR 32 Cb 0.36 -3.13 -0.07 0.00 -0.31 0.00 0.00 39.34 36.19 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 -4.41 -3.41 -2.71 -0.72 0.00 -1.26 -3.95 120.51 104.05 1y18 n ALA 33 Ca -0.17 0.55 -0.14 0.00 0.00 0.00 0.00 53.44 53.68 1y18 n ALA 33 Cb 0.61 -1.68 -0.11 0.00 0.00 0.00 0.00 19.45 18.27 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 -0.20 0.77 0.08 0.00 -1.32 -0.77 0.01 115.64 114.20 1y18 s THR 34 Ca 0.83 -1.30 0.09 0.00 -1.21 0.00 0.00 61.69 60.10 1y18 s THR 34 Cb -1.16 -0.94 -0.03 0.00 -1.51 0.00 0.00 72.50 68.86 1y18 s THR 34 CO 0.55 -0.40 -0.23 0.26 -2.21 0.00 0.00 174.62 172.59 1y18 s TRP 35 N -1.69 1.99 -0.01 9.09 0.52 -0.67 -1.32 118.94 126.86 1y18 s TRP 35 Ca -0.04 -0.39 0.02 0.00 0.02 0.00 0.00 56.10 55.71 1y18 s TRP 35 Cb -0.08 -1.14 -0.01 0.00 -1.15 0.00 0.00 33.47 31.10 1y18 s TRP 35 CO 0.00 0.18 -0.08 0.08 0.02 0.00 0.00 176.95 177.15 1y18 s VAL 36 N -0.95 0.62 -0.13 4.03 1.01 0.61 -0.46 120.40 125.12 1y18 s VAL 36 Ca 0.09 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 1y18 s VAL 36 Cb -0.10 -0.52 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 1y18 s VAL 36 CO 0.03 0.18 -0.07 -1.58 0.00 0.00 0.00 175.10 173.66 1y18 s GLN 37 N -0.17 3.42 -0.26 2.72 0.74 0.38 -0.13 119.66 126.37 1y18 s GLN 37 Ca 0.03 -0.57 -0.06 0.00 0.05 0.00 0.00 55.36 54.81 1y18 s GLN 37 Cb -0.03 -2.78 -0.00 0.00 1.10 0.00 0.00 33.01 31.30 1y18 s GLN 37 CO -0.00 0.32 0.03 -2.00 -0.55 0.00 0.00 175.29 173.08 1y18 s GLU 38 N 0.13 3.29 0.21 1.67 2.12 0.62 -1.06 118.70 125.69 1y18 s GLU 38 Ca -0.03 -0.71 0.06 0.00 0.36 0.00 0.00 54.97 54.65 1y18 s GLU 38 Cb -0.14 -3.22 -0.03 0.00 0.26 0.00 0.00 34.13 31.00 1y18 s GLU 38 CO 0.03 -0.31 0.23 0.21 -0.54 0.00 0.00 175.26 174.89 1y18 s LYS 39 N 1.51 3.10 0.39 4.30 2.47 0.07 -1.86 119.74 129.72 1y18 s LYS 39 Ca 0.04 -0.88 -0.24 0.00 -1.56 0.00 0.00 55.97 53.32 1y18 s LYS 39 Cb -0.16 -2.71 -0.12 0.00 -1.46 0.00 0.00 37.83 33.38 1y18 s LYS 39 CO 0.00 0.44 0.85 -2.30 0.16 0.00 0.00 175.35 174.51 1y18 n PRO 40 N -0.95 1.06 -1.77 4.03 -0.02 -1.26 -2.36 135.00 133.73 1y18 n PRO 40 Ca -0.08 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1y18 n PRO 40 Cb 0.56 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 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 0.90 -1.03 -3.71 2.55 8.00 -1.26 -4.19 116.55 117.80 1y18 n ASP 41 Ca 0.10 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.39 1y18 n ASP 41 Cb 0.37 -0.42 0.03 0.00 -0.02 0.00 0.00 41.12 41.09 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 -3.17 -1.94 -3.63 1.24 8.25 -1.19 -4.95 115.22 109.82 1y18 n HIS 42 Ca 0.00 0.85 -0.40 0.00 -0.26 0.00 0.00 57.72 57.91 1y18 n HIS 42 Cb 0.42 -4.38 -0.10 0.00 1.12 0.00 0.00 29.99 27.05 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 5.21 0.00 2.41 1.43 -0.99 -4.99 118.68 115.03 1y18 s LEU 43 Ca 0.05 -1.62 -0.01 0.00 -1.03 0.00 0.00 54.13 51.51 1y18 s LEU 43 Cb -0.02 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 1y18 s LEU 43 CO 0.81 -0.55 0.14 -0.36 0.23 0.00 0.00 176.35 176.62 1y18 s PHE 44 N 1.37 3.43 -0.09 0.29 0.40 -1.26 -0.75 117.98 121.37 1y18 s PHE 44 Ca 0.04 0.28 -0.04 0.00 -0.60 0.00 0.00 56.93 56.60 1y18 s PHE 44 Cb -0.23 -1.78 0.04 0.00 0.51 0.00 0.00 43.02 41.56 1y18 s PHE 44 CO 0.01 0.60 0.20 -0.08 0.70 0.00 0.00 175.22 176.64 1y18 s THR 45 N -1.29 -0.04 0.19 0.64 -1.32 -0.22 -4.95 115.64 108.64 1y18 s THR 45 Ca 0.26 0.16 -0.30 0.00 -1.21 0.00 0.00 61.69 60.60 1y18 s THR 45 Cb -0.12 -0.31 -0.08 0.00 -1.51 0.00 0.00 72.50 70.47 1y18 s THR 45 CO 0.18 0.07 1.25 -0.83 -2.21 0.00 0.00 174.62 173.07 1y18 s GLY 46 N 1.19 2.59 -0.08 6.08 0.00 -1.26 -0.47 107.32 115.37 1y18 s GLY 46 Ca -0.09 1.02 -0.10 0.00 0.00 0.00 0.00 44.72 45.55 1y18 s GLY 46 CO -0.07 1.95 -0.21 1.04 0.00 0.00 0.00 173.10 175.81 1y18 n LEU 47 N 2.52 1.53 -4.31 0.66 4.77 0.39 -4.78 117.00 117.78 1y18 n LEU 47 Ca 0.05 0.24 -0.24 0.00 -0.03 0.00 0.00 56.01 56.03 1y18 n LEU 47 Cb 0.44 -0.56 -0.12 0.00 -2.33 0.00 0.00 43.42 40.85 1y18 n LEU 47 CO 0.57 -0.35 -0.52 -0.63 -1.33 0.00 0.00 177.39 175.13 1y18 s ILE 48 N -2.49 1.80 0.03 -0.08 -1.09 -1.21 -0.18 121.20 117.98 1y18 s ILE 48 Ca -0.18 -1.64 -0.04 0.00 -2.23 0.00 0.00 60.65 56.56 1y18 s ILE 48 Cb 0.03 -1.66 -0.02 0.00 -1.58 0.00 0.00 42.46 39.24 1y18 s ILE 48 CO 0.26 -0.09 0.06 -0.83 -1.23 0.00 0.00 174.94 173.11 1y18 s GLY 49 N -2.06 0.21 -1.42 6.18 0.00 0.75 -1.67 107.32 109.31 1y18 s GLY 49 Ca 0.09 -0.61 -0.09 0.00 0.00 0.00 0.00 44.72 44.10 1y18 s GLY 49 CO 0.05 -0.74 1.07 0.61 0.00 0.00 0.00 173.10 174.09 1y18 n GLY 50 N 0.85 -0.54 5.00 0.20 0.00 -1.17 -1.19 105.19 108.34 1y18 n GLY 50 Ca -0.19 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -4.88 0.00 -0.58 2.61 -1.04 0.10 -3.94 114.28 106.54 1y18 n THR 51 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1y18 n THR 51 Cb 0.56 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.07 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 1.49 0.71 -4.65 8.00 6.94 -1.23 -2.84 115.26 123.68 1y18 n ASN 52 Ca 0.00 -1.29 -0.39 0.00 -0.02 0.00 0.00 54.58 52.88 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 -0.29 4.14 0.39 -3.83 1.02 -0.33 -4.35 119.74 116.49 1y18 s LYS 53 Ca 0.00 0.28 -0.25 0.00 0.02 0.00 0.00 55.97 56.03 1y18 s LYS 53 Cb 0.00 -3.58 -0.09 0.00 -0.52 0.00 0.00 37.83 33.64 1y18 s LYS 53 CO 0.00 -0.16 1.05 0.50 -0.92 0.00 0.00 175.35 175.82 1y18 s ARG 54 N 1.69 4.21 0.36 1.68 3.52 -1.26 -0.18 118.95 128.97 1y18 s ARG 54 Ca 0.21 1.54 -0.17 0.00 -0.13 0.00 0.00 55.73 57.18 1y18 s ARG 54 Cb -0.15 -2.61 -0.10 0.00 -1.56 0.00 0.00 34.95 30.53 1y18 s ARG 54 CO 0.09 -0.11 0.81 0.00 -0.81 0.00 0.00 175.30 175.28 1y18 s ALA 55 N -1.61 3.22 0.23 6.12 0.00 0.75 -4.86 121.76 125.62 1y18 s ALA 55 Ca 0.56 0.16 -0.32 0.00 0.00 0.00 0.00 51.96 52.37 1y18 s ALA 55 Cb -0.23 -2.90 -0.13 0.00 0.00 0.00 0.00 23.12 19.86 1y18 s ALA 55 CO 0.29 0.26 1.53 -0.35 0.00 0.00 0.00 175.76 177.48 1y18 n PRO 56 N -0.48 2.31 -0.14 0.00 -0.04 -1.26 -1.88 135.00 133.50 1y18 n PRO 56 Ca 0.05 0.82 0.00 0.00 -0.04 0.00 0.00 63.50 64.33 1y18 n PRO 56 Cb 0.53 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 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 2.64 0.78 3.66 0.55 0.00 -1.26 -5.05 105.19 106.51 1y18 n GLY 57 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.44 5.16 0.69 1.61 1.01 -0.79 -5.04 120.40 120.59 1y18 s VAL 58 Ca 0.00 0.79 -0.17 0.00 0.00 0.00 0.00 61.98 62.61 1y18 s VAL 58 Cb 0.00 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 1y18 s VAL 58 CO 0.00 0.21 0.90 -0.81 0.00 0.00 0.00 175.10 175.40 1y18 n PRO 59 N 4.71 0.57 0.01 2.72 -0.04 -1.26 -4.84 135.00 136.87 1y18 n PRO 59 Ca -0.07 0.25 0.03 0.00 -0.04 0.00 0.00 63.50 63.67 1y18 n PRO 59 Cb 0.51 -2.15 0.15 0.00 -0.04 0.00 0.00 33.50 31.97 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 -2.29 1.29 0.32 0.55 0.00 -1.26 -2.33 120.51 116.78 1y18 n ALA 60 Ca 0.13 -0.01 0.21 0.00 0.00 0.00 0.00 53.44 53.76 1y18 n ALA 60 Cb 0.49 -1.11 1.04 0.00 0.00 0.00 0.00 19.45 19.87 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 -5.67 0.00 3.08 -1.88 -3.41 114.38 106.51 1y18 h ARG 61 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 1y18 h ARG 61 Cb 0.11 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.08 1y18 h ARG 61 CO 0.00 0.00 -0.33 -0.06 -1.07 0.00 0.00 179.97 178.51 1y18 s PHE 62 N -4.01 3.57 0.01 3.04 0.08 -0.98 -0.89 117.98 118.79 1y18 s PHE 62 Ca -0.03 0.68 -0.14 0.00 0.12 0.00 0.00 56.93 57.56 1y18 s PHE 62 Cb 0.12 -2.22 0.02 0.00 -0.57 0.00 0.00 43.02 40.37 1y18 s PHE 62 CO 0.46 0.48 0.29 -1.54 -0.10 0.00 0.00 175.22 174.81 1y18 s SER 63 N -0.33 -0.14 0.30 1.36 1.04 -0.60 -4.96 113.70 110.37 1y18 s SER 63 Ca 0.18 -0.05 0.11 0.00 0.48 0.00 0.00 55.95 56.67 1y18 s SER 63 Cb -0.14 0.32 -0.05 0.00 0.10 0.00 0.00 66.02 66.25 1y18 s SER 63 CO 0.06 -0.51 -0.14 -0.83 0.98 0.00 0.00 173.24 172.81 1y18 s GLY 64 N -1.62 1.97 0.00 7.32 0.00 -1.26 -0.39 107.32 113.34 1y18 s GLY 64 Ca -0.10 -1.93 0.00 0.00 0.00 0.00 0.00 44.72 42.69 1y18 s GLY 64 CO 0.01 -1.96 0.00 -1.14 0.00 0.00 0.00 173.10 170.01 1y18 n SER 65 N -0.72 0.00 -4.53 1.64 3.41 -0.72 -4.43 113.62 108.27 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 64.45 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 3.51 -0.16 1.04 1.43 -1.26 0.13 118.68 123.37 1y18 s LEU 66 Ca 0.00 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 1y18 s LEU 66 Cb 0.00 -1.89 0.03 0.00 0.03 0.00 0.00 46.19 44.36 1y18 s LEU 66 CO 0.00 0.11 -0.11 -0.63 0.23 0.00 0.00 176.35 175.95 1y18 s ILE 67 N 0.73 1.47 0.00 -0.59 1.01 -0.29 -4.96 121.20 118.57 1y18 s ILE 67 Ca 0.02 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 59.96 1y18 s ILE 67 Cb -0.14 -1.48 0.00 0.00 0.01 0.00 0.00 42.46 40.85 1y18 s ILE 67 CO 0.02 0.32 0.00 0.61 0.00 0.00 0.00 174.94 175.89 1y18 n GLY 68 N 4.78 2.84 1.46 6.18 0.00 -1.26 -1.25 105.19 117.93 1y18 n GLY 68 Ca -0.15 -0.27 0.10 0.00 0.00 0.00 0.00 46.02 45.70 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 4.76 4.28 -4.64 1.61 9.92 -1.26 -4.89 116.55 126.33 1y18 n ASP 69 Ca 0.00 -2.22 -0.25 0.00 -0.53 0.00 0.00 54.79 51.79 1y18 n ASP 69 Cb 0.00 -0.53 -0.09 0.00 -0.64 0.00 0.00 41.12 39.86 1y18 n ASP 69 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1y18 s ARG 70 N -1.44 2.08 0.08 -1.24 0.52 -0.38 -0.44 118.95 118.13 1y18 s ARG 70 Ca 0.49 -1.80 0.01 0.00 -0.52 0.00 0.00 55.73 53.91 1y18 s ARG 70 Cb 0.29 -1.91 -0.04 0.00 0.52 0.00 0.00 34.95 33.81 1y18 s ARG 70 CO 0.29 0.08 0.22 0.00 0.02 0.00 0.00 175.30 175.91 1y18 s ALA 71 N -2.55 3.98 0.02 2.13 0.00 -0.22 -1.14 121.76 123.98 1y18 s ALA 71 Ca 0.36 -0.89 -0.07 0.00 0.00 0.00 0.00 51.96 51.36 1y18 s ALA 71 Cb 0.01 -1.80 -0.00 0.00 0.00 0.00 0.00 23.12 21.33 1y18 s ALA 71 CO 0.20 0.77 0.14 0.00 0.00 0.00 0.00 175.76 176.86 1y18 s ALA 72 N -1.55 -0.25 -0.17 0.00 0.00 0.12 0.17 121.76 120.08 1y18 s ALA 72 Ca 0.35 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.01 1y18 s ALA 72 Cb -0.13 0.20 0.01 0.00 0.00 0.00 0.00 23.12 23.21 1y18 s ALA 72 CO 0.28 -0.29 -0.19 -1.17 0.00 0.00 0.00 175.76 174.40 1y18 s LEU 73 N -1.81 2.24 -0.18 0.00 2.96 -0.15 -1.76 118.68 119.98 1y18 s LEU 73 Ca -0.09 -0.59 -0.02 0.00 -0.22 0.00 0.00 54.13 53.22 1y18 s LEU 73 Cb -0.04 -1.50 -0.01 0.00 0.50 0.00 0.00 46.19 45.15 1y18 s LEU 73 CO -0.02 0.04 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.06 1y18 s THR 74 N 1.06 3.07 -0.30 3.68 2.01 0.47 -0.55 115.64 125.08 1y18 s THR 74 Ca -0.01 -0.62 -0.06 0.00 0.31 0.00 0.00 61.69 61.32 1y18 s THR 74 Cb -0.14 -2.34 0.02 0.00 0.01 0.00 0.00 72.50 70.04 1y18 s THR 74 CO -0.06 0.48 0.06 -0.63 -0.69 0.00 0.00 174.62 173.78 1y18 s ILE 75 N 1.04 3.72 -0.08 1.82 1.01 0.38 -1.55 121.20 127.54 1y18 s ILE 75 Ca -0.00 -0.89 -0.08 0.00 0.00 0.00 0.00 60.65 59.68 1y18 s ILE 75 Cb -0.15 -2.97 -0.04 0.00 0.01 0.00 0.00 42.46 39.31 1y18 s ILE 75 CO -0.02 0.02 0.20 0.42 0.00 0.00 0.00 174.94 175.56 1y18 s THR 76 N 1.44 5.41 -0.96 2.92 -4.23 -0.07 -0.98 115.64 119.17 1y18 s THR 76 Ca 0.01 0.29 -0.02 0.00 -1.18 0.00 0.00 61.69 60.79 1y18 s THR 76 Cb -0.18 -3.48 -0.02 0.00 1.34 0.00 0.00 72.50 70.17 1y18 s THR 76 CO 0.01 0.58 0.81 0.61 -0.54 0.00 0.00 174.62 176.09 1y18 n GLY 77 N 1.82 -0.43 3.63 3.99 0.00 0.02 -4.74 105.19 109.49 1y18 n GLY 77 Ca -0.18 0.15 -0.46 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.38 0.27 -2.58 4.61 0.00 0.39 -4.41 120.51 115.41 1y18 n ALA 78 Ca -0.18 0.43 -0.23 0.00 0.00 0.00 0.00 53.44 53.46 1y18 n ALA 78 Cb 0.63 -2.16 -0.08 0.00 0.00 0.00 0.00 19.45 17.84 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 -0.48 2.06 0.47 0.00 -1.52 -1.26 -0.41 119.66 118.53 1y18 s GLN 79 Ca 0.69 -1.55 0.13 0.00 -1.95 0.00 0.00 55.36 52.68 1y18 s GLN 79 Cb -0.73 -2.01 1.11 0.00 -0.22 0.00 0.00 33.01 31.15 1y18 s GLN 79 CO 0.51 0.35 2.10 1.79 -0.25 0.00 0.00 175.29 179.80 1y18 h THR 80 N 2.03 1.03 0.00 -0.19 1.35 -1.94 0.13 112.91 115.31 1y18 h THR 80 Ca -0.43 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1y18 h THR 80 Cb 1.25 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 1y18 h THR 80 CO 0.60 0.04 0.00 -1.84 -0.25 0.00 0.00 175.52 174.07 1y18 n GLU 81 N -4.51 0.06 0.00 4.72 0.28 -1.26 -2.13 120.64 117.81 1y18 n GLU 81 Ca 0.00 0.46 0.14 0.00 -0.16 0.00 0.00 57.16 57.60 1y18 n GLU 81 Cb 0.10 -1.66 0.57 0.00 1.43 0.00 0.00 31.44 31.87 1y18 n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1y18 n ASP 82 N -1.79 0.46 -4.63 -1.84 8.00 0.45 -4.83 116.55 112.37 1y18 n ASP 82 Ca 0.01 -0.46 -0.43 0.00 0.71 0.00 0.00 54.79 54.63 1y18 n ASP 82 Cb 0.09 -0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.09 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 -2.57 3.71 0.00 -1.24 2.02 -0.90 -4.85 118.70 114.87 1y18 s GLU 83 Ca 0.25 2.02 -0.02 0.00 0.02 0.00 0.00 54.97 57.25 1y18 s GLU 83 Cb 0.20 -4.16 0.01 0.00 0.10 0.00 0.00 34.13 30.27 1y18 s GLU 83 CO 0.50 -1.42 0.07 0.00 0.02 0.00 0.00 175.26 174.44 1y18 n ALA 84 N 9.08 -0.20 -3.19 5.21 0.00 -1.20 -4.93 120.51 125.28 1y18 n ALA 84 Ca 0.22 -0.06 -0.34 0.00 0.00 0.00 0.00 53.44 53.27 1y18 n ALA 84 Cb 0.44 0.02 -0.14 0.00 0.00 0.00 0.00 19.45 19.77 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 -2.32 3.27 -0.22 0.00 1.01 -0.78 -1.30 121.20 120.88 1y18 s ILE 85 Ca 0.02 -0.57 -0.07 0.00 0.00 0.00 0.00 60.65 60.04 1y18 s ILE 85 Cb -0.00 -2.42 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 1y18 s ILE 85 CO 0.00 0.49 0.04 -0.31 0.00 0.00 0.00 174.94 175.17 1y18 s TYR 86 N 0.66 3.11 -0.08 3.97 1.51 0.01 -0.28 117.35 126.26 1y18 s TYR 86 Ca -0.05 -0.30 -0.02 0.00 -1.01 0.00 0.00 57.07 55.69 1y18 s TYR 86 Cb -0.15 -2.14 -0.03 0.00 -0.11 0.00 0.00 41.96 39.52 1y18 s TYR 86 CO 0.02 -0.19 0.02 -0.06 -1.11 0.00 0.00 175.55 174.24 1y18 s PHE 87 N 1.09 3.21 0.18 2.71 0.08 0.82 -0.47 117.98 125.59 1y18 s PHE 87 Ca 0.04 0.22 0.11 0.00 0.12 0.00 0.00 56.93 57.41 1y18 s PHE 87 Cb -0.14 -1.79 -0.04 0.00 -0.57 0.00 0.00 43.02 40.47 1y18 s PHE 87 CO 0.03 0.50 -0.21 0.00 -0.10 0.00 0.00 175.22 175.44 1y18 s ALA 89 N -1.58 -0.22 0.04 0.00 0.00 -0.44 0.88 121.76 120.44 1y18 s ALA 89 Ca 0.21 0.07 0.08 0.00 0.00 0.00 0.00 51.96 52.32 1y18 s ALA 89 Cb -0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 1y18 s ALA 89 CO 0.11 -0.10 -0.23 -0.51 0.00 0.00 0.00 175.76 175.02 1y18 s LEU 90 N -0.51 2.16 -0.29 0.00 1.43 0.56 -1.85 118.68 120.19 1y18 s LEU 90 Ca -0.06 -0.55 -0.17 0.00 -1.03 0.00 0.00 54.13 52.32 1y18 s LEU 90 Cb -0.04 -1.11 -0.02 0.00 0.03 0.00 0.00 46.19 45.05 1y18 s LEU 90 CO 0.00 0.21 0.49 0.86 0.23 0.00 0.00 176.35 178.14 1y18 s TRP 91 N -0.79 3.23 -0.97 0.29 -0.11 0.52 -0.64 118.94 120.46 1y18 s TRP 91 Ca 0.09 0.46 -0.03 0.00 1.22 0.00 0.00 56.10 57.84 1y18 s TRP 91 Cb -0.09 -2.77 0.27 0.00 -1.50 0.00 0.00 33.47 29.38 1y18 s TRP 91 CO 0.02 -0.36 1.13 -1.71 -4.62 0.00 0.00 176.95 171.41 1y18 n ASN 92 N 5.58 5.29 0.00 5.86 5.15 0.42 -4.42 115.26 133.14 1y18 n ASN 92 Ca -0.05 -3.28 0.00 0.00 -0.60 0.00 0.00 54.58 50.65 1y18 n ASN 92 Cb 0.50 -1.14 0.00 0.00 -0.53 0.00 0.00 39.78 38.60 1y18 n ASN 92 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1y18 n SER 93 N 1.74 0.00 -0.23 1.20 7.64 -1.26 -3.31 113.62 119.41 1y18 n SER 93 Ca 0.25 0.00 0.01 0.00 1.01 0.00 0.00 58.87 60.14 1y18 n SER 93 Cb 0.36 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.58 1y18 n SER 93 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1y18 n ASN 94 N 0.64 0.38 -3.47 6.43 6.94 -1.26 -5.09 115.26 119.81 1y18 n ASN 94 Ca 0.00 -1.72 -0.14 0.00 -0.02 0.00 0.00 54.58 52.71 1y18 n ASN 94 Cb 0.00 -0.13 -0.04 0.00 -2.36 0.00 0.00 39.78 37.26 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 -0.34 -0.56 -0.13 -2.53 -3.43 -1.21 -5.16 115.29 101.93 1y18 s HIS 95 Ca 0.03 0.63 -0.06 0.00 -0.80 0.00 0.00 55.06 54.86 1y18 s HIS 95 Cb 0.03 0.50 -0.04 0.00 -1.43 0.00 0.00 32.58 31.63 1y18 s HIS 95 CO 0.00 -0.70 0.09 -1.17 -2.00 0.00 0.00 174.74 170.96 1y18 s LEU 96 N -2.05 4.10 -0.10 5.38 2.96 -1.26 -0.44 118.68 127.26 1y18 s LEU 96 Ca -0.03 0.31 0.02 0.00 -0.22 0.00 0.00 54.13 54.21 1y18 s LEU 96 Cb -0.01 -2.00 0.01 0.00 0.50 0.00 0.00 46.19 44.70 1y18 s LEU 96 CO -0.03 0.34 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.50 1y18 s VAL 97 N -0.65 1.46 0.40 1.68 1.01 0.18 -4.96 120.40 119.53 1y18 s VAL 97 Ca 0.12 -0.63 -0.09 0.00 0.00 0.00 0.00 61.98 61.38 1y18 s VAL 97 Cb -0.12 -1.34 -0.06 0.00 0.00 0.00 0.00 36.38 34.87 1y18 s VAL 97 CO 0.02 0.43 0.74 -0.36 0.00 0.00 0.00 175.10 175.94 1y18 s PHE 98 N 0.91 3.49 0.60 5.22 0.08 -1.26 -0.32 117.98 126.70 1y18 s PHE 98 Ca -0.08 0.96 -0.03 0.00 0.12 0.00 0.00 56.93 57.90 1y18 s PHE 98 Cb -0.15 -2.38 0.12 0.00 -0.57 0.00 0.00 43.02 40.04 1y18 s PHE 98 CO -0.00 -0.10 0.82 0.41 -0.10 0.00 0.00 175.22 176.25 1y18 n GLY 99 N -1.40 0.28 0.01 4.36 0.00 0.25 -4.40 105.19 104.29 1y18 n GLY 99 Ca 0.02 -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 -1.07 -1.39 0.00 -0.02 0.00 -1.26 -4.73 105.19 96.73 1y18 n GLY 100 Ca 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.39 3.10 -0.02 0.00 -1.26 -5.00 105.19 102.03 1y18 n GLY 101 Ca 0.10 -1.45 -0.30 0.00 0.00 0.00 0.00 46.02 44.37 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 -3.37 1.69 -0.32 2.61 2.01 0.38 -4.52 115.64 114.11 1y18 s THR 102 Ca 0.00 -0.76 -0.24 0.00 0.31 0.00 0.00 61.69 61.00 1y18 s THR 102 Cb 0.00 -1.51 0.00 0.00 0.01 0.00 0.00 72.50 71.00 1y18 s THR 102 CO 0.00 0.48 0.80 -0.75 -0.69 0.00 0.00 174.62 174.45 1y18 s LYS 103 N 0.85 3.92 -0.27 4.92 2.20 0.27 -0.81 119.74 130.82 1y18 s LYS 103 Ca -0.09 0.55 -0.12 0.00 -0.36 0.00 0.00 55.97 55.95 1y18 s LYS 103 Cb -0.15 -3.74 -0.05 0.00 -1.51 0.00 0.00 37.83 32.38 1y18 s LYS 103 CO -0.00 -0.72 0.25 -1.17 -0.36 0.00 0.00 175.35 173.35 1y18 s LEU 104 N 3.01 4.03 -0.14 5.43 2.96 -0.42 -1.27 118.68 132.29 1y18 s LEU 104 Ca 0.33 0.10 -0.04 0.00 -0.22 0.00 0.00 54.13 54.29 1y18 s LEU 104 Cb -0.14 -2.22 -0.03 0.00 0.50 0.00 0.00 46.19 44.29 1y18 s LEU 104 CO 0.13 -0.09 0.01 -0.70 -1.32 0.00 0.00 176.35 174.39 1y18 s GLU 105 N 1.84 3.51 -0.27 1.98 2.12 0.53 -3.21 118.70 125.20 1y18 s GLU 105 Ca 0.10 -0.41 -0.09 0.00 0.36 0.00 0.00 54.97 54.93 1y18 s GLU 105 Cb -0.16 -2.97 -0.03 0.00 0.26 0.00 0.00 34.13 31.23 1y18 s GLU 105 CO 0.10 0.44 0.11 0.42 -0.54 0.00 0.00 175.26 175.79 1y18 s ILE 106 N -0.14 4.60 0.34 -3.70 -1.09 -1.26 -1.16 121.20 118.79 1y18 s ILE 106 Ca 0.05 -0.13 -0.28 0.00 -2.23 0.00 0.00 60.65 58.05 1y18 s ILE 106 Cb -0.12 -3.19 -0.10 0.00 -1.58 0.00 0.00 42.46 37.46 1y18 s ILE 106 CO 0.02 0.27 1.28 -0.75 -1.23 0.00 0.00 174.94 174.53 1y18 s LYS 107 N 1.65 4.32 0.17 2.79 2.20 0.13 -4.95 119.74 126.04 1y18 s LYS 107 Ca 0.06 2.16 -0.03 0.00 -0.36 0.00 0.00 55.97 57.80 1y18 s LYS 107 Cb -0.16 -3.03 -0.03 0.00 -1.51 0.00 0.00 37.83 33.10 1y18 s LYS 107 CO 0.06 -0.19 0.14 -0.98 -0.36 0.00 0.00 175.35 174.02 1y18 s ARG 108 N -1.84 1.10 0.54 4.03 1.70 -1.26 -4.35 118.95 118.86 1y18 s ARG 108 Ca 0.50 -1.45 -0.22 0.00 -0.47 0.00 0.00 55.73 54.09 1y18 s ARG 108 Cb -0.38 0.29 -0.05 0.00 -0.57 0.00 0.00 34.95 34.23 1y18 s ARG 108 CO 0.51 -0.35 1.36 0.95 -1.08 0.00 0.00 175.30 176.68 1y18 s THR 109 N -4.07 2.12 0.20 4.99 -4.23 -1.26 -4.89 115.64 108.50 1y18 s THR 109 Ca 0.28 0.09 -0.32 0.00 -1.18 0.00 0.00 61.69 60.56 1y18 s THR 109 Cb 0.06 -3.04 -0.15 0.00 1.34 0.00 0.00 72.50 70.71 1y18 s THR 109 CO 0.05 -0.00 1.30 0.52 -0.54 0.00 0.00 174.62 175.96 1y18 n VAL 110 N -0.95 0.86 -3.70 2.29 0.31 -1.26 -4.82 118.33 111.07 1y18 n VAL 110 Ca 0.10 -0.22 -0.27 0.00 -0.01 0.00 0.00 64.34 63.94 1y18 n VAL 110 Cb 0.45 -1.17 -0.17 0.00 -0.91 0.00 0.00 33.84 32.04 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 -0.07 0.84 0.53 3.52 0.00 0.53 -4.93 121.76 122.18 1y18 s ALA 111 Ca 0.71 -0.59 -0.21 0.00 0.00 0.00 0.00 51.96 51.88 1y18 s ALA 111 Cb -0.75 -1.14 -0.06 0.00 0.00 0.00 0.00 23.12 21.17 1y18 s ALA 111 CO 0.50 -1.18 1.19 0.00 0.00 0.00 0.00 175.76 176.28 1y18 s ALA 112 N 1.94 2.76 0.53 0.00 0.00 -1.26 -0.19 121.76 125.53 1y18 s ALA 112 Ca -0.00 0.98 -0.16 0.00 0.00 0.00 0.00 51.96 52.77 1y18 s ALA 112 Cb -0.17 -3.42 -0.07 0.00 0.00 0.00 0.00 23.12 19.46 1y18 s ALA 112 CO -0.08 -0.92 0.99 -1.25 0.00 0.00 0.00 175.76 174.50 1y18 s PRO 113 N -3.05 3.87 -0.25 0.00 0.04 -1.26 -4.59 135.00 129.76 1y18 s PRO 113 Ca 0.71 0.97 -0.13 0.00 0.04 0.00 0.00 61.00 62.60 1y18 s PRO 113 Cb -0.29 -2.12 -0.05 0.00 0.04 0.00 0.00 34.50 32.08 1y18 s PRO 113 CO 0.34 -0.34 0.26 -1.12 0.04 0.00 0.00 177.00 176.18 1y18 s SER 114 N -3.08 6.19 -0.11 6.66 0.01 -0.82 -4.81 113.70 117.73 1y18 s SER 114 Ca 0.59 0.20 -0.06 0.00 1.31 0.00 0.00 55.95 58.00 1y18 s SER 114 Cb -0.11 -2.16 -0.04 0.00 0.21 0.00 0.00 66.02 63.93 1y18 s SER 114 CO 0.33 -0.04 0.11 -0.69 0.41 0.00 0.00 173.24 173.35 1y18 s VAL 115 N 1.48 5.25 -0.00 3.43 1.01 -1.26 -0.43 120.40 129.88 1y18 s VAL 115 Ca 0.11 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.21 1y18 s VAL 115 Cb -0.15 -3.27 -0.00 0.00 0.00 0.00 0.00 36.38 32.96 1y18 s VAL 115 CO 0.08 0.62 -0.01 -0.36 0.00 0.00 0.00 175.10 175.42 1y18 s PHE 116 N -1.00 0.11 -0.06 5.22 0.40 0.27 -4.97 117.98 117.94 1y18 s PHE 116 Ca 0.15 -0.02 0.05 0.00 -0.60 0.00 0.00 56.93 56.51 1y18 s PHE 116 Cb -0.12 -0.08 -0.01 0.00 0.51 0.00 0.00 43.02 43.33 1y18 s PHE 116 CO 0.04 -0.00 -0.24 -1.50 0.70 0.00 0.00 175.22 174.21 1y18 s ILE 117 N 0.00 1.97 -0.21 0.64 2.07 -1.26 0.77 121.20 125.17 1y18 s ILE 117 Ca 0.00 -1.01 0.01 0.00 -1.41 0.00 0.00 60.65 58.24 1y18 s ILE 117 Cb -0.01 -1.68 0.03 0.00 0.13 0.00 0.00 42.46 40.93 1y18 s ILE 117 CO -0.00 0.55 -0.14 -0.36 -1.91 0.00 0.00 174.94 173.08 1y18 s PHE 118 N -0.04 2.96 0.75 3.50 0.08 0.24 -5.00 117.98 120.47 1y18 s PHE 118 Ca -0.06 -1.73 -0.11 0.00 0.12 0.00 0.00 56.93 55.15 1y18 s PHE 118 Cb -0.14 -1.96 0.04 0.00 -0.57 0.00 0.00 43.02 40.39 1y18 s PHE 118 CO 0.04 -0.79 1.08 -1.25 -0.10 0.00 0.00 175.22 174.20 1y18 s PRO 119 N 1.27 2.44 0.56 0.24 0.04 -1.26 -1.46 135.00 136.82 1y18 s PRO 119 Ca 0.01 0.95 -0.20 0.00 0.04 0.00 0.00 61.00 61.80 1y18 s PRO 119 Cb -0.15 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 1y18 s PRO 119 CO -0.09 -1.45 1.18 -1.25 0.04 0.00 0.00 177.00 175.43 1y18 s PRO 120 N -5.01 3.20 0.58 0.56 0.04 -1.22 -4.83 135.00 128.31 1y18 s PRO 120 Ca 0.60 1.76 -0.14 0.00 0.04 0.00 0.00 61.00 63.25 1y18 s PRO 120 Cb -0.15 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 1y18 s PRO 120 CO 0.55 -1.01 1.02 -1.54 0.04 0.00 0.00 177.00 176.07 1y18 s SER 121 N -1.61 6.17 0.17 6.66 1.04 -1.26 -4.96 113.70 119.91 1y18 s SER 121 Ca 0.74 1.60 -0.11 0.00 0.48 0.00 0.00 55.95 58.66 1y18 s SER 121 Cb -0.28 -2.50 0.08 0.00 0.10 0.00 0.00 66.02 63.41 1y18 s SER 121 CO 0.31 -0.90 1.71 0.44 0.98 0.00 0.00 173.24 175.79 1y18 h ASP 122 N 0.32 0.87 -0.67 7.02 3.32 -2.00 -2.49 116.42 122.79 1y18 h ASP 122 Ca -0.46 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.40 1y18 h ASP 122 Cb 1.20 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.49 1y18 h ASP 122 CO 0.60 0.83 0.43 1.05 -1.72 0.00 0.00 179.24 180.43 1y18 h GLU 123 N 0.86 0.90 -0.21 3.56 9.09 -2.00 -1.43 114.58 125.34 1y18 h GLU 123 Ca 0.20 -0.06 -0.10 0.00 0.05 0.00 0.00 59.36 59.44 1y18 h GLU 123 Cb 0.26 -0.20 -0.01 0.00 -1.65 0.00 0.00 28.75 27.14 1y18 h GLU 123 CO -0.01 0.61 -0.31 0.37 0.05 0.00 0.00 179.01 179.73 1y18 h GLN 124 N 0.92 0.42 -0.30 1.06 4.15 -1.79 -2.92 115.11 116.66 1y18 h GLN 124 Ca 0.25 -0.17 -0.04 0.00 0.77 0.00 0.00 58.65 59.45 1y18 h GLN 124 Cb -0.08 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 1y18 h GLN 124 CO -0.05 0.69 0.02 -0.07 -1.93 0.00 0.00 178.83 177.49 1y18 h LEU 125 N 0.37 0.42 -1.89 -2.39 3.38 -0.84 -2.02 115.31 112.33 1y18 h LEU 125 Ca 0.05 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1y18 h LEU 125 Cb 0.72 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1y18 h LEU 125 CO 0.06 0.47 0.12 0.11 0.09 0.00 0.00 178.44 179.28 1y18 h LYS 126 N 0.44 0.14 0.00 1.13 1.57 -1.27 0.24 116.57 118.82 1y18 h LYS 126 Ca 0.10 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1y18 h LYS 126 Cb 0.26 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1y18 h LYS 126 CO 0.00 0.09 0.00 0.43 -0.57 0.00 0.00 179.45 179.41 1y18 n SER 127 N -4.51 0.00 0.00 0.86 7.64 -0.76 -4.86 113.62 111.99 1y18 n SER 127 Ca 0.00 -0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.73 1y18 n SER 127 Cb 0.15 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 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 0.35 1.23 3.45 0.23 0.00 0.07 -5.04 105.19 105.48 1y18 n GLY 128 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.79 2.47 -0.08 2.61 2.01 -1.24 0.28 115.64 118.89 1y18 s THR 129 Ca 0.00 -2.04 -0.01 0.00 0.31 0.00 0.00 61.69 59.95 1y18 s THR 129 Cb 0.00 -2.20 0.03 0.00 0.01 0.00 0.00 72.50 70.33 1y18 s THR 129 CO 0.00 -0.15 -0.03 0.00 -0.69 0.00 0.00 174.62 173.75 1y18 s ALA 130 N -1.78 0.91 -0.20 7.40 0.00 0.48 -3.54 121.76 125.03 1y18 s ALA 130 Ca 0.22 -0.27 -0.04 0.00 0.00 0.00 0.00 51.96 51.88 1y18 s ALA 130 Cb -0.08 -0.79 -0.02 0.00 0.00 0.00 0.00 23.12 22.24 1y18 s ALA 130 CO 0.11 -0.42 -0.03 -1.12 0.00 0.00 0.00 175.76 174.30 1y18 s SER 131 N 1.83 4.50 -0.22 0.00 0.01 -1.26 -0.91 113.70 117.64 1y18 s SER 131 Ca 0.04 -0.31 -0.07 0.00 1.31 0.00 0.00 55.95 56.92 1y18 s SER 131 Cb -0.12 -1.76 -0.03 0.00 0.21 0.00 0.00 66.02 64.31 1y18 s SER 131 CO -0.06 0.03 0.06 -0.69 0.41 0.00 0.00 173.24 172.99 1y18 s VAL 132 N 1.20 4.45 -0.11 3.43 1.01 0.90 -3.42 120.40 127.86 1y18 s VAL 132 Ca 0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 1y18 s VAL 132 Cb -0.14 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 1y18 s VAL 132 CO -0.00 0.38 -0.04 -0.69 0.00 0.00 0.00 175.10 174.76 1y18 s VAL 133 N 1.14 3.96 -0.13 2.92 1.01 -0.54 -0.19 120.40 128.58 1y18 s VAL 133 Ca 0.04 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.69 1y18 s VAL 133 Cb -0.14 -2.68 0.01 0.00 0.00 0.00 0.00 36.38 33.57 1y18 s VAL 133 CO 0.03 0.56 -0.20 0.00 0.00 0.00 0.00 175.10 175.49 1y18 s LEU 135 N 0.80 2.78 -0.28 0.00 2.96 0.23 -0.46 118.68 124.71 1y18 s LEU 135 Ca -0.08 -0.38 -0.08 0.00 -0.22 0.00 0.00 54.13 53.37 1y18 s LEU 135 Cb -0.16 -1.67 -0.01 0.00 0.50 0.00 0.00 46.19 44.85 1y18 s LEU 135 CO -0.01 0.06 0.09 -0.76 -1.32 0.00 0.00 176.35 174.41 1y18 s LEU 136 N 1.01 3.73 -0.09 -0.68 1.02 0.28 -0.57 118.68 123.38 1y18 s LEU 136 Ca -0.00 -0.47 -0.01 0.00 0.02 0.00 0.00 54.13 53.66 1y18 s LEU 136 Cb -0.15 -1.92 -0.03 0.00 0.02 0.00 0.00 46.19 44.11 1y18 s LEU 136 CO -0.01 -0.13 -0.03 0.21 0.02 0.00 0.00 176.35 176.42 1y18 s ASN 137 N 1.57 4.99 -0.50 2.29 3.04 0.42 -0.74 114.94 126.01 1y18 s ASN 137 Ca 0.05 0.05 -0.20 0.00 0.04 0.00 0.00 52.86 52.80 1y18 s ASN 137 Cb -0.16 -1.43 0.03 0.00 -1.54 0.00 0.00 41.25 38.15 1y18 s ASN 137 CO 0.04 0.34 0.53 0.59 -3.04 0.00 0.00 177.10 175.55 1y18 n ASN 138 N 2.40 -4.27 -4.49 -4.21 4.13 -0.92 -1.95 115.26 105.96 1y18 n ASN 138 Ca -0.18 -0.41 -0.25 0.00 1.68 0.00 0.00 54.58 55.42 1y18 n ASN 138 Cb 0.53 -1.31 -0.10 0.00 -1.54 0.00 0.00 39.78 37.36 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 -1.85 2.10 -0.28 3.10 -0.71 0.09 -4.57 117.98 115.85 1y18 s PHE 139 Ca 0.19 -0.91 -0.24 0.00 -1.04 0.00 0.00 56.93 54.93 1y18 s PHE 139 Cb -0.02 -1.44 0.12 0.00 -1.21 0.00 0.00 43.02 40.47 1y18 s PHE 139 CO 0.73 0.12 1.03 -0.47 -1.34 0.00 0.00 175.22 175.29 1y18 s TYR 140 N -3.08 -0.48 0.95 3.49 6.14 0.73 -0.96 117.35 124.14 1y18 s TYR 140 Ca 0.32 1.16 -0.16 0.00 0.64 0.00 0.00 57.07 59.03 1y18 s TYR 140 Cb 0.08 0.36 0.24 0.00 0.42 0.00 0.00 41.96 43.07 1y18 s TYR 140 CO 0.15 -0.23 0.65 -0.35 0.64 0.00 0.00 175.55 176.41 1y18 n PRO 141 N 2.30 -3.46 0.12 4.97 -0.04 -1.26 -0.35 135.00 137.28 1y18 n PRO 141 Ca -0.13 -1.08 -0.02 0.00 -0.04 0.00 0.00 63.50 62.23 1y18 n PRO 141 Cb 0.56 -1.24 0.08 0.00 -0.04 0.00 0.00 33.50 32.85 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 0.00 -6.07 0.54 2.43 -1.98 -3.44 114.38 105.85 1y18 h ARG 142 Ca -0.28 0.00 -0.60 0.00 -0.81 0.00 0.00 59.98 58.30 1y18 h ARG 142 Cb 0.90 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 1y18 h ARG 142 CO 0.17 0.72 1.41 0.39 -1.51 0.00 0.00 179.97 181.15 1y18 n GLU 143 N -3.58 1.98 -3.73 0.20 4.71 -1.26 -4.93 120.64 114.04 1y18 n GLU 143 Ca -0.00 0.60 -0.12 0.00 -0.01 0.00 0.00 57.16 57.63 1y18 n GLU 143 Cb 0.73 -3.03 -0.12 0.00 -1.01 0.00 0.00 31.44 28.01 1y18 n GLU 143 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1y18 s ALA 144 N 7.18 -0.79 -0.22 0.62 0.00 -1.26 -4.51 121.76 122.77 1y18 s ALA 144 Ca 1.00 1.15 -0.07 0.00 0.00 0.00 0.00 51.96 54.04 1y18 s ALA 144 Cb -0.47 -0.70 -0.03 0.00 0.00 0.00 0.00 23.12 21.92 1y18 s ALA 144 CO 0.40 -0.21 0.05 0.21 0.00 0.00 0.00 175.76 176.21 1y18 s LYS 145 N 1.01 3.71 -0.22 0.00 2.20 -0.41 -4.97 119.74 121.07 1y18 s LYS 145 Ca -0.07 -0.46 -0.03 0.00 -0.36 0.00 0.00 55.97 55.05 1y18 s LYS 145 Cb -0.07 -3.22 0.00 0.00 -1.51 0.00 0.00 37.83 33.03 1y18 s LYS 145 CO -0.08 -0.02 -0.07 0.08 -0.36 0.00 0.00 175.35 174.91 1y18 s VAL 146 N 1.14 3.08 -0.09 4.02 1.01 -1.26 -0.83 120.40 127.46 1y18 s VAL 146 Ca 0.04 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1y18 s VAL 146 Cb -0.14 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 1y18 s VAL 146 CO 0.03 0.40 -0.17 -1.10 0.00 0.00 0.00 175.10 174.26 1y18 s GLN 147 N 1.42 2.94 -0.03 2.72 -0.21 0.73 -4.96 119.66 122.28 1y18 s GLN 147 Ca 0.05 -0.75 -0.09 0.00 0.02 0.00 0.00 55.36 54.59 1y18 s GLN 147 Cb -0.14 -2.44 -0.05 0.00 1.00 0.00 0.00 33.01 31.38 1y18 s GLN 147 CO -0.05 0.36 0.27 -1.58 -2.12 0.00 0.00 175.29 172.17 1y18 s TRP 148 N -0.06 3.62 -0.06 0.91 0.52 -1.26 -0.22 118.94 122.39 1y18 s TRP 148 Ca -0.04 0.66 -0.01 0.00 0.02 0.00 0.00 56.10 56.73 1y18 s TRP 148 Cb -0.14 -2.05 0.03 0.00 -1.15 0.00 0.00 33.47 30.16 1y18 s TRP 148 CO 0.04 0.65 0.02 0.15 0.02 0.00 0.00 176.95 177.84 1y18 s LYS 149 N -1.40 0.34 -0.37 4.98 1.02 -0.66 -0.76 119.74 122.90 1y18 s LYS 149 Ca 0.23 0.20 -0.07 0.00 0.02 0.00 0.00 55.97 56.35 1y18 s LYS 149 Cb -0.14 -0.76 0.06 0.00 -0.52 0.00 0.00 37.83 36.47 1y18 s LYS 149 CO 0.12 -0.30 0.16 0.08 -0.92 0.00 0.00 175.35 174.49 1y18 s VAL 150 N 1.95 3.83 -1.27 3.17 1.01 -0.80 -1.47 120.40 126.83 1y18 s VAL 150 Ca 0.04 -1.32 -0.01 0.00 0.00 0.00 0.00 61.98 60.68 1y18 s VAL 150 Cb -0.12 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 32.99 1y18 s VAL 150 CO -0.04 -0.33 0.87 0.47 0.00 0.00 0.00 175.10 176.07 1y18 n ASP 151 N 4.81 -1.93 -0.75 3.32 8.00 0.88 -1.80 116.55 129.09 1y18 n ASP 151 Ca -0.11 -0.71 -0.10 0.00 0.71 0.00 0.00 54.79 54.58 1y18 n ASP 151 Cb 0.44 -4.60 -0.04 0.00 -0.02 0.00 0.00 41.12 36.90 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 -3.08 -5.13 -4.31 -2.24 4.13 -1.26 -4.96 115.26 98.41 1y18 n ASN 152 Ca -0.27 0.24 -0.41 0.00 1.68 0.00 0.00 54.58 55.82 1y18 n ASN 152 Cb 0.66 -3.48 -0.10 0.00 -1.54 0.00 0.00 39.78 35.32 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 -2.04 3.33 -0.06 5.41 0.00 -0.74 -5.04 121.76 122.61 1y18 s ALA 153 Ca 0.00 -2.07 -0.30 0.00 0.00 0.00 0.00 51.96 49.59 1y18 s ALA 153 Cb 0.00 -2.71 -0.08 0.00 0.00 0.00 0.00 23.12 20.33 1y18 s ALA 153 CO 0.00 -1.62 2.04 -0.11 0.00 0.00 0.00 175.76 176.07 1y18 n LEU 154 N 4.98 3.75 -4.83 0.00 0.00 -1.26 -1.90 117.00 117.74 1y18 n LEU 154 Ca -0.11 0.71 -0.29 0.00 0.00 0.00 0.00 56.01 56.32 1y18 n LEU 154 Cb 0.44 -1.50 0.12 0.00 0.00 0.00 0.00 43.42 42.48 1y18 n LEU 154 CO 0.40 -0.11 0.75 -1.10 0.00 0.00 0.00 177.39 177.33 1y18 s GLN 155 N 4.99 1.37 -0.29 1.96 -1.52 0.06 -4.98 119.66 121.26 1y18 s GLN 155 Ca 0.94 0.19 -0.21 0.00 -1.95 0.00 0.00 55.36 54.33 1y18 s GLN 155 Cb -0.46 -1.87 0.14 0.00 -0.22 0.00 0.00 33.01 30.60 1y18 s GLN 155 CO 0.42 -2.02 1.06 0.45 -0.25 0.00 0.00 175.29 174.95 1y18 s SER 156 N -4.26 -0.42 0.00 5.90 0.15 -1.26 -4.76 113.70 109.06 1y18 s SER 156 Ca 0.64 0.74 0.00 0.00 0.70 0.00 0.00 55.95 58.02 1y18 s SER 156 Cb -0.13 0.95 0.00 0.00 -1.71 0.00 0.00 66.02 65.13 1y18 s SER 156 CO 0.52 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.45 1y18 n GLY 157 N 2.82 0.64 0.76 9.45 0.00 -1.26 -4.87 105.19 112.73 1y18 n GLY 157 Ca -0.15 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.08 1.58 -3.78 1.61 6.94 -1.26 -5.03 115.26 115.24 1y18 n ASN 158 Ca 0.00 -3.51 -0.13 0.00 -0.02 0.00 0.00 54.58 50.92 1y18 n ASN 158 Cb 0.04 -0.48 -0.11 0.00 -2.36 0.00 0.00 39.78 36.87 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 -2.98 -0.26 0.05 0.53 1.04 -1.26 -1.71 113.70 109.11 1y18 s SER 159 Ca 0.37 0.48 0.07 0.00 0.48 0.00 0.00 55.95 57.35 1y18 s SER 159 Cb 0.37 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.98 1y18 s SER 159 CO -0.09 -0.13 -0.20 -1.10 0.98 0.00 0.00 173.24 172.70 1y18 s GLN 160 N -0.03 1.35 0.20 4.02 -0.21 -0.76 -4.93 119.66 119.30 1y18 s GLN 160 Ca -0.02 -0.95 0.08 0.00 0.02 0.00 0.00 55.36 54.50 1y18 s GLN 160 Cb -0.02 -1.47 -0.05 0.00 1.00 0.00 0.00 33.01 32.47 1y18 s GLN 160 CO 0.01 0.37 -0.16 -1.83 -2.12 0.00 0.00 175.29 171.56 1y18 s GLU 161 N -1.23 1.36 0.01 2.91 -1.05 -1.26 -0.21 118.70 119.23 1y18 s GLU 161 Ca 0.07 -1.57 0.02 0.00 -0.15 0.00 0.00 54.97 53.34 1y18 s GLU 161 Cb -0.09 -1.24 -0.01 0.00 -0.44 0.00 0.00 34.13 32.35 1y18 s GLU 161 CO 0.02 0.22 -0.07 0.45 0.95 0.00 0.00 175.26 176.83 1y18 s SER 162 N -3.19 0.78 0.01 0.83 0.15 0.02 -4.97 113.70 107.33 1y18 s SER 162 Ca 0.22 -0.27 0.04 0.00 0.70 0.00 0.00 55.95 56.64 1y18 s SER 162 Cb -0.02 -0.04 -0.01 0.00 -1.71 0.00 0.00 66.02 64.23 1y18 s SER 162 CO 0.08 -0.02 -0.13 0.54 1.20 0.00 0.00 173.24 174.90 1y18 s VAL 163 N -0.58 1.05 0.75 4.45 0.11 -1.26 -0.90 120.40 124.03 1y18 s VAL 163 Ca -0.02 -0.71 -0.08 0.00 -2.93 0.00 0.00 61.98 58.24 1y18 s VAL 163 Cb -0.05 -0.91 0.09 0.00 -1.53 0.00 0.00 36.38 33.98 1y18 s VAL 163 CO 0.00 0.19 1.07 0.42 -3.33 0.00 0.00 175.10 173.45 1y18 s THR 164 N -0.50 2.19 0.54 5.04 -4.23 -0.01 -4.99 115.64 113.68 1y18 s THR 164 Ca 0.04 -0.22 -0.16 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 70.75 1y18 s THR 164 CO 0.00 0.00 1.00 -1.61 -0.54 0.00 0.00 174.62 173.48 1y18 s GLU 165 N -5.37 3.78 -0.07 3.99 0.41 -1.26 -4.57 118.70 115.61 1y18 s GLU 165 Ca 0.63 0.98 -0.35 0.00 -0.41 0.00 0.00 54.97 55.82 1y18 s GLU 165 Cb -0.10 -2.11 -0.13 0.00 -1.78 0.00 0.00 34.13 30.02 1y18 s GLU 165 CO 0.46 -0.42 1.80 0.94 -0.49 0.00 0.00 175.26 177.56 1y18 n GLN 166 N -1.81 2.03 -1.74 1.61 7.27 -1.26 -4.76 117.38 118.72 1y18 n GLN 166 Ca 0.07 0.74 -0.42 0.00 0.07 0.00 0.00 57.00 57.46 1y18 n GLN 166 Cb 0.54 -2.55 -0.02 0.00 2.41 0.00 0.00 30.24 30.61 1y18 n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1y18 s ASP 167 N 3.41 6.36 0.44 1.69 2.15 0.12 -4.85 116.67 125.98 1y18 s ASP 167 Ca 0.91 2.92 0.12 0.00 0.43 0.00 0.00 52.55 56.93 1y18 s ASP 167 Cb -0.74 -2.62 0.96 0.00 -0.30 0.00 0.00 42.92 40.23 1y18 s ASP 167 CO 0.51 -0.96 2.01 -1.28 -0.17 0.00 0.00 175.17 175.28 1y18 h SER 168 N 5.89 0.14 0.00 -0.34 0.87 -1.89 0.16 113.55 118.37 1y18 h SER 168 Ca -0.45 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 1y18 h SER 168 Cb 1.21 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1y18 h SER 168 CO 0.88 0.23 0.00 0.29 -0.53 0.00 0.00 176.83 177.71 1y18 n LYS 169 N -4.37 0.00 -0.00 2.24 5.02 -1.26 -4.40 118.16 115.39 1y18 n LYS 169 Ca -0.01 0.04 0.14 0.00 -2.02 0.00 0.00 58.31 56.46 1y18 n LYS 169 Cb 0.20 -0.66 0.72 0.00 -0.02 0.00 0.00 35.03 35.27 1y18 n LYS 169 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1y18 n ASP 170 N -0.61 0.68 -1.94 4.39 5.68 -1.26 -4.93 116.55 118.57 1y18 n ASP 170 Ca 0.00 -1.27 -0.20 0.00 -0.50 0.00 0.00 54.79 52.82 1y18 n ASP 170 Cb 0.00 -0.01 -0.05 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 -0.45 -5.63 -4.98 -1.12 7.64 0.55 -4.96 113.62 104.68 1y18 n SER 171 Ca 0.21 0.25 -0.20 0.00 1.01 0.00 0.00 58.87 60.13 1y18 n SER 171 Cb 0.22 -4.78 0.02 0.00 -1.01 0.00 0.00 64.21 58.65 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 -2.89 2.42 0.25 0.44 -4.23 -1.25 -4.61 115.64 105.78 1y18 s THR 172 Ca 0.00 -1.14 0.11 0.00 -1.18 0.00 0.00 61.69 59.49 1y18 s THR 172 Cb 0.00 -2.56 -0.05 0.00 1.34 0.00 0.00 72.50 71.23 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 -2.55 2.37 -0.03 3.99 2.02 -0.13 0.12 117.35 123.14 1y18 s TYR 173 Ca 0.53 -0.31 0.01 0.00 -0.37 0.00 0.00 57.07 56.93 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 0.33 0.64 -0.05 -1.12 -1.57 0.00 0.00 175.55 173.78 1y18 s SER 174 N -3.30 0.86 0.13 2.29 0.01 -1.26 -0.73 113.70 111.69 1y18 s SER 174 Ca 0.28 -0.12 0.06 0.00 1.31 0.00 0.00 55.95 57.48 1y18 s SER 174 Cb -0.06 -0.32 -0.04 0.00 0.21 0.00 0.00 66.02 65.81 1y18 s SER 174 CO 0.15 -0.01 -0.15 -0.22 0.41 0.00 0.00 173.24 173.42 1y18 s LEU 175 N 0.54 2.40 -0.01 2.44 0.20 0.08 -0.83 118.68 123.50 1y18 s LEU 175 Ca -0.07 -0.81 0.01 0.00 0.69 0.00 0.00 54.13 53.95 1y18 s LEU 175 Cb -0.11 -0.61 0.00 0.00 -0.43 0.00 0.00 46.19 45.04 1y18 s LEU 175 CO 0.00 -0.12 -0.03 -0.94 -0.29 0.00 0.00 176.35 174.97 1y18 s SER 176 N -2.46 0.47 -0.09 3.68 1.04 -0.07 -0.56 113.70 115.71 1y18 s SER 176 Ca 0.10 -0.07 0.04 0.00 0.48 0.00 0.00 55.95 56.50 1y18 s SER 176 Cb -0.05 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 65.97 1y18 s SER 176 CO 0.04 0.02 -0.21 -0.55 0.98 0.00 0.00 173.24 173.51 1y18 s SER 177 N 0.13 2.77 -0.19 7.02 0.15 0.39 -0.80 113.70 123.17 1y18 s SER 177 Ca -0.01 -0.49 -0.00 0.00 0.70 0.00 0.00 55.95 56.15 1y18 s SER 177 Cb -0.04 -1.23 0.01 0.00 -1.71 0.00 0.00 66.02 63.06 1y18 s SER 177 CO -0.00 0.14 -0.16 -0.89 1.20 0.00 0.00 173.24 173.52 1y18 s THR 178 N 0.38 2.37 -0.21 6.45 2.01 0.71 -0.37 115.64 126.98 1y18 s THR 178 Ca -0.17 -0.84 -0.14 0.00 0.31 0.00 0.00 61.69 60.85 1y18 s THR 178 Cb -0.17 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 1y18 s THR 178 CO 0.07 0.51 0.33 -0.22 -0.69 0.00 0.00 174.62 174.62 1y18 s LEU 179 N 1.30 4.16 -0.16 4.42 2.96 0.73 -1.83 118.68 130.26 1y18 s LEU 179 Ca 0.04 0.41 -0.00 0.00 -0.22 0.00 0.00 54.13 54.36 1y18 s LEU 179 Cb -0.13 -2.39 -0.00 0.00 0.50 0.00 0.00 46.19 44.16 1y18 s LEU 179 CO -0.10 -0.02 -0.13 -0.89 -1.32 0.00 0.00 176.35 173.89 1y18 s THR 180 N 1.14 2.81 0.11 3.68 2.01 -0.69 -0.07 115.64 124.61 1y18 s THR 180 Ca 0.16 -0.72 0.04 0.00 0.31 0.00 0.00 61.69 61.48 1y18 s THR 180 Cb -0.14 -2.20 -0.04 0.00 0.01 0.00 0.00 72.50 70.13 1y18 s THR 180 CO 0.06 0.50 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.64 1y18 s LEU 181 N 0.87 2.43 0.50 4.42 1.43 -0.09 -4.89 118.68 123.35 1y18 s LEU 181 Ca -0.04 -0.85 -0.20 0.00 -1.03 0.00 0.00 54.13 52.01 1y18 s LEU 181 Cb -0.15 -0.32 -0.08 0.00 0.03 0.00 0.00 46.19 45.67 1y18 s LEU 181 CO -0.01 -0.27 1.07 -0.94 0.23 0.00 0.00 176.35 176.43 1y18 s SER 182 N -2.58 6.15 0.38 2.29 1.04 -1.26 -0.39 113.70 119.33 1y18 s SER 182 Ca 0.08 2.02 0.15 0.00 0.48 0.00 0.00 55.95 58.67 1y18 s SER 182 Cb -0.02 -2.57 1.00 0.00 0.10 0.00 0.00 66.02 64.54 1y18 s SER 182 CO 0.00 -0.92 1.80 0.50 0.98 0.00 0.00 173.24 175.60 1y18 h LYS 183 N 1.47 0.48 0.16 4.02 3.64 -0.45 -1.60 116.57 124.29 1y18 h LYS 183 Ca -0.50 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1y18 h LYS 183 Cb 1.23 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 1y18 h LYS 183 CO 0.58 0.32 -0.18 0.00 -2.27 0.00 0.00 179.45 177.90 1y18 h ALA 184 N 1.62 -0.87 -0.84 5.00 0.00 -1.90 -1.87 119.26 120.41 1y18 h ALA 184 Ca 0.55 -0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.53 1y18 h ALA 184 Cb 1.25 0.45 -0.09 0.00 0.00 0.00 0.00 17.79 19.39 1y18 h ALA 184 CO -0.28 -0.88 0.43 -0.44 0.00 0.00 0.00 179.25 178.08 1y18 h ASP 185 N -0.35 0.53 -0.88 0.00 5.19 -1.80 -0.83 116.42 118.29 1y18 h ASP 185 Ca -0.02 0.08 0.12 0.00 -0.62 0.00 0.00 57.03 56.60 1y18 h ASP 185 Cb 0.30 -0.00 -0.08 0.00 0.18 0.00 0.00 39.33 39.73 1y18 h ASP 185 CO -0.03 0.24 0.50 0.22 -3.12 0.00 0.00 179.24 177.05 1y18 h TYR 186 N 0.64 0.90 0.00 4.55 3.20 -1.09 0.12 116.97 125.29 1y18 h TYR 186 Ca 0.45 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.35 1y18 h TYR 186 Cb 0.60 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.60 1y18 h TYR 186 CO -0.09 0.31 0.00 0.39 -1.64 0.00 0.00 178.16 177.13 1y18 n GLU 187 N -4.76 0.05 0.00 1.82 1.02 -0.37 -3.07 120.64 115.33 1y18 n GLU 187 Ca 0.16 0.03 0.15 0.00 -0.02 0.00 0.00 57.16 57.48 1y18 n GLU 187 Cb 0.36 -1.50 0.71 0.00 -0.02 0.00 0.00 31.44 31.00 1y18 n GLU 187 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1y18 n LYS 188 N -1.47 1.19 -4.15 3.49 4.81 0.43 -4.90 118.16 117.54 1y18 n LYS 188 Ca 0.07 -0.42 -0.10 0.00 -0.87 0.00 0.00 58.31 56.99 1y18 n LYS 188 Cb 0.31 -1.49 -0.10 0.00 0.02 0.00 0.00 35.03 33.77 1y18 n LYS 188 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1y18 s HIS 189 N -2.10 0.88 -0.00 5.64 3.76 -1.17 -5.08 115.29 117.21 1y18 s HIS 189 Ca 0.40 -1.22 -0.06 0.00 -0.15 0.00 0.00 55.06 54.04 1y18 s HIS 189 Cb 0.21 -0.50 -0.02 0.00 1.11 0.00 0.00 32.58 33.39 1y18 s HIS 189 CO 0.38 -0.49 -0.11 1.17 -0.85 0.00 0.00 174.74 174.84 1y18 n LYS 190 N -0.10 0.16 -2.81 1.40 3.00 -1.26 -4.69 118.16 113.86 1y18 n LYS 190 Ca -0.06 0.07 -0.42 0.00 -0.00 0.00 0.00 58.31 57.90 1y18 n LYS 190 Cb 0.64 -0.73 -0.03 0.00 0.00 0.00 0.00 35.03 34.90 1y18 n LYS 190 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1y18 s VAL 191 N -2.10 4.82 -0.25 3.15 1.01 -1.26 -0.12 120.40 125.65 1y18 s VAL 191 Ca -0.09 1.77 0.02 0.00 0.00 0.00 0.00 61.98 63.68 1y18 s VAL 191 Cb 0.01 -4.20 0.05 0.00 0.00 0.00 0.00 36.38 32.25 1y18 s VAL 191 CO 0.13 -0.03 -0.11 -0.31 0.00 0.00 0.00 175.10 174.79 1y18 s TYR 192 N 2.38 3.19 0.08 5.22 2.02 -0.29 -0.08 117.35 129.87 1y18 s TYR 192 Ca 0.41 -2.16 0.08 0.00 -0.37 0.00 0.00 57.07 55.03 1y18 s TYR 192 Cb -0.16 -1.95 -0.03 0.00 -0.40 0.00 0.00 41.96 39.41 1y18 s TYR 192 CO 0.12 -0.86 -0.21 0.00 -1.57 0.00 0.00 175.55 173.03 1y18 s ALA 193 N 1.15 1.79 -0.23 3.71 0.00 -0.54 -1.45 121.76 126.19 1y18 s ALA 193 Ca -0.06 -1.17 -0.02 0.00 0.00 0.00 0.00 51.96 50.70 1y18 s ALA 193 Cb -0.19 -0.28 0.02 0.00 0.00 0.00 0.00 23.12 22.67 1y18 s ALA 193 CO -0.06 0.37 -0.08 0.00 0.00 0.00 0.00 175.76 176.00 1y18 s GLU 195 N 1.36 3.72 -0.11 0.00 2.12 0.70 -1.57 118.70 124.92 1y18 s GLU 195 Ca 0.02 -0.46 0.00 0.00 0.36 0.00 0.00 54.97 54.90 1y18 s GLU 195 Cb -0.15 -3.27 -0.02 0.00 0.26 0.00 0.00 34.13 30.95 1y18 s GLU 195 CO -0.06 -0.06 -0.12 0.08 -0.54 0.00 0.00 175.26 174.57 1y18 s VAL 196 N 1.26 3.21 -0.11 3.70 1.01 0.11 -0.19 120.40 129.39 1y18 s VAL 196 Ca 0.05 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.44 1y18 s VAL 196 Cb -0.15 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 33.91 1y18 s VAL 196 CO 0.03 0.54 -0.23 -0.89 0.00 0.00 0.00 175.10 174.56 1y18 s THR 197 N -0.02 2.01 -0.06 3.92 2.01 -0.01 -1.10 115.64 122.39 1y18 s THR 197 Ca -0.03 -0.98 -0.25 0.00 0.31 0.00 0.00 61.69 60.74 1y18 s THR 197 Cb -0.14 -1.75 0.05 0.00 0.01 0.00 0.00 72.50 70.67 1y18 s THR 197 CO 0.04 0.55 0.56 -2.28 -0.69 0.00 0.00 174.62 172.79 1y18 s HIS 198 N 0.48 -0.51 0.45 4.92 2.46 -1.26 -1.29 115.29 120.54 1y18 s HIS 198 Ca -0.16 0.92 0.22 0.00 0.47 0.00 0.00 55.06 56.51 1y18 s HIS 198 Cb -0.17 0.30 1.20 0.00 -0.13 0.00 0.00 32.58 33.78 1y18 s HIS 198 CO 0.06 -0.51 1.84 0.37 -2.47 0.00 0.00 174.74 174.02 1y18 h GLN 199 N 3.49 0.28 0.00 2.88 4.15 -1.93 0.15 115.11 124.13 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 1.15 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.78 1y18 h GLN 199 CO 0.37 0.19 0.00 0.41 -1.93 0.00 0.00 178.83 177.86 1y18 n GLY 200 N -1.56 -0.93 3.21 2.39 0.00 -1.26 -4.70 105.19 102.32 1y18 n GLY 200 Ca 0.21 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 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 2.28 0.29 0.99 1.43 0.52 -4.49 118.68 118.02 1y18 s LEU 201 Ca 0.31 -0.55 -0.03 0.00 -1.03 0.00 0.00 54.13 52.83 1y18 s LEU 201 Cb 0.14 -1.50 0.41 0.00 0.03 0.00 0.00 46.19 45.26 1y18 s LEU 201 CO 0.24 0.07 1.95 0.77 0.23 0.00 0.00 176.35 179.60 1y18 h SER 202 N 7.41 0.97 -4.86 2.29 4.64 -1.84 -3.43 113.55 118.73 1y18 h SER 202 Ca -0.34 -0.04 -0.20 0.00 -0.47 0.00 0.00 61.79 60.74 1y18 h SER 202 Cb 1.18 -0.24 -0.22 0.00 -0.31 0.00 0.00 62.40 62.81 1y18 h SER 202 CO 0.57 0.72 -0.71 -0.44 -0.87 0.00 0.00 176.83 176.11 1y18 s SER 203 N -6.30 0.36 0.30 4.97 0.01 -1.26 -5.13 113.70 106.66 1y18 s SER 203 Ca -0.12 -0.48 -0.29 0.00 1.31 0.00 0.00 55.95 56.37 1y18 s SER 203 Cb 0.18 0.08 -0.13 0.00 0.21 0.00 0.00 66.02 66.36 1y18 s SER 203 CO 0.80 -0.26 1.34 -0.81 0.41 0.00 0.00 173.24 174.72 1y18 n PRO 204 N 1.67 2.11 -3.60 12.44 -0.04 -1.26 -4.95 135.00 141.36 1y18 n PRO 204 Ca -0.23 0.74 -0.37 0.00 -0.04 0.00 0.00 63.50 63.60 1y18 n PRO 204 Cb 0.55 -2.35 -0.06 0.00 -0.04 0.00 0.00 33.50 31.59 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 -0.69 5.23 -0.09 0.52 1.01 -0.26 -4.88 120.40 121.24 1y18 s VAL 205 Ca 0.60 0.61 0.03 0.00 0.00 0.00 0.00 61.98 63.22 1y18 s VAL 205 Cb -0.60 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.17 1y18 s VAL 205 CO 0.57 0.53 -0.18 -0.89 0.00 0.00 0.00 175.10 175.13 1y18 s THR 206 N -0.58 1.64 -0.09 3.92 2.01 -1.26 0.08 115.64 121.36 1y18 s THR 206 Ca 0.20 -0.76 0.03 0.00 0.31 0.00 0.00 61.69 61.47 1y18 s THR 206 Cb -0.14 -1.46 -0.01 0.00 0.01 0.00 0.00 72.50 70.90 1y18 s THR 206 CO 0.08 0.47 -0.21 -0.54 -0.69 0.00 0.00 174.62 173.73 1y18 s LYS 207 N 0.63 2.97 0.34 4.92 -0.14 -0.61 -4.94 119.74 122.90 1y18 s LYS 207 Ca -0.14 -0.82 -0.08 0.00 -1.36 0.00 0.00 55.97 53.57 1y18 s LYS 207 Cb -0.16 -2.36 0.01 0.00 -1.68 0.00 0.00 37.83 33.64 1y18 s LYS 207 CO 0.04 0.27 0.56 -1.54 -0.76 0.00 0.00 175.35 173.92 1y18 s SER 208 N 0.13 0.48 0.06 2.83 1.04 -1.26 -0.26 113.70 116.72 1y18 s SER 208 Ca -0.11 -1.28 -0.26 0.00 0.48 0.00 0.00 55.95 54.79 1y18 s SER 208 Cb -0.16 0.70 0.07 0.00 0.10 0.00 0.00 66.02 66.73 1y18 s SER 208 CO 0.06 -1.37 0.61 0.72 0.98 0.00 0.00 173.24 174.24 1y18 s PHE 209 N -3.06 -0.55 -0.24 5.02 -0.71 -0.53 -4.99 117.98 112.92 1y18 s PHE 209 Ca 0.25 0.64 -0.10 0.00 -1.04 0.00 0.00 56.93 56.68 1y18 s PHE 209 Cb -0.02 0.45 -0.05 0.00 -1.21 0.00 0.00 43.02 42.20 1y18 s PHE 209 CO 0.16 -0.72 0.14 -0.80 -1.34 0.00 0.00 175.22 172.66 1y18 s ASN 210 N -2.02 5.92 -0.01 1.98 0.01 -1.26 -1.14 114.94 118.42 1y18 s ASN 210 Ca -0.05 0.05 -0.38 0.00 -0.71 0.00 0.00 52.86 51.78 1y18 s ASN 210 Cb -0.01 -2.07 -0.17 0.00 0.41 0.00 0.00 41.25 39.42 1y18 s ASN 210 CO -0.02 0.05 1.42 -1.14 -1.51 0.00 0.00 177.10 175.90 1y18 n ARG 211 N 4.37 1.04 0.00 -0.60 0.63 0.83 -1.04 116.66 121.88 1y18 n ARG 211 Ca -0.15 0.38 0.00 0.00 -0.92 0.00 0.00 57.85 57.15 1y18 n ARG 211 Cb 0.52 -2.02 0.00 0.00 0.45 0.00 0.00 32.46 31.41 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 2.85 1.76 3.54 5.14 0.00 -1.26 -4.92 105.19 112.30 1y18 n GLY 212 Ca 0.21 -0.23 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 1y18 n GLY 212 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1y18 n GLU 213 N 0.00 0.24 0.00 1.61 1.02 -0.21 -5.29 120.64 118.01 1y18 n GLU 213 Ca 0.00 -1.27 0.06 0.00 -0.02 0.00 0.00 57.16 55.93 1y18 n GLU 213 Cb 0.00 -3.62 0.05 0.00 -0.02 0.00 0.00 31.44 27.85 1y18 n GLU 213 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31