#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y64 s THR 5 N 0.00 0.02 0.18 2.62 2.01 -1.26 -5.17 115.64 114.04 1y64 s THR 5 Ca 0.00 -0.18 -0.23 0.00 0.31 0.00 0.00 61.69 61.59 1y64 s THR 5 Cb 0.00 -1.01 0.06 0.00 0.01 0.00 0.00 72.50 71.56 1y64 s THR 5 CO 0.00 -0.10 0.68 -0.89 -0.69 0.00 0.00 174.62 173.62 1y64 s THR 6 N -2.87 0.00 -0.29 -0.82 2.01 -1.26 -5.15 115.64 107.26 1y64 s THR 6 Ca -0.03 -0.31 -0.12 0.00 0.31 0.00 0.00 61.69 61.54 1y64 s THR 6 Cb -0.00 -1.33 0.11 0.00 0.01 0.00 0.00 72.50 71.29 1y64 s THR 6 CO -0.05 0.00 0.64 0.00 -0.69 0.00 0.00 174.62 174.52 1y64 s ALA 7 N -3.72 -1.93 0.41 7.40 0.00 -1.26 -4.41 121.76 118.25 1y64 s ALA 7 Ca 0.05 2.31 -0.08 0.00 0.00 0.00 0.00 51.96 54.23 1y64 s ALA 7 Cb -0.02 -1.64 -0.05 0.00 0.00 0.00 0.00 23.12 21.40 1y64 s ALA 7 CO -0.06 -0.75 0.75 -0.51 0.00 0.00 0.00 175.76 175.18 1y64 s LEU 8 N 2.49 3.80 -0.15 0.00 1.43 -0.98 0.19 118.68 125.46 1y64 s LEU 8 Ca -0.07 1.02 -0.01 0.00 -1.03 0.00 0.00 54.13 54.04 1y64 s LEU 8 Cb -0.10 -3.91 0.04 0.00 0.03 0.00 0.00 46.19 42.25 1y64 s LEU 8 CO -0.19 -0.42 -0.02 -0.69 0.23 0.00 0.00 176.35 175.26 1y64 s VAL 9 N -2.44 0.79 -0.28 -1.59 1.01 0.11 -1.29 120.40 116.72 1y64 s VAL 9 Ca 0.49 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 62.04 1y64 s VAL 9 Cb -0.10 -1.06 0.07 0.00 0.00 0.00 0.00 36.38 35.28 1y64 s VAL 9 CO 0.35 0.06 -0.07 0.00 0.00 0.00 0.00 175.10 175.43 1y64 s ASP 11 N 1.09 6.36 -0.05 0.00 2.15 -1.17 -2.93 116.67 122.13 1y64 s ASP 11 Ca -0.06 -1.66 -0.30 0.00 0.43 0.00 0.00 52.55 50.97 1y64 s ASP 11 Cb -0.20 -2.33 -0.03 0.00 -0.30 0.00 0.00 42.92 40.06 1y64 s ASP 11 CO -0.05 -1.09 1.06 0.20 -0.17 0.00 0.00 175.17 175.12 1y64 s ASN 12 N 3.47 7.22 0.25 -0.34 -0.87 -1.26 -3.04 114.94 120.37 1y64 s ASN 12 Ca 0.19 1.69 0.03 0.00 -1.57 0.00 0.00 52.86 53.19 1y64 s ASN 12 Cb -0.17 -2.56 -0.05 0.00 -0.02 0.00 0.00 41.25 38.45 1y64 s ASN 12 CO 0.01 -0.43 0.04 -0.83 -2.57 0.00 0.00 177.10 173.33 1y64 s GLY 13 N 1.15 1.69 0.03 0.66 0.00 -1.26 -4.82 107.32 104.77 1y64 s GLY 13 Ca 0.52 -1.84 -0.16 0.00 0.00 0.00 0.00 44.72 43.24 1y64 s GLY 13 CO 0.23 -1.66 1.24 1.76 0.00 0.00 0.00 173.10 174.67 1y64 h SER 14 N 2.39 -0.57 0.12 1.64 0.02 -1.87 -3.37 113.55 111.91 1y64 h SER 14 Ca -0.39 0.04 -0.21 0.00 -0.84 0.00 0.00 61.79 60.39 1y64 h SER 14 Cb 1.23 0.18 0.01 0.00 0.14 0.00 0.00 62.40 63.96 1y64 h SER 14 CO 0.64 -0.31 -0.98 1.23 -1.14 0.00 0.00 176.83 176.27 1y64 h GLY 15 N -0.49 0.30 -6.92 -3.77 0.00 -1.89 -3.39 103.07 86.92 1y64 h GLY 15 Ca -0.04 -0.76 -0.52 0.00 0.00 0.00 0.00 47.33 46.01 1y64 h GLY 15 CO 0.01 0.67 -0.79 1.08 0.00 0.00 0.00 176.54 177.51 1y64 s LEU 16 N -7.79 1.25 0.89 3.11 1.02 -1.26 -1.62 118.68 114.28 1y64 s LEU 16 Ca -0.16 -0.45 -0.11 0.00 0.02 0.00 0.00 54.13 53.43 1y64 s LEU 16 Cb 0.02 -0.78 0.13 0.00 0.02 0.00 0.00 46.19 45.58 1y64 s LEU 16 CO 0.80 -0.17 1.11 -0.69 0.02 0.00 0.00 176.35 177.42 1y64 s VAL 17 N 1.74 2.53 -0.40 -1.59 1.01 0.22 -4.08 120.40 119.82 1y64 s VAL 17 Ca 0.03 0.17 0.07 0.00 0.00 0.00 0.00 61.98 62.25 1y64 s VAL 17 Cb -0.14 -2.39 0.18 0.00 0.00 0.00 0.00 36.38 34.02 1y64 s VAL 17 CO -0.07 -0.22 0.58 -0.54 0.00 0.00 0.00 175.10 174.84 1y64 s LYS 18 N -4.75 0.78 -0.02 2.72 1.02 -1.17 -2.90 119.74 115.43 1y64 s LYS 18 Ca 0.65 -0.37 -0.14 0.00 0.02 0.00 0.00 55.97 56.13 1y64 s LYS 18 Cb -0.21 -0.06 0.02 0.00 -0.52 0.00 0.00 37.83 37.06 1y64 s LYS 18 CO 0.58 -1.19 0.29 0.00 -0.92 0.00 0.00 175.35 174.11 1y64 s ALA 19 N 1.78 -0.73 0.00 5.17 0.00 -0.61 -3.04 121.76 124.33 1y64 s ALA 19 Ca 0.16 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.43 1y64 s ALA 19 Cb -0.06 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.09 1y64 s ALA 19 CO -0.06 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.86 1y64 n GLY 20 N 1.42 4.52 4.03 0.00 0.00 -0.92 -3.46 105.19 110.78 1y64 n GLY 20 Ca -0.21 -0.50 -0.19 0.00 0.00 0.00 0.00 46.02 45.11 1y64 n GLY 20 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1y64 s PHE 21 N 0.71 1.60 0.00 1.61 0.40 -1.26 0.07 117.98 121.10 1y64 s PHE 21 Ca 0.00 -0.68 0.00 0.00 -0.60 0.00 0.00 56.93 55.65 1y64 s PHE 21 Cb 0.00 -2.24 0.00 0.00 0.51 0.00 0.00 43.02 41.29 1y64 s PHE 21 CO 0.00 -1.06 0.00 0.00 0.70 0.00 0.00 175.22 174.86 1y64 n ALA 22 N -2.19 0.00 0.00 5.36 0.00 0.50 -4.28 120.51 119.89 1y64 n ALA 22 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1y64 n ALA 22 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 1y64 n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y64 n GLY 23 N 1.16 0.00 3.43 0.00 0.00 -1.22 -4.81 105.19 103.75 1y64 n GLY 23 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1y64 n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1y64 s ASP 24 N 0.00 2.22 0.04 1.61 1.11 -1.26 -5.06 116.67 115.33 1y64 s ASP 24 Ca 0.00 -1.56 0.15 0.00 0.18 0.00 0.00 52.55 51.32 1y64 s ASP 24 Cb 0.00 0.33 -0.16 0.00 1.07 0.00 0.00 42.92 44.17 1y64 s ASP 24 CO 0.00 -0.84 0.83 -0.78 1.18 0.00 0.00 175.17 175.55 1y64 h ASP 25 N 2.02 0.00 -2.24 0.27 3.58 -1.93 -3.49 116.42 114.63 1y64 h ASP 25 Ca -0.36 0.00 0.31 0.00 0.42 0.00 0.00 57.03 57.40 1y64 h ASP 25 Cb 1.26 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.25 1y64 h ASP 25 CO 0.58 0.72 0.84 0.00 -2.88 0.00 0.00 179.24 178.49 1y64 n ALA 26 N -2.43 -3.41 -2.07 -0.78 0.00 -1.26 -4.96 120.51 105.60 1y64 n ALA 26 Ca -0.11 -0.86 -0.42 0.00 0.00 0.00 0.00 53.44 52.05 1y64 n ALA 26 Cb 0.90 0.25 -0.03 0.00 0.00 0.00 0.00 19.45 20.57 1y64 n ALA 26 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1y64 s PRO 27 N -2.02 4.26 -0.05 0.00 0.04 -1.26 -4.77 135.00 131.20 1y64 s PRO 27 Ca 0.29 2.17 0.01 0.00 0.04 0.00 0.00 61.00 63.51 1y64 s PRO 27 Cb -0.01 -3.41 0.08 0.00 0.04 0.00 0.00 34.50 31.20 1y64 s PRO 27 CO 0.01 -0.59 1.01 -2.13 0.04 0.00 0.00 177.00 175.34 1y64 n ARG 28 N 4.75 1.21 -3.65 4.56 0.63 -1.26 -4.72 116.66 118.18 1y64 n ARG 28 Ca 0.14 -0.34 -0.02 0.00 -0.92 0.00 0.00 57.85 56.70 1y64 n ARG 28 Cb 0.41 -1.23 -0.06 0.00 0.45 0.00 0.00 32.46 32.03 1y64 n ARG 28 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1y64 s ALA 29 N -0.55 -2.21 -0.27 5.13 0.00 -1.22 -4.89 121.76 117.74 1y64 s ALA 29 Ca 0.06 1.74 -0.24 0.00 0.00 0.00 0.00 51.96 53.52 1y64 s ALA 29 Cb 0.05 -1.74 0.09 0.00 0.00 0.00 0.00 23.12 21.52 1y64 s ALA 29 CO 0.01 -0.13 0.81 0.08 0.00 0.00 0.00 175.76 176.53 1y64 s VAL 30 N -0.31 0.00 0.33 0.00 1.01 -1.26 -1.57 120.40 118.60 1y64 s VAL 30 Ca 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 61.98 61.90 1y64 s VAL 30 Cb -0.04 -1.00 0.06 0.00 0.00 0.00 0.00 36.38 35.41 1y64 s VAL 30 CO -0.14 0.00 0.85 2.22 0.00 0.00 0.00 175.10 178.03 1y64 n PHE 31 N 2.70 -2.09 -3.71 5.22 -1.74 -1.14 -5.02 117.46 111.68 1y64 n PHE 31 Ca -0.14 -1.68 -0.33 0.00 -0.56 0.00 0.00 57.45 54.74 1y64 n PHE 31 Cb 0.56 0.84 -0.05 0.00 1.52 0.00 0.00 39.48 42.34 1y64 n PHE 31 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 1y64 s PRO 32 N -2.08 3.61 -0.77 3.97 0.04 -1.26 0.71 135.00 139.22 1y64 s PRO 32 Ca 0.18 -0.08 -0.25 0.00 0.04 0.00 0.00 61.00 60.88 1y64 s PRO 32 Cb -0.04 -2.97 -0.04 0.00 0.04 0.00 0.00 34.50 31.48 1y64 s PRO 32 CO 0.10 0.56 1.96 -1.12 0.04 0.00 0.00 177.00 178.54 1y64 s SER 33 N -2.08 5.08 -0.19 6.66 0.01 -0.64 -4.32 113.70 118.24 1y64 s SER 33 Ca 0.34 -0.18 -0.15 0.00 1.31 0.00 0.00 55.95 57.27 1y64 s SER 33 Cb -0.13 -2.55 0.05 0.00 0.21 0.00 0.00 66.02 63.61 1y64 s SER 33 CO 0.21 -2.68 0.48 -0.63 0.41 0.00 0.00 173.24 171.03 1y64 s ILE 34 N 10.08 -0.00 -0.02 1.44 1.01 -1.26 -4.53 121.20 127.92 1y64 s ILE 34 Ca 0.71 0.02 0.03 0.00 0.00 0.00 0.00 60.65 61.42 1y64 s ILE 34 Cb -0.10 -0.68 -0.00 0.00 0.01 0.00 0.00 42.46 41.69 1y64 s ILE 34 CO 0.09 0.01 -0.12 -0.69 0.00 0.00 0.00 174.94 174.23 1y64 s VAL 35 N 0.54 0.97 -0.30 2.92 1.01 -0.06 -2.03 120.40 123.46 1y64 s VAL 35 Ca -0.02 -0.49 -0.09 0.00 0.00 0.00 0.00 61.98 61.38 1y64 s VAL 35 Cb -0.04 -0.84 -0.00 0.00 0.00 0.00 0.00 36.38 35.50 1y64 s VAL 35 CO -0.03 0.29 0.13 -0.83 0.00 0.00 0.00 175.10 174.66 1y64 s GLY 36 N -0.02 1.84 -0.01 4.51 0.00 -0.29 -1.32 107.32 112.02 1y64 s GLY 36 Ca -0.00 -1.41 0.02 0.00 0.00 0.00 0.00 44.72 43.33 1y64 s GLY 36 CO 0.00 0.68 -0.06 0.50 0.00 0.00 0.00 173.10 174.22 1y64 s ARG 37 N 1.58 0.56 0.76 2.90 0.52 -1.16 -0.49 118.95 123.61 1y64 s ARG 37 Ca 0.04 -0.18 -0.15 0.00 -0.52 0.00 0.00 55.73 54.92 1y64 s ARG 37 Cb -0.17 -0.56 0.06 0.00 0.52 0.00 0.00 34.95 34.80 1y64 s ARG 37 CO 0.05 0.08 1.22 -2.14 0.02 0.00 0.00 175.30 174.53 1y64 s PRO 38 N 0.12 1.93 0.00 3.54 0.02 -1.26 0.16 135.00 139.51 1y64 s PRO 38 Ca -0.01 1.81 0.00 0.00 0.02 0.00 0.00 61.00 62.82 1y64 s PRO 38 Cb -0.05 -1.80 0.00 0.00 0.02 0.00 0.00 34.50 32.66 1y64 s PRO 38 CO -0.00 -2.01 0.00 0.54 -0.33 0.00 0.00 177.00 175.20 1y64 n ARG 39 N -2.91 0.00 -4.67 5.54 1.74 -0.67 -4.65 116.66 111.04 1y64 n ARG 39 Ca 0.14 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.94 1y64 n ARG 39 Cb 0.50 -0.88 -0.17 0.00 -1.02 0.00 0.00 32.46 30.89 1y64 n ARG 39 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1y64 s SER 52 N -0.82 2.28 -0.29 0.55 1.04 -1.26 -5.11 113.70 110.09 1y64 s SER 52 Ca 0.00 -0.40 -0.03 0.00 0.48 0.00 0.00 55.95 56.00 1y64 s SER 52 Cb 0.00 -1.04 0.10 0.00 0.10 0.00 0.00 66.02 65.18 1y64 s SER 52 CO 0.00 0.05 0.12 -0.31 0.98 0.00 0.00 173.24 174.08 1y64 s TYR 53 N 0.72 0.76 0.50 5.02 4.12 0.36 -4.97 117.35 123.86 1y64 s TYR 53 Ca -0.13 -1.12 0.06 0.00 0.02 0.00 0.00 57.07 55.90 1y64 s TYR 53 Cb -0.16 -1.15 0.04 0.00 -1.52 0.00 0.00 41.96 39.17 1y64 s TYR 53 CO 0.03 -0.83 0.69 0.08 0.02 0.00 0.00 175.55 175.54 1y64 s VAL 54 N 1.95 2.71 0.00 0.71 1.01 -1.26 -1.14 120.40 124.37 1y64 s VAL 54 Ca 0.09 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1y64 s VAL 54 Cb -0.16 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.38 1y64 s VAL 54 CO -0.32 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.39 1y64 n GLY 55 N -2.12 1.24 0.13 4.51 0.00 -0.86 -4.14 105.19 103.96 1y64 n GLY 55 Ca 0.10 -0.58 -0.21 0.00 0.00 0.00 0.00 46.02 45.32 1y64 n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1y64 n ASP 56 N 7.89 2.06 -3.28 1.61 8.00 -1.26 -4.19 116.55 127.38 1y64 n ASP 56 Ca 0.00 0.22 -0.31 0.00 0.71 0.00 0.00 54.79 55.41 1y64 n ASP 56 Cb 0.00 -0.84 -0.02 0.00 -0.02 0.00 0.00 41.12 40.24 1y64 n ASP 56 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1y64 n GLU 57 N -3.66 2.78 0.00 -1.24 0.28 -1.26 -2.94 120.64 114.61 1y64 n GLU 57 Ca -0.34 -1.84 0.00 0.00 -0.16 0.00 0.00 57.16 54.82 1y64 n GLU 57 Cb 0.97 -2.66 0.00 0.00 1.43 0.00 0.00 31.44 31.18 1y64 n GLU 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1y64 n ALA 58 N 4.18 0.21 -0.14 -1.84 0.00 -1.26 -4.63 120.51 117.04 1y64 n ALA 58 Ca 0.60 -0.10 -0.28 0.00 0.00 0.00 0.00 53.44 53.66 1y64 n ALA 58 Cb 0.20 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.55 1y64 n ALA 58 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1y64 n GLN 59 N 0.00 0.58 -0.95 0.00 3.00 -1.15 -4.33 117.38 114.53 1y64 n GLN 59 Ca 0.00 0.26 -0.22 0.00 -0.01 0.00 0.00 57.00 57.03 1y64 n GLN 59 Cb 0.30 -1.48 -0.08 0.00 0.00 0.00 0.00 30.24 28.98 1y64 n GLN 59 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1y64 n SER 60 N -4.27 5.85 0.00 1.08 7.64 -1.26 -1.25 113.62 121.41 1y64 n SER 60 Ca -0.51 -2.39 0.00 0.00 1.01 0.00 0.00 58.87 56.98 1y64 n SER 60 Cb 0.86 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 1y64 n SER 60 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1y64 n LYS 61 N 3.27 0.00 -2.92 1.43 4.81 -1.26 -4.98 118.16 118.50 1y64 n LYS 61 Ca 0.51 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.64 1y64 n LYS 61 Cb 0.45 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.46 1y64 n LYS 61 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1y64 s ARG 62 N 0.00 3.83 0.00 1.64 3.00 -0.38 -3.81 118.95 123.23 1y64 s ARG 62 Ca 0.00 0.52 0.00 0.00 -1.00 0.00 0.00 55.73 55.25 1y64 s ARG 62 Cb 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 34.95 32.55 1y64 s ARG 62 CO 0.00 0.01 0.00 0.41 0.00 0.00 0.00 175.30 175.72 1y64 n GLY 63 N -1.08 2.26 0.24 8.12 0.00 -1.26 -4.72 105.19 108.75 1y64 n GLY 63 Ca 0.03 -0.63 -0.09 0.00 0.00 0.00 0.00 46.02 45.32 1y64 n GLY 63 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1y64 h ILE 64 N 0.00 0.00 -3.27 -0.61 3.07 -1.96 -3.42 117.51 111.32 1y64 h ILE 64 Ca 0.00 -0.14 -0.57 0.00 1.55 0.00 0.00 64.86 65.70 1y64 h ILE 64 Cb 0.00 0.00 -0.06 0.00 -0.27 0.00 0.00 36.82 36.49 1y64 h ILE 64 CO 0.00 0.00 0.47 -0.76 -1.05 0.00 0.00 178.15 176.81 1y64 s LEU 65 N -7.23 4.20 0.49 0.16 1.43 -1.25 -1.67 118.68 114.81 1y64 s LEU 65 Ca -0.09 1.32 -0.20 0.00 -1.03 0.00 0.00 54.13 54.14 1y64 s LEU 65 Cb 0.01 -3.37 -0.09 0.00 0.03 0.00 0.00 46.19 42.78 1y64 s LEU 65 CO 0.26 -0.42 1.01 -0.89 0.23 0.00 0.00 176.35 176.54 1y64 s THR 66 N 2.12 4.03 -0.15 5.49 2.01 0.42 -4.66 115.64 124.90 1y64 s THR 66 Ca 0.42 1.20 -0.05 0.00 0.31 0.00 0.00 61.69 63.57 1y64 s THR 66 Cb -0.17 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 1y64 s THR 66 CO 0.14 -0.34 0.03 -0.76 -0.69 0.00 0.00 174.62 173.01 1y64 s LEU 67 N -3.57 3.68 0.27 4.42 1.43 -1.26 -2.98 118.68 120.67 1y64 s LEU 67 Ca 0.65 0.08 0.09 0.00 -1.03 0.00 0.00 54.13 53.92 1y64 s LEU 67 Cb -0.14 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 1y64 s LEU 67 CO 0.21 0.24 0.07 -0.54 0.23 0.00 0.00 176.35 176.56 1y64 s LYS 68 N -0.06 2.50 -0.54 1.70 -0.14 -0.43 -4.92 119.74 117.84 1y64 s LYS 68 Ca 0.05 -1.31 0.06 0.00 -1.36 0.00 0.00 55.97 53.40 1y64 s LYS 68 Cb -0.12 -2.29 0.21 0.00 -1.68 0.00 0.00 37.83 33.95 1y64 s LYS 68 CO 0.02 0.36 0.53 0.66 -0.76 0.00 0.00 175.35 176.15 1y64 n TYR 69 N -1.00 1.49 -0.07 3.18 4.02 -1.26 -0.88 117.16 122.64 1y64 n TYR 69 Ca -0.07 -3.85 0.16 0.00 -0.01 0.00 0.00 57.90 54.13 1y64 n TYR 69 Cb 0.59 -0.33 0.24 0.00 -0.02 0.00 0.00 39.34 39.82 1y64 n TYR 69 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1y64 n PRO 70 N 1.74 0.01 -4.98 -0.72 -0.02 -1.26 -4.08 135.00 125.69 1y64 n PRO 70 Ca 0.25 0.72 -0.32 0.00 -2.02 0.00 0.00 63.50 62.13 1y64 n PRO 70 Cb 0.44 -1.82 -0.16 0.00 -0.02 0.00 0.00 33.50 31.94 1y64 n PRO 70 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1y64 s ILE 71 N -3.63 2.49 -0.41 4.25 1.01 -1.26 -0.27 121.20 123.38 1y64 s ILE 71 Ca -0.01 -0.86 0.05 0.00 0.00 0.00 0.00 60.65 59.83 1y64 s ILE 71 Cb 0.08 -2.00 0.44 0.00 0.01 0.00 0.00 42.46 40.99 1y64 s ILE 71 CO 0.27 0.54 1.28 -0.62 0.00 0.00 0.00 174.94 176.41 1y64 n GLU 72 N 3.57 3.42 0.00 2.79 1.02 -1.26 -4.63 120.64 125.56 1y64 n GLU 72 Ca -0.19 -4.18 0.00 0.00 -0.02 0.00 0.00 57.16 52.78 1y64 n GLU 72 Cb 0.53 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.68 1y64 n GLU 72 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1y64 n GLY 74 N -0.64 0.00 3.73 0.62 0.00 -1.26 -4.59 105.19 103.05 1y64 n GLY 74 Ca 0.44 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.09 1y64 n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y64 s ILE 75 N 0.00 5.17 0.29 -0.61 1.09 -1.26 -4.38 121.20 121.50 1y64 s ILE 75 Ca 0.00 0.97 -0.30 0.00 -1.10 0.00 0.00 60.65 60.22 1y64 s ILE 75 Cb 0.00 -3.82 -0.10 0.00 -1.06 0.00 0.00 42.46 37.47 1y64 s ILE 75 CO 0.00 0.33 1.46 -0.63 -0.10 0.00 0.00 174.94 176.00 1y64 s ILE 76 N 0.55 2.47 0.00 2.92 1.01 -1.26 -4.58 121.20 122.31 1y64 s ILE 76 Ca 0.26 0.42 0.00 0.00 0.00 0.00 0.00 60.65 61.33 1y64 s ILE 76 Cb -0.15 -3.27 0.00 0.00 0.01 0.00 0.00 42.46 39.05 1y64 s ILE 76 CO 0.11 0.08 0.00 0.35 0.00 0.00 0.00 174.94 175.47 1y64 n THR 77 N 1.81 0.00 -3.79 2.92 -2.24 0.63 -4.90 114.28 108.71 1y64 n THR 77 Ca 0.05 -0.21 -0.28 0.00 -2.27 0.00 0.00 64.05 61.35 1y64 n THR 77 Cb 0.40 0.73 -0.16 0.00 -2.10 0.00 0.00 70.33 69.19 1y64 n THR 77 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1y64 s ASN 78 N -1.02 2.91 0.22 3.42 3.84 -1.17 -5.01 114.94 118.13 1y64 s ASN 78 Ca 0.00 -0.79 0.21 0.00 0.21 0.00 0.00 52.86 52.49 1y64 s ASN 78 Cb 0.00 -0.70 0.04 0.00 -0.55 0.00 0.00 41.25 40.04 1y64 s ASN 78 CO 0.00 -0.27 1.13 -0.50 -2.79 0.00 0.00 177.10 174.67 1y64 h TRP 79 N 8.20 0.00 0.73 0.43 4.06 -1.93 -1.53 115.95 125.90 1y64 h TRP 79 Ca -0.18 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.74 1y64 h TRP 79 Cb 1.11 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 29.28 1y64 h TRP 79 CO 0.35 0.16 -0.35 -0.44 -3.56 0.00 0.00 178.44 174.60 1y64 h ASP 80 N 0.00 -0.83 0.43 -3.49 3.32 -2.00 -2.07 116.42 111.79 1y64 h ASP 80 Ca -0.03 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 1y64 h ASP 80 Cb 1.15 0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.92 1y64 h ASP 80 CO 0.01 -0.56 -0.21 0.44 -1.72 0.00 0.00 179.24 177.21 1y64 h ASP 81 N -1.02 -0.49 -0.96 6.45 3.32 -2.00 -2.95 116.42 118.77 1y64 h ASP 81 Ca -0.10 -0.07 0.22 0.00 0.02 0.00 0.00 57.03 57.10 1y64 h ASP 81 Cb 0.76 0.13 -0.18 0.00 0.22 0.00 0.00 39.33 40.25 1y64 h ASP 81 CO 0.16 -0.21 -0.12 -0.03 -1.72 0.00 0.00 179.24 177.32 1y64 h MET 82 N -0.77 0.01 -0.95 3.56 4.05 -1.30 2.52 114.93 122.05 1y64 h MET 82 Ca -0.06 -0.00 0.13 0.00 -0.28 0.00 0.00 59.70 59.49 1y64 h MET 82 Cb 0.53 -0.00 -0.08 0.00 -0.80 0.00 0.00 31.60 31.25 1y64 h MET 82 CO 0.10 0.01 0.61 1.49 0.23 0.00 0.00 176.91 179.34 1y64 h GLU 83 N 0.01 0.84 0.21 0.39 4.81 -1.27 -1.66 114.58 117.91 1y64 h GLU 83 Ca 0.51 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.70 1y64 h GLU 83 Cb 0.91 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.08 1y64 h GLU 83 CO -0.95 0.55 -0.27 0.87 -0.73 0.00 0.00 179.01 178.49 1y64 h LYS 84 N 0.86 -0.52 0.07 1.92 1.79 0.45 0.02 116.57 121.16 1y64 h LYS 84 Ca 0.48 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.98 1y64 h LYS 84 Cb 0.60 0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.35 1y64 h LYS 84 CO -0.24 -0.34 -0.14 0.82 -1.08 0.00 0.00 179.45 178.47 1y64 h ILE 85 N -0.54 0.00 -1.07 1.86 2.04 -0.68 0.36 117.51 119.48 1y64 h ILE 85 Ca 0.01 0.00 0.36 0.00 1.00 0.00 0.00 64.86 66.23 1y64 h ILE 85 Cb 0.52 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.45 1y64 h ILE 85 CO -0.10 0.00 0.63 -0.50 0.00 0.00 0.00 178.15 178.18 1y64 h TRP 86 N -0.22 0.81 0.03 1.37 6.55 -1.32 0.52 115.95 123.69 1y64 h TRP 86 Ca -0.01 0.03 -0.00 0.00 0.95 0.00 0.00 58.89 59.87 1y64 h TRP 86 Cb 0.21 -0.21 0.00 0.00 -0.86 0.00 0.00 29.16 28.30 1y64 h TRP 86 CO -0.25 -0.24 -0.02 1.25 -1.05 0.00 0.00 178.44 178.14 1y64 h HIS 87 N 0.21 -0.04 0.00 0.49 2.76 0.65 -2.97 115.15 116.24 1y64 h HIS 87 Ca 0.77 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.94 1y64 h HIS 87 Cb 1.98 0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.96 1y64 h HIS 87 CO -0.01 -0.02 0.00 1.58 -1.30 0.00 0.00 177.93 178.18 1y64 n HIS 88 N -2.12 0.00 -0.05 5.26 -0.00 0.14 -0.99 115.22 117.46 1y64 n HIS 88 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.71 1y64 n HIS 88 Cb 0.02 -0.24 -0.00 0.00 -0.00 0.00 0.00 29.99 29.77 1y64 n HIS 88 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 1y64 n THR 89 N -2.17 -0.08 0.00 3.57 -1.04 0.96 -0.73 114.28 114.79 1y64 n THR 89 Ca 0.00 0.32 0.00 0.00 -2.04 0.00 0.00 64.05 62.33 1y64 n THR 89 Cb 0.00 -0.40 0.00 0.00 -1.82 0.00 0.00 70.33 68.11 1y64 n THR 89 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1y64 n PHE 90 N -4.18 0.00 -0.44 -1.42 3.72 -0.16 -2.90 117.46 112.09 1y64 n PHE 90 Ca 0.01 0.00 0.34 0.00 -0.05 0.00 0.00 57.45 57.74 1y64 n PHE 90 Cb 0.04 0.00 0.52 0.00 -0.94 0.00 0.00 39.48 39.10 1y64 n PHE 90 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1y64 n TYR 91 N 0.00 0.00 0.00 1.38 4.01 -1.11 -0.76 117.16 120.68 1y64 n TYR 91 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1y64 n TYR 91 Cb 0.00 -0.31 0.00 0.00 -0.31 0.00 0.00 39.34 38.72 1y64 n TYR 91 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1y64 n ASN 92 N -3.19 0.00 -0.95 7.72 5.03 0.09 -3.66 115.26 120.30 1y64 n ASN 92 Ca 0.28 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.73 1y64 n ASN 92 Cb 1.30 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 40.06 1y64 n ASN 92 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1y64 n GLU 93 N -0.18 0.56 0.00 3.52 -0.58 -1.18 -2.59 120.64 120.19 1y64 n GLU 93 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1y64 n GLU 93 Cb 0.00 -1.23 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 1y64 n GLU 93 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1y64 n LEU 94 N 0.67 0.00 0.00 -4.62 4.77 -0.51 -4.60 117.00 112.71 1y64 n LEU 94 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1y64 n LEU 94 Cb 0.26 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1y64 n LEU 94 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.39 176.60 1y64 n ARG 95 N -0.89 -0.65 -3.32 3.23 1.74 0.06 -4.94 116.66 111.88 1y64 n ARG 95 Ca 0.00 0.16 -0.32 0.00 -0.77 0.00 0.00 57.85 56.92 1y64 n ARG 95 Cb 0.00 -4.28 -0.05 0.00 -1.02 0.00 0.00 32.46 27.10 1y64 n ARG 95 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1y64 s VAL 96 N -1.46 4.86 -0.45 1.55 1.01 -1.26 -4.81 120.40 119.84 1y64 s VAL 96 Ca 0.00 0.58 0.03 0.00 0.00 0.00 0.00 61.98 62.59 1y64 s VAL 96 Cb 0.00 -3.62 0.12 0.00 0.00 0.00 0.00 36.38 32.88 1y64 s VAL 96 CO 0.00 -0.13 0.19 0.00 0.00 0.00 0.00 175.10 175.16 1y64 s ALA 97 N -1.89 3.16 0.00 5.51 0.00 -1.26 -2.76 121.76 124.52 1y64 s ALA 97 Ca 0.49 -2.92 0.00 0.00 0.00 0.00 0.00 51.96 49.53 1y64 s ALA 97 Cb -0.11 -2.16 0.00 0.00 0.00 0.00 0.00 23.12 20.85 1y64 s ALA 97 CO 0.21 -1.88 0.00 -2.30 0.00 0.00 0.00 175.76 171.79 1y64 n PRO 98 N 3.73 0.00 0.00 0.00 -0.02 -1.26 -3.99 135.00 133.46 1y64 n PRO 98 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 1y64 n PRO 98 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.85 1y64 n PRO 98 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1y64 n GLU 99 N 0.00 0.00 0.00 -0.52 4.71 -1.11 -1.92 120.64 121.80 1y64 n GLU 99 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1y64 n GLU 99 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 1y64 n GLU 99 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1y64 n GLU 100 N 0.00 0.31 -3.70 3.49 1.02 -1.26 -4.03 120.64 116.47 1y64 n GLU 100 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1y64 n GLU 100 Cb 0.00 -1.09 -0.13 0.00 -0.02 0.00 0.00 31.44 30.20 1y64 n GLU 100 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1y64 s HIS 101 N -1.42 -0.39 0.21 -0.32 3.76 -0.81 -4.86 115.29 111.46 1y64 s HIS 101 Ca 0.00 0.90 -0.30 0.00 -0.15 0.00 0.00 55.06 55.51 1y64 s HIS 101 Cb 0.00 0.04 -0.08 0.00 1.11 0.00 0.00 32.58 33.64 1y64 s HIS 101 CO 0.00 -0.29 0.96 -2.14 -0.85 0.00 0.00 174.74 172.42 1y64 s PRO 102 N 1.69 4.81 -0.05 8.40 0.02 -1.26 -4.28 135.00 144.32 1y64 s PRO 102 Ca -0.06 1.51 0.05 0.00 0.02 0.00 0.00 61.00 62.52 1y64 s PRO 102 Cb -0.11 -3.30 -0.01 0.00 0.02 0.00 0.00 34.50 31.11 1y64 s PRO 102 CO -0.09 0.43 -0.22 0.99 -0.33 0.00 0.00 177.00 177.77 1y64 s THR 103 N -0.91 1.85 -0.35 0.99 2.01 -0.26 -2.32 115.64 116.65 1y64 s THR 103 Ca 0.43 -0.95 -0.13 0.00 0.31 0.00 0.00 61.69 61.35 1y64 s THR 103 Cb -0.26 -1.57 -0.01 0.00 0.01 0.00 0.00 72.50 70.67 1y64 s THR 103 CO 0.32 0.52 0.24 -0.22 -0.69 0.00 0.00 174.62 174.79 1y64 s LEU 104 N -0.09 4.61 0.25 4.42 2.96 -0.41 -2.58 118.68 127.85 1y64 s LEU 104 Ca -0.04 -0.54 0.07 0.00 -0.22 0.00 0.00 54.13 53.39 1y64 s LEU 104 Cb -0.13 -2.13 -0.04 0.00 0.50 0.00 0.00 46.19 44.40 1y64 s LEU 104 CO 0.03 -0.28 0.22 -0.76 -1.32 0.00 0.00 176.35 174.24 1y64 s LEU 105 N 1.70 3.88 0.36 -0.68 1.43 -0.69 0.26 118.68 124.93 1y64 s LEU 105 Ca 0.06 -0.21 0.09 0.00 -1.03 0.00 0.00 54.13 53.03 1y64 s LEU 105 Cb -0.18 -2.41 -0.06 0.00 0.03 0.00 0.00 46.19 43.57 1y64 s LEU 105 CO 0.10 -0.04 -0.03 0.42 0.23 0.00 0.00 176.35 177.02 1y64 s THR 106 N -2.12 2.33 -0.06 5.49 -4.23 -1.15 -1.03 115.64 114.87 1y64 s THR 106 Ca 0.33 -2.08 -0.27 0.00 -1.18 0.00 0.00 61.69 58.49 1y64 s THR 106 Cb -0.08 -2.76 0.06 0.00 1.34 0.00 0.00 72.50 71.06 1y64 s THR 106 CO 0.25 -0.16 0.61 -1.83 -0.54 0.00 0.00 174.62 172.95 1y64 s GLU 107 N -3.67 0.96 0.76 3.99 -1.05 -0.34 -4.60 118.70 114.74 1y64 s GLU 107 Ca 0.34 0.24 -0.12 0.00 -0.15 0.00 0.00 54.97 55.28 1y64 s GLU 107 Cb 0.03 0.45 0.06 0.00 -0.44 0.00 0.00 34.13 34.22 1y64 s GLU 107 CO 0.18 -0.28 1.13 0.00 0.95 0.00 0.00 175.26 177.24 1y64 s ALA 108 N -1.06 2.12 0.40 -0.84 0.00 -1.26 -0.82 121.76 120.30 1y64 s ALA 108 Ca -0.10 0.53 -0.27 0.00 0.00 0.00 0.00 51.96 52.12 1y64 s ALA 108 Cb -0.01 -3.36 -0.10 0.00 0.00 0.00 0.00 23.12 19.65 1y64 s ALA 108 CO 0.08 -1.87 1.45 -2.14 0.00 0.00 0.00 175.76 173.28 1y64 s PRO 109 N -4.44 3.97 -0.94 0.00 0.02 -1.26 -1.49 135.00 130.87 1y64 s PRO 109 Ca 0.66 2.48 0.00 0.00 0.02 0.00 0.00 61.00 64.16 1y64 s PRO 109 Cb -0.22 -2.86 0.00 0.00 0.02 0.00 0.00 34.50 31.45 1y64 s PRO 109 CO 0.50 -0.61 0.00 1.28 -0.33 0.00 0.00 177.00 177.85 1y64 n LEU 110 N 0.24 -1.05 -4.65 -5.54 4.77 -1.26 -4.94 117.00 104.57 1y64 n LEU 110 Ca 0.02 0.13 -0.42 0.00 -0.03 0.00 0.00 56.01 55.71 1y64 n LEU 110 Cb 0.40 -1.62 -0.03 0.00 -2.33 0.00 0.00 43.42 39.85 1y64 n LEU 110 CO 0.61 -0.32 1.42 0.21 -1.33 0.00 0.00 177.39 177.99 1y64 s ASN 111 N -2.74 6.52 -0.03 -1.43 2.47 -0.55 -4.88 114.94 114.29 1y64 s ASN 111 Ca 0.00 2.14 -0.37 0.00 0.42 0.00 0.00 52.86 55.06 1y64 s ASN 111 Cb 0.00 -2.53 -0.15 0.00 -1.45 0.00 0.00 41.25 37.12 1y64 s ASN 111 CO 0.00 -1.07 1.61 -2.65 -3.72 0.00 0.00 177.10 171.27 1y64 n PRO 112 N 7.38 1.56 -0.32 0.43 -0.02 -1.26 -4.79 135.00 137.98 1y64 n PRO 112 Ca 0.19 0.57 0.21 0.00 -2.02 0.00 0.00 63.50 62.44 1y64 n PRO 112 Cb 0.43 -2.29 0.39 0.00 -0.02 0.00 0.00 33.50 32.02 1y64 n PRO 112 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1y64 n LYS 113 N 4.30 -0.07 -0.36 -0.52 5.02 -1.26 -1.14 118.16 124.13 1y64 n LYS 113 Ca 0.21 1.37 -0.06 0.00 -2.02 0.00 0.00 58.31 57.81 1y64 n LYS 113 Cb 0.21 -2.30 -0.04 0.00 -0.02 0.00 0.00 35.03 32.89 1y64 n LYS 113 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1y64 n ALA 114 N -2.82 -0.39 0.08 7.82 0.00 -1.26 -0.97 120.51 122.97 1y64 n ALA 114 Ca 0.28 0.81 -0.04 0.00 0.00 0.00 0.00 53.44 54.49 1y64 n ALA 114 Cb 0.93 -0.23 0.17 0.00 0.00 0.00 0.00 19.45 20.32 1y64 n ALA 114 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1y64 h ASN 115 N 0.00 0.29 -0.06 0.00 2.35 -1.49 -1.67 115.58 115.00 1y64 h ASN 115 Ca 0.21 -0.14 0.02 0.00 -0.55 0.00 0.00 56.30 55.84 1y64 h ASN 115 Cb 0.43 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.72 1y64 h ASN 115 CO -0.86 0.73 0.05 -0.09 -1.65 0.00 0.00 177.43 175.61 1y64 h ARG 116 N 0.22 0.00 0.09 0.81 2.43 -1.02 1.58 114.38 118.49 1y64 h ARG 116 Ca 0.01 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1y64 h ARG 116 Cb 0.94 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 1y64 h ARG 116 CO 0.08 0.00 -0.04 0.93 -1.51 0.00 0.00 179.97 179.42 1y64 h GLU 117 N 0.00 -0.12 -0.34 0.20 5.08 -1.03 -2.02 114.58 116.36 1y64 h GLU 117 Ca 0.03 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.50 1y64 h GLU 117 Cb 0.12 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1y64 h GLU 117 CO -0.00 0.22 0.25 -0.22 -1.00 0.00 0.00 179.01 178.27 1y64 h LYS 118 N -0.98 0.00 0.00 2.33 3.64 -0.88 0.36 116.57 121.04 1y64 h LYS 118 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1y64 h LYS 118 Cb 0.40 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1y64 h LYS 118 CO 0.02 0.00 0.00 -0.12 -2.27 0.00 0.00 179.45 177.08 1y64 n MET 119 N -4.34 0.00 -0.25 1.90 1.56 0.54 -3.01 117.12 113.51 1y64 n MET 119 Ca 0.05 0.25 -0.12 0.00 -0.27 0.00 0.00 57.70 57.61 1y64 n MET 119 Cb 0.43 -1.06 -0.09 0.00 2.15 0.00 0.00 33.22 34.64 1y64 n MET 119 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1y64 h THR 120 N 0.00 0.01 -0.62 1.12 1.03 -1.00 -1.60 112.91 111.85 1y64 h THR 120 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 66.41 66.46 1y64 h THR 120 Cb 0.00 0.01 -0.08 0.00 -1.07 0.00 0.00 68.15 67.01 1y64 h THR 120 CO 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 175.52 175.16 1y64 n GLN 121 N -5.34 -0.26 -0.32 0.00 6.02 0.12 0.14 117.38 117.75 1y64 n GLN 121 Ca -0.01 0.93 0.11 0.00 -0.01 0.00 0.00 57.00 58.02 1y64 n GLN 121 Cb 0.32 -1.37 0.24 0.00 1.02 0.00 0.00 30.24 30.44 1y64 n GLN 121 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1y64 h ILE 122 N 0.00 0.10 0.00 5.09 1.08 -1.20 0.67 117.51 123.25 1y64 h ILE 122 Ca 0.11 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.57 1y64 h ILE 122 Cb 0.26 0.06 0.00 0.00 -3.07 0.00 0.00 36.82 34.08 1y64 h ILE 122 CO -0.58 0.01 0.00 0.23 -0.69 0.00 0.00 178.15 177.11 1y64 n MET 123 N -5.47 0.00 -0.20 2.37 2.81 0.38 -1.07 117.12 115.94 1y64 n MET 123 Ca 0.20 0.00 0.08 0.00 -1.81 0.00 0.00 57.70 56.17 1y64 n MET 123 Cb 0.65 -0.47 0.16 0.00 -0.71 0.00 0.00 33.22 32.85 1y64 n MET 123 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1y64 n PHE 124 N -0.04 0.36 0.04 2.03 3.72 -1.09 0.61 117.46 123.09 1y64 n PHE 124 Ca 0.00 0.68 -0.12 0.00 -0.05 0.00 0.00 57.45 57.96 1y64 n PHE 124 Cb 0.00 -0.92 -0.08 0.00 -0.94 0.00 0.00 39.48 37.53 1y64 n PHE 124 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1y64 h GLU 125 N 0.00 -0.17 0.00 -1.08 4.39 -0.99 -3.38 114.58 113.35 1y64 h GLU 125 Ca 0.34 0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.95 1y64 h GLU 125 Cb 0.70 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.37 1y64 h GLU 125 CO -0.53 0.29 -0.58 1.15 -1.16 0.00 0.00 179.01 178.18 1y64 h THR 126 N -0.77 0.76 -3.20 1.13 2.02 0.80 -3.43 112.91 110.22 1y64 h THR 126 Ca -0.02 -2.11 -0.43 0.00 0.77 0.00 0.00 66.41 64.63 1y64 h THR 126 Cb 0.54 2.34 -0.40 0.00 -1.74 0.00 0.00 68.15 68.90 1y64 h THR 126 CO 0.03 0.44 -0.75 -0.36 0.37 0.00 0.00 175.52 175.25 1y64 s PHE 127 N -2.98 0.28 0.00 3.16 0.08 0.20 -5.01 117.98 113.71 1y64 s PHE 127 Ca 0.03 -0.11 0.00 0.00 0.12 0.00 0.00 56.93 56.98 1y64 s PHE 127 Cb 0.08 -0.65 0.00 0.00 -0.57 0.00 0.00 43.02 41.88 1y64 s PHE 127 CO 0.75 -0.36 0.53 0.09 -0.10 0.00 0.00 175.22 176.13 1y64 n ASN 128 N 5.25 0.00 -4.65 1.36 5.03 -1.26 -3.60 115.26 117.39 1y64 n ASN 128 Ca -0.06 -1.34 -0.42 0.00 0.87 0.00 0.00 54.58 53.63 1y64 n ASN 128 Cb 0.49 -0.16 -0.03 0.00 -1.02 0.00 0.00 39.78 39.07 1y64 n ASN 128 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 1y64 s VAL 129 N 2.99 3.59 0.23 2.41 -7.23 -1.26 -2.76 120.40 118.37 1y64 s VAL 129 Ca 0.00 0.70 -0.08 0.00 -1.81 0.00 0.00 61.98 60.79 1y64 s VAL 129 Cb 0.00 -3.51 0.20 0.00 0.56 0.00 0.00 36.38 33.63 1y64 s VAL 129 CO 0.00 -0.12 1.90 1.55 -0.31 0.00 0.00 175.10 178.12 1y64 h PRO 130 N 10.08 1.13 -3.21 4.82 0.13 -1.75 -3.38 132.00 139.82 1y64 h PRO 130 Ca -0.38 -0.07 -0.03 0.00 -0.87 0.00 0.00 66.00 64.65 1y64 h PRO 130 Cb 1.17 -0.26 -0.12 0.00 0.13 0.00 0.00 31.00 31.93 1y64 h PRO 130 CO 0.97 0.75 0.06 0.00 -0.23 0.00 0.00 178.00 179.55 1y64 s ALA 131 N -6.13 -1.21 -0.24 -0.56 0.00 -1.26 0.00 121.76 112.36 1y64 s ALA 131 Ca -0.13 0.15 -0.28 0.00 0.00 0.00 0.00 51.96 51.70 1y64 s ALA 131 Cb 0.16 0.80 0.16 0.00 0.00 0.00 0.00 23.12 24.24 1y64 s ALA 131 CO 0.80 -0.72 1.19 0.00 0.00 0.00 0.00 175.76 177.03 1y64 s MET 132 N -3.79 0.32 0.06 0.00 0.23 -1.16 -1.11 119.30 113.86 1y64 s MET 132 Ca 0.03 0.15 0.05 0.00 -1.03 0.00 0.00 55.69 54.89 1y64 s MET 132 Cb 0.00 0.15 -0.03 0.00 -1.53 0.00 0.00 34.83 33.43 1y64 s MET 132 CO -0.11 -0.08 -0.13 -0.47 -2.03 0.00 0.00 175.02 172.19 1y64 s TYR 133 N -0.72 1.13 -0.29 3.16 6.04 -1.06 -3.31 117.35 122.29 1y64 s TYR 133 Ca 0.04 -0.44 -0.02 0.00 0.04 0.00 0.00 57.07 56.69 1y64 s TYR 133 Cb -0.02 -0.65 0.04 0.00 -1.04 0.00 0.00 41.96 40.30 1y64 s TYR 133 CO -0.05 0.03 -0.00 0.08 -1.54 0.00 0.00 175.55 174.07 1y64 s VAL 134 N -1.19 3.04 0.05 3.14 1.01 -1.26 -1.71 120.40 123.48 1y64 s VAL 134 Ca -0.02 -1.29 -0.11 0.00 0.00 0.00 0.00 61.98 60.56 1y64 s VAL 134 Cb -0.09 -2.71 -0.06 0.00 0.00 0.00 0.00 36.38 33.52 1y64 s VAL 134 CO 0.02 -0.06 0.39 0.00 0.00 0.00 0.00 175.10 175.45 1y64 s ALA 135 N 1.28 3.73 0.28 5.51 0.00 -0.20 -4.92 121.76 127.44 1y64 s ALA 135 Ca -0.04 -0.36 -0.29 0.00 0.00 0.00 0.00 51.96 51.27 1y64 s ALA 135 Cb -0.19 -2.28 -0.10 0.00 0.00 0.00 0.00 23.12 20.55 1y64 s ALA 135 CO -0.01 0.55 1.21 0.42 0.00 0.00 0.00 175.76 177.92 1y64 s ILE 136 N -1.31 3.19 0.07 0.00 1.09 -1.26 -1.20 121.20 121.78 1y64 s ILE 136 Ca 0.30 1.15 -0.27 0.00 -1.10 0.00 0.00 60.65 60.73 1y64 s ILE 136 Cb -0.14 -3.73 -0.17 0.00 -1.06 0.00 0.00 42.46 37.35 1y64 s ILE 136 CO 0.16 0.25 1.63 1.56 -0.10 0.00 0.00 174.94 178.45 1y64 h GLN 137 N 3.98 -0.40 0.00 2.79 4.20 -1.27 -3.13 115.11 121.28 1y64 h GLN 137 Ca -0.47 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.27 1y64 h GLN 137 Cb 1.22 0.09 0.00 0.00 0.30 0.00 0.00 27.48 29.09 1y64 h GLN 137 CO 0.68 -0.24 0.00 0.00 -0.67 0.00 0.00 178.83 178.61 1y64 n ALA 138 N -2.30 0.00 0.00 3.87 0.00 -1.26 -3.07 120.51 117.76 1y64 n ALA 138 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1y64 n ALA 138 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.65 1y64 n ALA 138 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1y64 n VAL 139 N 0.00 0.00 -0.30 0.00 0.31 -1.26 -0.98 118.33 116.09 1y64 n VAL 139 Ca 0.00 0.00 0.22 0.00 -0.01 0.00 0.00 64.34 64.55 1y64 n VAL 139 Cb 0.00 0.00 0.52 0.00 -0.91 0.00 0.00 33.84 33.45 1y64 n VAL 139 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1y64 h LEU 140 N 0.00 0.41 0.00 7.52 3.38 -1.61 -0.58 115.31 124.43 1y64 h LEU 140 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1y64 h LEU 140 Cb 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1y64 h LEU 140 CO 0.00 0.10 0.00 -1.20 0.09 0.00 0.00 178.44 177.43 1y64 n SER 141 N -4.57 0.00 0.16 -0.43 7.64 -0.16 -2.25 113.62 114.02 1y64 n SER 141 Ca 0.24 0.97 0.07 0.00 1.01 0.00 0.00 58.87 61.15 1y64 n SER 141 Cb 0.85 -0.47 0.35 0.00 -1.01 0.00 0.00 64.21 63.93 1y64 n SER 141 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1y64 n LEU 142 N -2.02 0.33 -0.10 -3.43 0.00 -0.55 -1.76 117.00 109.47 1y64 n LEU 142 Ca 0.00 0.55 -0.13 0.00 0.00 0.00 0.00 56.01 56.44 1y64 n LEU 142 Cb 0.00 -0.50 -0.04 0.00 0.00 0.00 0.00 43.42 42.88 1y64 n LEU 142 CO 0.00 -0.67 0.61 1.88 0.00 0.00 0.00 177.39 179.21 1y64 h TYR 143 N 0.00 0.85 -2.87 1.96 -1.99 -0.69 -3.28 116.97 110.94 1y64 h TYR 143 Ca 0.00 -0.23 -0.75 0.00 2.00 0.00 0.00 58.73 59.75 1y64 h TYR 143 Cb 0.59 -0.19 -0.22 0.00 2.00 0.00 0.00 36.73 38.92 1y64 h TYR 143 CO 0.00 0.97 0.77 0.00 -0.00 0.00 0.00 178.16 179.90 1y64 s ALA 144 N -4.48 4.02 0.00 3.88 0.00 -0.72 -1.88 121.76 122.58 1y64 s ALA 144 Ca -0.12 -3.31 0.00 0.00 0.00 0.00 0.00 51.96 48.53 1y64 s ALA 144 Cb 0.09 -3.86 0.00 0.00 0.00 0.00 0.00 23.12 19.35 1y64 s ALA 144 CO 0.83 -2.61 0.00 -1.13 0.00 0.00 0.00 175.76 172.85 1y64 n SER 145 N 4.90 0.00 0.00 0.00 3.41 -1.24 -4.92 113.62 115.77 1y64 n SER 145 Ca 0.26 -0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 1y64 n SER 145 Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 1y64 n SER 145 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1y64 n GLY 146 N 0.00 1.33 3.25 5.00 0.00 -0.79 -4.95 105.19 109.03 1y64 n GLY 146 Ca 0.00 -0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1y64 n GLY 146 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1y64 n ARG 147 N 0.00 -2.67 -2.85 1.61 1.85 -1.26 -4.92 116.66 108.42 1y64 n ARG 147 Ca 0.00 -0.77 -0.11 0.00 -1.00 0.00 0.00 57.85 55.96 1y64 n ARG 147 Cb 0.00 -1.80 0.06 0.00 -1.05 0.00 0.00 32.46 29.67 1y64 n ARG 147 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1y64 n THR 148 N -4.87 -0.05 0.00 8.89 -2.24 -1.26 -4.27 114.28 110.48 1y64 n THR 148 Ca 0.05 -2.33 0.00 0.00 -2.27 0.00 0.00 64.05 59.49 1y64 n THR 148 Cb 0.54 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 1y64 n THR 148 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1y64 n THR 149 N 0.36 0.00 0.00 4.28 -1.04 -1.26 0.13 114.28 116.75 1y64 n THR 149 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1y64 n THR 149 Cb 0.69 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.20 1y64 n THR 149 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1y64 n GLY 150 N -0.61 0.28 3.62 3.41 0.00 -0.50 -4.83 105.19 106.56 1y64 n GLY 150 Ca 0.00 -1.47 -0.57 0.00 0.00 0.00 0.00 46.02 43.98 1y64 n GLY 150 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1y64 n ILE 151 N 0.84 0.08 -4.16 -0.61 3.06 -1.25 -3.84 119.36 113.47 1y64 n ILE 151 Ca 0.00 -0.01 -0.22 0.00 -2.50 0.00 0.00 62.75 60.01 1y64 n ILE 151 Cb 0.00 -0.68 -0.05 0.00 0.54 0.00 0.00 39.64 39.44 1y64 n ILE 151 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 1y64 s VAL 152 N 1.48 4.08 -0.48 9.51 1.01 -0.71 -2.41 120.40 132.88 1y64 s VAL 152 Ca 0.92 -1.57 0.03 0.00 0.00 0.00 0.00 61.98 61.36 1y64 s VAL 152 Cb -1.13 -3.21 0.16 0.00 0.00 0.00 0.00 36.38 32.19 1y64 s VAL 152 CO 0.59 -0.35 0.34 -0.22 0.00 0.00 0.00 175.10 175.45 1y64 s LEU 153 N -3.79 2.45 0.41 3.92 2.96 -1.02 -1.89 118.68 121.72 1y64 s LEU 153 Ca 0.33 -3.05 -0.23 0.00 -0.22 0.00 0.00 54.13 50.96 1y64 s LEU 153 Cb -0.07 -0.85 -0.10 0.00 0.50 0.00 0.00 46.19 45.67 1y64 s LEU 153 CO 0.23 -0.19 0.99 -0.62 -1.32 0.00 0.00 176.35 175.45 1y64 s ASP 154 N -0.11 6.87 -0.27 3.68 -1.08 -1.10 0.12 116.67 124.78 1y64 s ASP 154 Ca 0.26 1.86 0.07 0.00 -0.52 0.00 0.00 52.55 54.21 1y64 s ASP 154 Cb -0.08 -2.56 0.24 0.00 -1.46 0.00 0.00 42.92 39.06 1y64 s ASP 154 CO -0.12 -0.41 1.16 -0.24 0.52 0.00 0.00 175.17 176.08 1y64 n SER 155 N -0.30 -1.14 0.00 -0.34 2.88 -0.55 -2.37 113.62 111.80 1y64 n SER 155 Ca 0.06 -1.86 0.00 0.00 -1.33 0.00 0.00 58.87 55.73 1y64 n SER 155 Cb 0.52 0.65 0.00 0.00 -0.75 0.00 0.00 64.21 64.63 1y64 n SER 155 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1y64 n GLY 156 N -0.78 -2.93 0.00 0.46 0.00 -1.22 -2.59 105.19 98.14 1y64 n GLY 156 Ca -0.12 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1y64 n GLY 156 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1y64 n ASP 157 N 0.00 0.00 -0.10 1.61 -0.08 -1.26 -1.80 116.55 114.92 1y64 n ASP 157 Ca 0.00 0.42 -0.09 0.00 -1.51 0.00 0.00 54.79 53.62 1y64 n ASP 157 Cb 0.00 -0.30 -0.01 0.00 2.34 0.00 0.00 41.12 43.14 1y64 n ASP 157 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1y64 h GLY 158 N 0.00 0.49 -3.01 0.27 0.00 -1.92 4.59 103.07 103.49 1y64 h GLY 158 Ca 0.00 -0.20 -0.22 0.00 0.00 0.00 0.00 47.33 46.91 1y64 h GLY 158 CO 0.00 0.20 -0.69 0.54 0.00 0.00 0.00 176.54 176.59 1y64 s VAL 159 N -6.00 0.62 -0.18 4.60 0.11 -1.26 -4.46 120.40 113.83 1y64 s VAL 159 Ca -0.13 -1.93 -0.02 0.00 -2.93 0.00 0.00 61.98 56.97 1y64 s VAL 159 Cb 0.10 -1.72 0.05 0.00 -1.53 0.00 0.00 36.38 33.28 1y64 s VAL 159 CO 0.72 -0.83 0.01 -0.89 -3.33 0.00 0.00 175.10 170.78 1y64 s THR 160 N -3.68 0.66 0.12 5.04 2.01 -1.04 -3.67 115.64 115.08 1y64 s THR 160 Ca 0.13 -0.53 0.06 0.00 0.31 0.00 0.00 61.69 61.66 1y64 s THR 160 Cb 0.06 -1.06 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 1y64 s THR 160 CO -0.04 -0.10 0.01 -1.00 -0.69 0.00 0.00 174.62 172.80 1y64 s HIS 161 N 1.81 2.95 -0.30 4.92 3.76 -1.00 -1.51 115.29 125.92 1y64 s HIS 161 Ca -0.00 -0.06 -0.00 0.00 -0.15 0.00 0.00 55.06 54.84 1y64 s HIS 161 Cb -0.16 -1.48 0.06 0.00 1.11 0.00 0.00 32.58 32.11 1y64 s HIS 161 CO -0.07 0.49 -0.00 1.21 -0.85 0.00 0.00 174.74 175.52 1y64 s ASN 162 N -2.58 4.81 -0.34 1.40 3.84 0.34 -2.70 114.94 119.71 1y64 s ASN 162 Ca 0.27 -1.44 -0.00 0.00 0.21 0.00 0.00 52.86 51.89 1y64 s ASN 162 Cb -0.11 -1.68 0.08 0.00 -0.55 0.00 0.00 41.25 39.00 1y64 s ASN 162 CO 0.19 -0.28 0.06 -0.69 -2.79 0.00 0.00 177.10 173.59 1y64 s VAL 163 N 1.18 2.84 0.13 -5.21 1.01 -0.79 0.10 120.40 119.66 1y64 s VAL 163 Ca -0.04 -1.83 -0.31 0.00 0.00 0.00 0.00 61.98 59.80 1y64 s VAL 163 Cb -0.20 -2.84 -0.09 0.00 0.00 0.00 0.00 36.38 33.25 1y64 s VAL 163 CO -0.03 -0.39 1.56 -2.84 0.00 0.00 0.00 175.10 173.40 1y64 s PRO 164 N 1.12 4.23 0.42 2.72 0.02 -1.26 -1.74 135.00 140.51 1y64 s PRO 164 Ca 0.02 2.30 0.04 0.00 0.02 0.00 0.00 61.00 63.38 1y64 s PRO 164 Cb -0.21 -3.31 -0.04 0.00 0.02 0.00 0.00 34.50 30.96 1y64 s PRO 164 CO -0.04 -0.62 0.04 0.42 -0.33 0.00 0.00 177.00 176.48 1y64 s ILE 165 N 1.60 1.27 -0.30 2.83 1.01 -1.25 -1.89 121.20 124.47 1y64 s ILE 165 Ca 0.70 -2.00 -0.13 0.00 0.00 0.00 0.00 60.65 59.22 1y64 s ILE 165 Cb -0.41 -2.56 0.19 0.00 0.01 0.00 0.00 42.46 39.69 1y64 s ILE 165 CO 0.31 0.00 1.15 -0.47 0.00 0.00 0.00 174.94 175.93 1y64 s TYR 166 N -3.00 -0.04 -0.40 3.97 5.04 -1.08 -1.42 117.35 120.42 1y64 s TYR 166 Ca 0.24 0.00 -0.03 0.00 -2.44 0.00 0.00 57.07 54.84 1y64 s TYR 166 Cb 0.06 0.01 0.00 0.00 0.35 0.00 0.00 41.96 42.38 1y64 s TYR 166 CO 0.12 -0.03 0.42 0.39 -1.34 0.00 0.00 175.55 175.11 1y64 n GLU 167 N 3.38 -1.06 -0.10 4.97 1.02 0.34 -2.97 120.64 126.22 1y64 n GLU 167 Ca 0.05 1.26 0.00 0.00 -0.02 0.00 0.00 57.16 58.45 1y64 n GLU 167 Cb 0.65 -4.18 0.00 0.00 -0.02 0.00 0.00 31.44 27.89 1y64 n GLU 167 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1y64 n GLY 168 N -1.12 0.00 3.28 0.62 0.00 -1.24 -4.83 105.19 101.90 1y64 n GLY 168 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1y64 n GLY 168 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1y64 s TYR 169 N -0.15 3.33 0.71 1.61 5.04 -1.16 -5.01 117.35 121.72 1y64 s TYR 169 Ca 0.00 -1.48 -0.14 0.00 -2.44 0.00 0.00 57.07 53.01 1y64 s TYR 169 Cb 0.00 -3.36 0.03 0.00 0.35 0.00 0.00 41.96 38.97 1y64 s TYR 169 CO 0.00 -0.93 1.13 0.00 -1.34 0.00 0.00 175.55 174.42 1y64 s ALA 170 N 1.48 2.30 -0.73 3.97 0.00 -1.26 -2.64 121.76 124.89 1y64 s ALA 170 Ca 0.04 0.59 -0.10 0.00 0.00 0.00 0.00 51.96 52.50 1y64 s ALA 170 Cb -0.26 -3.36 0.19 0.00 0.00 0.00 0.00 23.12 19.69 1y64 s ALA 170 CO 0.02 -1.57 0.62 -0.51 0.00 0.00 0.00 175.76 174.32 1y64 s LEU 171 N -5.17 6.15 0.27 0.00 1.02 -0.79 -4.96 118.68 115.18 1y64 s LEU 171 Ca 0.68 -2.67 0.06 0.00 0.02 0.00 0.00 54.13 52.22 1y64 s LEU 171 Cb -0.22 -2.07 0.76 0.00 0.02 0.00 0.00 46.19 44.67 1y64 s LEU 171 CO 0.45 -0.52 1.27 -2.65 0.02 0.00 0.00 176.35 174.92 1y64 n PRO 172 N 3.90 -0.06 0.04 1.29 -0.02 -1.26 -0.30 135.00 138.59 1y64 n PRO 172 Ca 0.09 1.18 0.13 0.00 -2.02 0.00 0.00 63.50 62.89 1y64 n PRO 172 Cb 0.43 -1.95 0.46 0.00 -0.02 0.00 0.00 33.50 32.42 1y64 n PRO 172 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1y64 n HIS 173 N -5.06 0.32 -1.11 6.00 8.25 -1.26 -3.88 115.22 118.49 1y64 n HIS 173 Ca 0.22 0.09 0.07 0.00 -0.26 0.00 0.00 57.72 57.85 1y64 n HIS 173 Cb 0.75 -0.60 0.22 0.00 1.12 0.00 0.00 29.99 31.47 1y64 n HIS 173 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1y64 n ALA 174 N -1.62 3.06 -2.46 -1.41 0.00 0.59 -4.95 120.51 113.72 1y64 n ALA 174 Ca 0.06 -2.56 -0.39 0.00 0.00 0.00 0.00 53.44 50.55 1y64 n ALA 174 Cb 0.38 -0.63 -0.06 0.00 0.00 0.00 0.00 19.45 19.14 1y64 n ALA 174 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1y64 s ILE 175 N -2.93 4.89 -0.17 0.00 1.01 -1.16 -4.35 121.20 118.50 1y64 s ILE 175 Ca 0.40 1.22 -0.07 0.00 0.00 0.00 0.00 60.65 62.20 1y64 s ILE 175 Cb 0.34 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 1y64 s ILE 175 CO 0.05 0.44 0.08 -0.04 0.00 0.00 0.00 174.94 175.47 1y64 s MET 176 N -0.31 3.86 -0.11 2.79 -1.94 0.29 -4.92 119.30 118.96 1y64 s MET 176 Ca 0.30 -0.30 0.04 0.00 -1.71 0.00 0.00 55.69 54.02 1y64 s MET 176 Cb -0.18 -3.21 0.00 0.00 2.01 0.00 0.00 34.83 33.45 1y64 s MET 176 CO 0.17 0.38 -0.23 0.50 -0.01 0.00 0.00 175.02 175.83 1y64 s ARG 177 N 0.09 3.06 -0.00 2.03 3.52 -1.26 0.13 118.95 126.51 1y64 s ARG 177 Ca 0.06 -0.87 0.05 0.00 -0.13 0.00 0.00 55.73 54.84 1y64 s ARG 177 Cb -0.12 -2.34 -0.01 0.00 -1.56 0.00 0.00 34.95 30.91 1y64 s ARG 177 CO 0.00 0.15 -0.16 -1.17 -0.81 0.00 0.00 175.30 173.31 1y64 s LEU 178 N 0.42 2.05 -0.41 -0.88 0.20 -0.57 -5.01 118.68 114.49 1y64 s LEU 178 Ca -0.16 -0.31 0.03 0.00 0.69 0.00 0.00 54.13 54.38 1y64 s LEU 178 Cb -0.17 -0.79 0.57 0.00 -0.43 0.00 0.00 46.19 45.37 1y64 s LEU 178 CO 0.07 0.17 1.82 0.47 -0.29 0.00 0.00 176.35 178.59 1y64 n ASP 179 N 2.58 3.94 -4.40 3.68 8.00 -1.26 -2.50 116.55 126.59 1y64 n ASP 179 Ca -0.15 -3.42 -0.33 0.00 0.71 0.00 0.00 54.79 51.61 1y64 n ASP 179 Cb 0.55 -0.81 -0.14 0.00 -0.02 0.00 0.00 41.12 40.69 1y64 n ASP 179 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1y64 s LEU 180 N -2.91 2.63 0.00 0.64 0.20 -1.26 -4.90 118.68 113.08 1y64 s LEU 180 Ca 0.50 -0.30 0.00 0.00 0.69 0.00 0.00 54.13 55.02 1y64 s LEU 180 Cb 0.42 -1.55 0.00 0.00 -0.43 0.00 0.00 46.19 44.63 1y64 s LEU 180 CO 0.09 0.25 0.00 0.00 -0.29 0.00 0.00 176.35 176.40 1y64 n ALA 181 N 2.96 0.00 -1.00 5.97 0.00 -1.26 -4.02 120.51 123.16 1y64 n ALA 181 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1y64 n ALA 181 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1y64 n ALA 181 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y64 n GLY 182 N 0.00 -0.26 0.35 0.00 0.00 1.50 -1.21 105.19 105.57 1y64 n GLY 182 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1y64 n GLY 182 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1y64 h ARG 183 N 0.00 0.00 -0.31 1.61 0.11 -1.90 1.27 114.38 115.16 1y64 h ARG 183 Ca 0.00 0.00 0.01 0.00 0.10 0.00 0.00 59.98 60.09 1y64 h ARG 183 Cb 0.00 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.06 1y64 h ARG 183 CO 0.00 0.00 0.19 -0.44 0.10 0.00 0.00 179.97 179.82 1y64 h ASP 184 N 0.00 0.32 0.00 0.08 3.32 -1.75 -2.50 116.42 115.89 1y64 h ASP 184 Ca 0.05 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1y64 h ASP 184 Cb 1.61 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 41.09 1y64 h ASP 184 CO -0.00 0.23 -0.01 -0.07 -1.72 0.00 0.00 179.24 177.67 1y64 h LEU 185 N 0.39 0.01 -0.96 1.55 3.38 0.31 -3.06 115.31 116.93 1y64 h LEU 185 Ca 0.12 -0.90 0.10 0.00 0.09 0.00 0.00 57.88 57.29 1y64 h LEU 185 Cb -0.02 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1y64 h LEU 185 CO -0.05 0.91 0.85 0.74 0.09 0.00 0.00 178.44 180.98 1y64 h THR 186 N -0.88 0.05 0.00 0.22 2.02 -1.45 0.22 112.91 113.09 1y64 h THR 186 Ca -0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 1y64 h THR 186 Cb 0.91 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1y64 h THR 186 CO 0.00 0.00 -0.29 0.44 0.37 0.00 0.00 175.52 176.04 1y64 h ASP 187 N 0.00 0.00 -0.00 4.18 5.19 -1.39 -3.30 116.42 121.09 1y64 h ASP 187 Ca 0.16 -0.48 0.00 0.00 -0.62 0.00 0.00 57.03 56.09 1y64 h ASP 187 Cb 1.85 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 41.36 1y64 h ASP 187 CO -0.00 0.90 0.07 0.22 -3.12 0.00 0.00 179.24 177.32 1y64 h TYR 188 N -1.00 0.00 0.29 4.55 3.20 -0.87 -2.39 116.97 120.75 1y64 h TYR 188 Ca -0.06 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.79 1y64 h TYR 188 Cb 0.69 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.96 1y64 h TYR 188 CO 0.10 0.00 -0.14 1.37 -1.64 0.00 0.00 178.16 177.85 1y64 h LEU 189 N 0.00 -0.33 -1.90 2.82 8.10 -1.57 -2.97 115.31 119.46 1y64 h LEU 189 Ca 0.00 0.01 0.44 0.00 0.11 0.00 0.00 57.88 58.44 1y64 h LEU 189 Cb 0.15 0.08 -0.07 0.00 -0.44 0.00 0.00 40.66 40.38 1y64 h LEU 189 CO -0.00 -0.12 1.07 0.24 -4.11 0.00 0.00 178.44 175.52 1y64 h MET 190 N -0.62 0.03 0.09 0.17 2.86 -1.56 0.44 114.93 116.34 1y64 h MET 190 Ca -0.04 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1y64 h MET 190 Cb 0.29 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1y64 h MET 190 CO 0.06 0.02 -0.17 -0.22 1.06 0.00 0.00 176.91 177.67 1y64 h LYS 191 N 0.03 -0.26 -0.31 1.72 1.63 -1.29 -3.26 116.57 114.83 1y64 h LYS 191 Ca 0.74 0.02 -0.12 0.00 -0.85 0.00 0.00 60.65 60.45 1y64 h LYS 191 Cb 2.86 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 34.54 1y64 h LYS 191 CO -0.07 -0.18 -0.29 -0.84 -3.45 0.00 0.00 179.45 174.63 1y64 h ILE 192 N -0.27 1.28 -0.73 2.00 -0.00 -0.03 -3.25 117.51 116.50 1y64 h ILE 192 Ca -0.01 -1.39 0.14 0.00 -0.00 0.00 0.00 64.86 63.60 1y64 h ILE 192 Cb 0.26 1.35 -0.09 0.00 -0.00 0.00 0.00 36.82 38.34 1y64 h ILE 192 CO -0.07 0.45 0.26 -0.07 -0.00 0.00 0.00 178.15 178.73 1y64 h LEU 193 N 0.54 0.22 -0.65 0.16 3.38 -1.28 0.36 115.31 118.04 1y64 h LEU 193 Ca 0.07 0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 1y64 h LEU 193 Cb 0.77 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1y64 h LEU 193 CO 0.06 0.08 -0.24 0.74 0.09 0.00 0.00 178.44 179.17 1y64 h THR 194 N 0.40 0.48 0.00 0.22 2.02 -1.64 -1.88 112.91 112.51 1y64 h THR 194 Ca 0.40 -1.33 0.00 0.00 0.77 0.00 0.00 66.41 66.25 1y64 h THR 194 Cb 0.61 1.96 0.00 0.00 -1.74 0.00 0.00 68.15 68.98 1y64 h THR 194 CO -0.41 0.23 0.00 -0.62 0.37 0.00 0.00 175.52 175.09 1y64 n GLU 195 N -3.26 0.49 -2.67 6.66 1.02 0.12 0.29 120.64 123.29 1y64 n GLU 195 Ca 0.01 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.08 1y64 n GLU 195 Cb 0.52 -1.28 0.04 0.00 -0.02 0.00 0.00 31.44 30.70 1y64 n GLU 195 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1y64 n ARG 196 N -0.78 1.92 -1.46 3.49 0.63 -0.71 -5.06 116.66 114.69 1y64 n ARG 196 Ca 0.07 -3.59 0.00 0.00 -0.92 0.00 0.00 57.85 53.41 1y64 n ARG 196 Cb 0.03 -1.64 0.00 0.00 0.45 0.00 0.00 32.46 31.30 1y64 n ARG 196 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1y64 n GLY 197 N -0.47 0.00 3.12 5.14 0.00 0.83 -4.95 105.19 108.86 1y64 n GLY 197 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.08 1y64 n GLY 197 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1y64 s TYR 198 N -0.27 0.68 -2.00 1.61 1.51 -1.22 -4.86 117.35 112.80 1y64 s TYR 198 Ca 0.00 -1.14 0.08 0.00 -1.01 0.00 0.00 57.07 54.99 1y64 s TYR 198 Cb 0.00 -0.43 0.45 0.00 -0.11 0.00 0.00 41.96 41.87 1y64 s TYR 198 CO 0.00 -0.45 0.98 -1.13 -1.11 0.00 0.00 175.55 173.84 1y64 n SER 199 N 0.01 0.00 -4.38 2.29 3.41 -1.26 -4.65 113.62 109.04 1y64 n SER 199 Ca -0.10 -1.00 -0.45 0.00 -0.26 0.00 0.00 58.87 57.06 1y64 n SER 199 Cb 0.62 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.54 1y64 n SER 199 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1y64 s PHE 200 N -2.00 3.12 0.21 7.33 0.40 -1.26 -4.39 117.98 121.39 1y64 s PHE 200 Ca 0.11 -1.18 0.00 0.00 -0.60 0.00 0.00 56.93 55.26 1y64 s PHE 200 Cb 0.05 -4.04 0.00 0.00 0.51 0.00 0.00 43.02 39.54 1y64 s PHE 200 CO 0.09 -1.30 0.00 1.33 0.70 0.00 0.00 175.22 176.04 1y64 n VAL 201 N 5.31 0.00 -0.54 -0.44 0.24 -1.22 -4.71 118.33 116.97 1y64 n VAL 201 Ca -0.00 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.11 1y64 n VAL 201 Cb 0.44 -0.30 0.15 0.00 -1.47 0.00 0.00 33.84 32.66 1y64 n VAL 201 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1y64 n THR 202 N -3.06 0.00 0.00 3.34 -2.24 -1.26 -4.88 114.28 106.19 1y64 n THR 202 Ca 0.00 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1y64 n THR 202 Cb 0.00 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 67.74 1y64 n THR 202 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1y64 n THR 203 N -4.39 0.00 -0.43 4.28 -1.04 -1.26 -3.72 114.28 107.72 1y64 n THR 203 Ca 0.05 0.33 0.35 0.00 -2.04 0.00 0.00 64.05 62.75 1y64 n THR 203 Cb 0.37 -0.71 0.63 0.00 -1.82 0.00 0.00 70.33 68.80 1y64 n THR 203 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1y64 h ALA 204 N -2.00 2.64 0.00 2.41 0.00 -1.99 2.06 119.26 122.37 1y64 h ALA 204 Ca 0.00 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1y64 h ALA 204 Cb 0.00 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1y64 h ALA 204 CO 0.00 -1.26 -0.16 0.39 0.00 0.00 0.00 179.25 178.22 1y64 n GLU 205 N -4.74 1.39 0.00 0.00 -0.58 -1.25 -2.83 120.64 112.64 1y64 n GLU 205 Ca 0.36 -0.41 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 1y64 n GLU 205 Cb 1.37 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 30.83 1y64 n GLU 205 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1y64 n ARG 206 N 1.92 0.00 0.05 3.49 0.63 0.69 -3.44 116.66 120.01 1y64 n ARG 206 Ca 0.18 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 57.04 1y64 n ARG 206 Cb 0.66 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.54 1y64 n ARG 206 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1y64 h GLU 207 N 0.00 -0.28 -2.26 -0.14 4.57 -1.22 0.20 114.58 115.45 1y64 h GLU 207 Ca 0.00 0.02 -0.12 0.00 -1.18 0.00 0.00 59.36 58.08 1y64 h GLU 207 Cb 0.00 0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.61 1y64 h GLU 207 CO 0.00 -0.19 -0.11 0.44 -1.18 0.00 0.00 179.01 177.97 1y64 n ILE 208 N -3.56 2.01 -0.52 2.32 -6.64 -1.15 -1.78 119.36 110.04 1y64 n ILE 208 Ca -0.03 -0.96 0.00 0.00 -1.77 0.00 0.00 62.75 59.99 1y64 n ILE 208 Cb 0.16 -1.79 0.00 0.00 -1.44 0.00 0.00 39.64 36.57 1y64 n ILE 208 CO 0.00 0.00 0.00 0.52 -1.77 0.00 0.00 176.55 175.30 1y64 n VAL 209 N 2.52 0.00 -0.01 7.28 0.31 -0.03 -4.67 118.33 123.73 1y64 n VAL 209 Ca 0.26 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.43 1y64 n VAL 209 Cb 0.61 0.29 -0.10 0.00 -0.91 0.00 0.00 33.84 33.72 1y64 n VAL 209 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 1y64 h ARG 210 N 0.00 0.44 -1.88 5.55 0.11 -0.48 -3.16 114.38 114.95 1y64 h ARG 210 Ca 0.00 -0.41 0.55 0.00 0.10 0.00 0.00 59.98 60.22 1y64 h ARG 210 Cb 0.00 0.10 -0.08 0.00 1.11 0.00 0.00 29.97 31.11 1y64 h ARG 210 CO 0.00 1.06 1.35 -3.47 0.10 0.00 0.00 179.97 179.01 1y64 n ASP 211 N -4.25 0.01 0.23 0.08 -0.08 -1.22 0.25 116.55 111.58 1y64 n ASP 211 Ca -0.09 0.96 -0.09 0.00 -1.51 0.00 0.00 54.79 54.06 1y64 n ASP 211 Cb 0.63 -0.48 -0.04 0.00 2.34 0.00 0.00 41.12 43.56 1y64 n ASP 211 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1y64 h ILE 212 N 0.00 0.00 -0.77 5.18 5.03 -1.82 -1.46 117.51 123.68 1y64 h ILE 212 Ca 0.90 -0.02 0.16 0.00 -0.12 0.00 0.00 64.86 65.78 1y64 h ILE 212 Cb 3.60 0.00 -0.15 0.00 -3.03 0.00 0.00 36.82 37.25 1y64 h ILE 212 CO -0.02 0.00 -0.15 0.29 -0.68 0.00 0.00 178.15 177.59 1y64 n LYS 213 N -3.65 -0.07 0.17 2.37 5.02 0.71 -1.94 118.16 120.77 1y64 n LYS 213 Ca -0.07 1.19 -0.12 0.00 -2.02 0.00 0.00 58.31 57.28 1y64 n LYS 213 Cb 0.23 -1.79 -0.07 0.00 -0.02 0.00 0.00 35.03 33.38 1y64 n LYS 213 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1y64 h GLU 214 N 0.00 -0.45 -3.14 1.97 5.08 -1.38 -3.37 114.58 113.29 1y64 h GLU 214 Ca 0.39 0.03 -0.78 0.00 -1.00 0.00 0.00 59.36 58.00 1y64 h GLU 214 Cb 0.63 0.10 -0.20 0.00 0.50 0.00 0.00 28.75 29.79 1y64 h GLU 214 CO -0.78 -0.14 1.59 1.63 -1.00 0.00 0.00 179.01 180.31 1y64 n LYS 215 N -5.12 4.11 0.00 2.33 5.02 -0.56 -4.84 118.16 119.10 1y64 n LYS 215 Ca -0.09 -3.94 0.00 0.00 -2.02 0.00 0.00 58.31 52.27 1y64 n LYS 215 Cb 0.27 -2.73 0.00 0.00 -0.02 0.00 0.00 35.03 32.55 1y64 n LYS 215 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1y64 n LEU 216 N 2.56 0.00 -3.09 -0.35 4.77 -1.17 -4.80 117.00 114.92 1y64 n LEU 216 Ca 0.37 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 56.31 1y64 n LEU 216 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1y64 n LEU 216 CO 0.76 0.00 0.22 0.00 -1.33 0.00 0.00 177.39 177.04 1y64 n TYR 218 N -1.51 -1.05 -3.63 0.00 0.18 -0.77 -4.38 117.16 105.99 1y64 n TYR 218 Ca -0.01 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.66 1y64 n TYR 218 Cb 0.51 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.36 1y64 n TYR 218 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1y64 s VAL 219 N 0.80 -0.52 0.00 -3.48 1.01 -0.99 -2.46 120.40 114.76 1y64 s VAL 219 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.18 1y64 s VAL 219 Cb 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.82 1y64 s VAL 219 CO 0.00 0.07 0.00 0.00 0.00 0.00 0.00 175.10 175.17 1y64 n ALA 220 N 5.37 0.00 0.00 5.51 0.00 -1.26 -4.52 120.51 125.61 1y64 n ALA 220 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1y64 n ALA 220 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1y64 n ALA 220 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1y64 n LEU 221 N 0.00 0.00 -3.64 0.00 7.94 -1.26 -4.78 117.00 115.26 1y64 n LEU 221 Ca 0.00 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.81 1y64 n LEU 221 Cb 0.00 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 43.88 1y64 n LEU 221 CO 0.00 0.00 0.76 -0.62 -1.11 0.00 0.00 177.39 176.42 1y64 s ASP 222 N -0.35 -0.43 0.12 1.96 2.15 -1.26 -4.98 116.67 113.88 1y64 s ASP 222 Ca 0.00 0.82 0.16 0.00 0.43 0.00 0.00 52.55 53.97 1y64 s ASP 222 Cb 0.00 0.84 -0.09 0.00 -0.30 0.00 0.00 42.92 43.37 1y64 s ASP 222 CO 0.00 -0.14 0.98 -0.26 -0.17 0.00 0.00 175.17 175.58 1y64 h PHE 223 N 4.17 0.00 0.00 -5.34 0.04 -1.99 -2.02 116.94 111.81 1y64 h PHE 223 Ca -0.28 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.49 1y64 h PHE 223 Cb 1.18 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.33 1y64 h PHE 223 CO 0.31 0.54 0.00 0.39 -0.60 0.00 0.00 178.31 178.95 1y64 n GLU 224 N -2.96 0.75 0.00 1.51 4.71 -1.26 -1.27 120.64 122.12 1y64 n GLU 224 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.09 1y64 n GLU 224 Cb 0.80 -1.34 0.00 0.00 -1.01 0.00 0.00 31.44 29.90 1y64 n GLU 224 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1y64 n ASN 225 N 0.06 0.00 0.00 1.62 3.02 -1.22 -4.95 115.26 113.79 1y64 n ASN 225 Ca 0.00 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.81 1y64 n ASN 225 Cb 0.17 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 1y64 n ASN 225 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1y64 n GLU 226 N 0.00 1.93 0.00 3.52 2.13 -0.76 -4.62 120.64 122.84 1y64 n GLU 226 Ca 0.00 -0.01 0.15 0.00 0.66 0.00 0.00 57.16 57.96 1y64 n GLU 226 Cb 0.18 -0.18 0.71 0.00 0.27 0.00 0.00 31.44 32.42 1y64 n GLU 226 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 1y64 n MET 227 N -0.28 0.80 -1.12 5.31 2.81 -0.40 -2.79 117.12 121.46 1y64 n MET 227 Ca 0.00 -0.21 -0.15 0.00 -1.81 0.00 0.00 57.70 55.53 1y64 n MET 227 Cb 0.01 -1.50 0.24 0.00 -0.71 0.00 0.00 33.22 31.27 1y64 n MET 227 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1y64 n ALA 228 N -0.92 5.08 -2.22 3.04 0.00 -1.26 -3.54 120.51 120.69 1y64 n ALA 228 Ca 0.17 -2.58 -0.09 0.00 0.00 0.00 0.00 53.44 50.94 1y64 n ALA 228 Cb 0.24 -1.35 0.06 0.00 0.00 0.00 0.00 19.45 18.40 1y64 n ALA 228 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1y64 n THR 229 N -0.63 1.86 0.00 0.00 -1.04 -1.12 -4.12 114.28 109.22 1y64 n THR 229 Ca 0.50 -3.35 0.00 0.00 -2.04 0.00 0.00 64.05 59.16 1y64 n THR 229 Cb 1.53 -0.08 0.00 0.00 -1.82 0.00 0.00 70.33 69.96 1y64 n THR 229 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1y64 n ALA 230 N -0.62 0.00 -0.06 2.41 0.00 -1.26 -4.07 120.51 116.92 1y64 n ALA 230 Ca 0.25 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.72 1y64 n ALA 230 Cb 0.89 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.41 1y64 n ALA 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y64 n ALA 231 N 0.00 2.11 -1.80 0.00 0.00 -1.23 -4.14 120.51 115.45 1y64 n ALA 231 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.41 1y64 n ALA 231 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.25 1y64 n ALA 231 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1y64 n SER 232 N -0.00 0.00 -0.11 0.00 7.64 -1.26 -4.93 113.62 114.96 1y64 n SER 232 Ca 0.05 -0.86 0.00 0.00 1.01 0.00 0.00 58.87 59.07 1y64 n SER 232 Cb 0.32 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 1y64 n SER 232 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1y64 n SER 233 N 0.00 0.00 -0.58 6.43 2.88 -1.26 -4.79 113.62 116.30 1y64 n SER 233 Ca 0.00 -0.11 -0.02 0.00 -1.33 0.00 0.00 58.87 57.41 1y64 n SER 233 Cb 0.43 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.87 1y64 n SER 233 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1y64 n SER 234 N -0.08 -0.31 -0.05 -3.46 2.88 -1.26 -3.98 113.62 107.37 1y64 n SER 234 Ca 0.00 -1.05 0.10 0.00 -1.33 0.00 0.00 58.87 56.59 1y64 n SER 234 Cb 0.00 0.09 -0.07 0.00 -0.75 0.00 0.00 64.21 63.48 1y64 n SER 234 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1y64 n SER 235 N 0.00 1.06 -0.51 -3.46 3.41 -1.26 -4.49 113.62 108.37 1y64 n SER 235 Ca -0.09 -0.99 0.14 0.00 -0.26 0.00 0.00 58.87 57.67 1y64 n SER 235 Cb 0.46 0.88 0.49 0.00 -0.26 0.00 0.00 64.21 65.78 1y64 n SER 235 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1y64 n LEU 236 N -1.35 1.59 0.00 1.04 4.77 -1.26 -4.96 117.00 116.84 1y64 n LEU 236 Ca 0.05 -0.55 -0.12 0.00 -0.03 0.00 0.00 56.01 55.36 1y64 n LEU 236 Cb 0.34 -0.01 0.11 0.00 -2.33 0.00 0.00 43.42 41.53 1y64 n LEU 236 CO 0.41 0.27 0.19 -0.62 -1.33 0.00 0.00 177.39 176.31 1y64 n GLU 237 N 0.25 -2.56 0.00 3.23 -0.58 -1.26 -4.66 120.64 115.06 1y64 n GLU 237 Ca 0.19 -0.64 0.00 0.00 -0.42 0.00 0.00 57.16 56.28 1y64 n GLU 237 Cb 0.36 -0.71 0.00 0.00 -0.57 0.00 0.00 31.44 30.52 1y64 n GLU 237 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1y64 n LYS 238 N -3.21 0.00 -4.30 3.49 5.02 0.40 -4.92 118.16 114.63 1y64 n LYS 238 Ca 0.06 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.19 1y64 n LYS 238 Cb 0.24 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.15 1y64 n LYS 238 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1y64 s SER 239 N 0.00 1.05 0.01 4.39 0.01 -1.26 0.29 113.70 118.19 1y64 s SER 239 Ca 0.00 -1.39 0.00 0.00 1.31 0.00 0.00 55.95 55.88 1y64 s SER 239 Cb 0.00 0.20 -0.01 0.00 0.21 0.00 0.00 66.02 66.41 1y64 s SER 239 CO 0.00 -0.75 -0.03 -0.47 0.41 0.00 0.00 173.24 172.40 1y64 s TYR 240 N -3.81 0.23 -0.53 2.43 5.04 0.87 -4.91 117.35 116.67 1y64 s TYR 240 Ca 0.38 -0.31 -0.17 0.00 -2.44 0.00 0.00 57.07 54.53 1y64 s TYR 240 Cb 0.08 -0.15 0.09 0.00 0.35 0.00 0.00 41.96 42.32 1y64 s TYR 240 CO 0.13 -0.10 0.56 -2.00 -1.34 0.00 0.00 175.55 172.81 1y64 s GLU 241 N -0.85 3.03 0.36 4.97 2.56 -1.26 -1.08 118.70 126.43 1y64 s GLU 241 Ca -0.08 -1.33 -0.27 0.00 0.00 0.00 0.00 54.97 53.29 1y64 s GLU 241 Cb -0.06 -4.20 -0.09 0.00 2.00 0.00 0.00 34.13 31.78 1y64 s GLU 241 CO -0.00 -1.29 1.18 -0.51 -0.56 0.00 0.00 175.26 174.07 1y64 s LEU 242 N 2.14 4.30 0.63 2.70 1.02 -1.25 -4.87 118.68 123.36 1y64 s LEU 242 Ca 0.08 2.38 0.15 0.00 0.02 0.00 0.00 54.13 56.77 1y64 s LEU 242 Cb -0.25 -3.88 0.55 0.00 0.02 0.00 0.00 46.19 42.63 1y64 s LEU 242 CO 0.07 -0.54 1.19 -0.65 0.02 0.00 0.00 176.35 176.44 1y64 h PRO 243 N 3.00 0.00 0.00 1.29 0.11 -1.97 1.71 132.00 136.14 1y64 h PRO 243 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1y64 h PRO 243 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1y64 h PRO 243 CO 0.64 0.00 -0.39 -0.40 -0.21 0.00 0.00 178.00 177.64 1y64 n ASP 244 N -2.93 0.45 0.00 -2.05 3.85 -1.26 -4.98 116.55 109.63 1y64 n ASP 244 Ca 0.13 0.05 0.00 0.00 -0.71 0.00 0.00 54.79 54.26 1y64 n ASP 244 Cb 1.27 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 41.04 1y64 n ASP 244 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1y64 n GLY 245 N 1.45 2.53 2.68 6.12 0.00 0.58 -5.00 105.19 113.55 1y64 n GLY 245 Ca 0.05 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 1y64 n GLY 245 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1y64 n GLN 246 N 0.00 0.00 -2.61 1.61 7.27 -1.26 -4.14 117.38 118.24 1y64 n GLN 246 Ca 0.00 0.00 -0.38 0.00 0.07 0.00 0.00 57.00 56.69 1y64 n GLN 246 Cb 0.00 -1.20 -0.05 0.00 2.41 0.00 0.00 30.24 31.40 1y64 n GLN 246 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 1y64 s VAL 247 N 5.67 3.82 -0.16 1.69 -7.23 -1.26 -3.81 120.40 119.12 1y64 s VAL 247 Ca 1.01 1.63 -0.03 0.00 -1.81 0.00 0.00 61.98 62.78 1y64 s VAL 247 Cb -1.13 -3.96 -0.02 0.00 0.56 0.00 0.00 36.38 31.82 1y64 s VAL 247 CO 0.48 0.24 -0.05 0.27 -0.31 0.00 0.00 175.10 175.73 1y64 s ILE 248 N -1.41 3.76 -0.27 -0.62 -5.25 -0.24 -4.93 121.20 112.24 1y64 s ILE 248 Ca 0.49 -0.40 -0.11 0.00 -0.99 0.00 0.00 60.65 59.63 1y64 s ILE 248 Cb -0.25 -2.64 -0.05 0.00 2.95 0.00 0.00 42.46 42.47 1y64 s ILE 248 CO 0.32 0.49 0.20 -0.89 -1.79 0.00 0.00 174.94 173.26 1y64 s THR 249 N 0.45 5.31 -0.13 8.37 2.01 -1.26 -0.09 115.64 130.30 1y64 s THR 249 Ca -0.04 0.20 -0.12 0.00 0.31 0.00 0.00 61.69 62.04 1y64 s THR 249 Cb -0.14 -3.53 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 1y64 s THR 249 CO 0.03 0.26 0.24 -0.51 -0.69 0.00 0.00 174.62 173.96 1y64 s ILE 250 N 1.64 5.33 0.00 1.82 2.07 0.83 -4.90 121.20 127.99 1y64 s ILE 250 Ca 0.08 0.44 0.00 0.00 -1.41 0.00 0.00 60.65 59.76 1y64 s ILE 250 Cb -0.16 -3.56 0.00 0.00 0.13 0.00 0.00 42.46 38.88 1y64 s ILE 250 CO 0.10 0.48 0.00 0.61 -1.91 0.00 0.00 174.94 174.22 1y64 n GLY 251 N 2.84 0.57 1.68 1.50 0.00 -1.26 -0.46 105.19 110.07 1y64 n GLY 251 Ca -0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 1y64 n GLY 251 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1y64 n ASN 252 N 0.00 5.73 -0.08 1.61 6.94 -1.26 -4.14 115.26 124.05 1y64 n ASN 252 Ca 0.00 -2.74 -0.11 0.00 -0.02 0.00 0.00 54.58 51.71 1y64 n ASN 252 Cb 0.00 -1.05 -0.05 0.00 -2.36 0.00 0.00 39.78 36.32 1y64 n ASN 252 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1y64 n GLU 253 N 0.81 0.49 -0.16 -3.83 -0.58 -1.26 -3.74 120.64 112.38 1y64 n GLU 253 Ca 0.16 0.53 0.04 0.00 -0.42 0.00 0.00 57.16 57.47 1y64 n GLU 253 Cb 0.56 -1.70 0.08 0.00 -0.57 0.00 0.00 31.44 29.81 1y64 n GLU 253 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1y64 n ARG 254 N -4.55 -0.04 -0.01 3.49 1.74 -1.26 0.83 116.66 116.86 1y64 n ARG 254 Ca -0.16 0.68 0.12 0.00 -0.77 0.00 0.00 57.85 57.71 1y64 n ARG 254 Cb 0.42 -1.03 0.11 0.00 -1.02 0.00 0.00 32.46 30.94 1y64 n ARG 254 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 1y64 n PHE 255 N -4.65 0.04 0.01 -1.55 -0.00 -1.03 -1.85 117.46 108.43 1y64 n PHE 255 Ca 0.08 -0.02 -0.13 0.00 -0.00 0.00 0.00 57.45 57.38 1y64 n PHE 255 Cb 0.25 -0.00 -0.10 0.00 -0.00 0.00 0.00 39.48 39.64 1y64 n PHE 255 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 1y64 h ARG 256 N 4.65 -0.07 0.48 3.97 2.43 0.34 -3.34 114.38 122.84 1y64 h ARG 256 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1y64 h ARG 256 Cb 0.99 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 1y64 h ARG 256 CO 0.00 0.43 -0.23 0.00 -1.51 0.00 0.00 179.97 178.66 1y64 h PRO 258 N -0.93 0.00 -0.70 0.00 0.13 -1.83 2.06 132.00 130.73 1y64 h PRO 258 Ca -0.07 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.15 1y64 h PRO 258 Cb 0.49 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.58 1y64 h PRO 258 CO 0.11 0.00 0.46 1.49 -0.23 0.00 0.00 178.00 179.83 1y64 h GLU 259 N 0.00 0.61 -0.85 0.86 4.57 -1.66 -2.30 114.58 115.81 1y64 h GLU 259 Ca 0.00 -0.04 0.22 0.00 -1.18 0.00 0.00 59.36 58.36 1y64 h GLU 259 Cb 1.44 -0.14 -0.14 0.00 -0.16 0.00 0.00 28.75 29.76 1y64 h GLU 259 CO 0.00 0.40 0.20 1.79 -1.18 0.00 0.00 179.01 180.22 1y64 h THR 260 N 0.62 0.34 -0.23 0.32 1.35 0.33 2.49 112.91 118.14 1y64 h THR 260 Ca 0.32 -0.07 0.04 0.00 -0.55 0.00 0.00 66.41 66.15 1y64 h THR 260 Cb 0.42 0.12 -0.07 0.00 -1.73 0.00 0.00 68.15 66.88 1y64 h THR 260 CO -0.11 0.04 -0.53 -0.07 -0.25 0.00 0.00 175.52 174.60 1y64 h LEU 261 N 0.20 -1.70 -0.44 3.87 3.38 -1.63 0.71 115.31 119.70 1y64 h LEU 261 Ca 0.52 0.21 -0.12 0.00 0.09 0.00 0.00 57.88 58.58 1y64 h LEU 261 Cb 1.02 0.68 -0.01 0.00 0.09 0.00 0.00 40.66 42.44 1y64 h LEU 261 CO -0.64 -0.45 -0.20 -0.26 0.09 0.00 0.00 178.44 176.98 1y64 h PHE 262 N -0.51 1.05 -3.79 1.13 0.04 -1.32 -2.67 116.94 110.88 1y64 h PHE 262 Ca 0.06 -0.26 -0.78 0.00 2.80 0.00 0.00 57.97 59.79 1y64 h PHE 262 Cb 0.65 -0.24 -0.27 0.00 2.20 0.00 0.00 35.95 38.28 1y64 h PHE 262 CO -0.62 1.05 0.08 -0.65 -0.60 0.00 0.00 178.31 177.57 1y64 s GLN 263 N -4.66 3.55 0.04 1.51 -1.52 0.83 -4.45 119.66 114.96 1y64 s GLN 263 Ca -0.12 -2.53 -0.24 0.00 -1.95 0.00 0.00 55.36 50.53 1y64 s GLN 263 Cb 0.11 -4.37 -0.16 0.00 -0.22 0.00 0.00 33.01 28.37 1y64 s GLN 263 CO 0.85 -1.28 1.52 -1.35 -0.25 0.00 0.00 175.29 174.79 1y64 h PRO 264 N 7.62 0.05 -0.34 2.91 0.11 -1.09 -3.22 132.00 138.03 1y64 h PRO 264 Ca 0.10 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.26 1y64 h PRO 264 Cb 1.02 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.07 1y64 h PRO 264 CO 0.76 0.27 -0.11 -1.13 -0.21 0.00 0.00 178.00 177.58 1y64 n SER 265 N -4.95 -0.18 -0.04 -2.05 3.41 -0.16 -3.37 113.62 106.28 1y64 n SER 265 Ca -0.07 0.58 0.07 0.00 -0.26 0.00 0.00 58.87 59.19 1y64 n SER 265 Cb 0.14 -0.15 0.11 0.00 -0.26 0.00 0.00 64.21 64.05 1y64 n SER 265 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1y64 n PHE 266 N -4.52 0.00 -2.59 7.33 3.01 -1.25 0.32 117.46 119.76 1y64 n PHE 266 Ca 0.04 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.40 1y64 n PHE 266 Cb 0.15 -0.07 0.03 0.00 -0.01 0.00 0.00 39.48 39.58 1y64 n PHE 266 CO 0.00 0.00 0.00 0.44 1.01 0.00 0.00 176.76 178.21 1y64 n ILE 267 N -1.76 1.56 0.00 4.37 -5.35 -1.22 -4.96 119.36 112.01 1y64 n ILE 267 Ca 0.06 -3.44 0.00 0.00 -0.27 0.00 0.00 62.75 59.10 1y64 n ILE 267 Cb 0.45 0.37 0.00 0.00 -1.74 0.00 0.00 39.64 38.72 1y64 n ILE 267 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1y64 n GLY 268 N -0.46 0.94 0.44 3.28 0.00 0.95 -4.87 105.19 105.47 1y64 n GLY 268 Ca 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.17 1y64 n GLY 268 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1y64 n MET 269 N 0.00 0.00 0.00 1.61 2.81 -1.22 -4.56 117.12 115.75 1y64 n MET 269 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1y64 n MET 269 Cb 0.00 -0.14 0.00 0.00 -0.71 0.00 0.00 33.22 32.37 1y64 n MET 269 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 1y64 n GLU 270 N 0.76 0.38 -2.36 0.03 0.28 -1.26 -0.99 120.64 117.48 1y64 n GLU 270 Ca 0.08 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.71 1y64 n GLU 270 Cb 0.01 -1.09 -0.02 0.00 1.43 0.00 0.00 31.44 31.77 1y64 n GLU 270 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1y64 s SER 271 N -1.17 6.52 0.16 -1.84 0.01 -1.26 -4.97 113.70 111.16 1y64 s SER 271 Ca 0.00 2.25 -0.30 0.00 1.31 0.00 0.00 55.95 59.21 1y64 s SER 271 Cb 0.00 -2.60 -0.07 0.00 0.21 0.00 0.00 66.02 63.55 1y64 s SER 271 CO 0.00 -0.67 1.14 0.00 0.41 0.00 0.00 173.24 174.12 1y64 s ALA 272 N -1.51 3.39 0.59 1.44 0.00 -1.26 -4.34 121.76 120.07 1y64 s ALA 272 Ca 0.58 0.86 -0.17 0.00 0.00 0.00 0.00 51.96 53.24 1y64 s ALA 272 Cb -0.28 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.42 1y64 s ALA 272 CO 0.35 -0.29 1.08 0.20 0.00 0.00 0.00 175.76 177.09 1y64 s GLY 273 N 0.12 2.25 0.26 0.00 0.00 -1.26 -4.74 107.32 103.95 1y64 s GLY 273 Ca 0.52 0.51 -0.05 0.00 0.00 0.00 0.00 44.72 45.70 1y64 s GLY 273 CO 0.35 0.85 1.39 4.51 0.00 0.00 0.00 173.10 180.19 1y64 n ILE 274 N -1.89 -0.37 -0.01 0.90 3.06 -1.01 0.12 119.36 120.16 1y64 n ILE 274 Ca 0.10 2.02 -0.17 0.00 -2.50 0.00 0.00 62.75 62.19 1y64 n ILE 274 Cb 0.52 -2.83 -0.09 0.00 0.54 0.00 0.00 39.64 37.78 1y64 n ILE 274 CO 0.00 0.00 0.00 1.12 -2.50 0.00 0.00 176.55 175.17 1y64 h HIS 275 N 0.00 0.83 -0.80 9.51 2.07 -1.92 -2.38 115.15 122.46 1y64 h HIS 275 Ca 0.46 -0.39 0.05 0.00 -2.85 0.00 0.00 60.37 57.64 1y64 h HIS 275 Cb 0.77 -0.12 -0.06 0.00 2.57 0.00 0.00 27.41 30.58 1y64 h HIS 275 CO -0.62 1.20 0.49 0.93 -3.07 0.00 0.00 177.93 176.86 1y64 h GLU 276 N 0.22 0.89 0.10 5.12 5.08 -0.85 -2.65 114.58 122.49 1y64 h GLU 276 Ca -0.06 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1y64 h GLU 276 Cb 1.32 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1y64 h GLU 276 CO 0.14 0.59 -0.05 1.79 -1.00 0.00 0.00 179.01 180.47 1y64 h THR 277 N 0.91 1.06 -1.17 1.13 1.35 0.10 -1.20 112.91 115.10 1y64 h THR 277 Ca 0.34 -0.66 0.40 0.00 -0.55 0.00 0.00 66.41 65.95 1y64 h THR 277 Cb 0.14 1.48 -0.14 0.00 -1.73 0.00 0.00 68.15 67.89 1y64 h THR 277 CO -0.16 0.16 0.72 0.74 -0.25 0.00 0.00 175.52 176.73 1y64 h THR 278 N -0.44 0.16 0.00 6.82 2.02 -1.18 0.47 112.91 120.76 1y64 h THR 278 Ca -0.01 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1y64 h THR 278 Cb 0.37 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 1y64 h THR 278 CO 0.02 0.03 0.00 0.00 0.37 0.00 0.00 175.52 175.94 1y64 n TYR 279 N -4.88 0.00 -0.27 3.16 9.36 -0.79 -2.57 117.16 121.18 1y64 n TYR 279 Ca 0.35 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.65 1y64 n TYR 279 Cb 1.27 -0.15 0.21 0.00 -0.63 0.00 0.00 39.34 40.05 1y64 n TYR 279 CO 0.00 0.00 0.00 -2.95 0.22 0.00 0.00 176.86 174.13 1y64 h ASN 280 N 0.00 -0.02 -0.45 2.98 -1.07 -0.72 -1.77 115.58 114.52 1y64 h ASN 280 Ca 0.00 0.17 0.05 0.00 0.07 0.00 0.00 56.30 56.58 1y64 h ASN 280 Cb 0.00 0.23 -0.07 0.00 -2.07 0.00 0.00 38.32 36.41 1y64 h ASN 280 CO 0.00 -0.08 -0.40 -1.28 0.07 0.00 0.00 177.43 175.73 1y64 h SER 281 N 0.24 -1.41 -0.69 6.14 0.87 -0.16 -0.05 113.55 118.50 1y64 h SER 281 Ca 0.46 0.20 0.12 0.00 -1.23 0.00 0.00 61.79 61.34 1y64 h SER 281 Cb 0.83 0.60 -0.09 0.00 -0.44 0.00 0.00 62.40 63.29 1y64 h SER 281 CO -0.57 -0.24 0.25 0.40 -0.53 0.00 0.00 176.83 176.14 1y64 h ILE 282 N -0.17 0.69 0.00 2.23 2.04 -1.07 0.60 117.51 121.83 1y64 h ILE 282 Ca 0.08 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1y64 h ILE 282 Cb 0.37 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1y64 h ILE 282 CO -0.52 0.07 0.01 0.23 0.00 0.00 0.00 178.15 177.95 1y64 n MET 283 N -5.02 0.00 0.00 2.37 2.81 -0.08 -1.38 117.12 115.83 1y64 n MET 283 Ca 0.12 0.24 -0.21 0.00 -1.81 0.00 0.00 57.70 56.04 1y64 n MET 283 Cb 0.36 -1.51 -0.14 0.00 -0.71 0.00 0.00 33.22 31.22 1y64 n MET 283 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1y64 h LYS 284 N 0.00 0.23 -7.11 0.03 1.79 0.74 -3.47 116.57 108.78 1y64 h LYS 284 Ca 0.00 -0.39 -0.50 0.00 -2.18 0.00 0.00 60.65 57.59 1y64 h LYS 284 Cb 0.03 0.14 0.05 0.00 -1.58 0.00 0.00 32.23 30.87 1y64 h LYS 284 CO 0.00 1.19 0.23 0.00 -1.08 0.00 0.00 179.45 179.79 1y64 n ASP 286 N -2.48 -4.21 -0.05 0.00 2.03 -1.26 -4.94 116.55 105.64 1y64 n ASP 286 Ca 0.03 0.51 -0.13 0.00 0.52 0.00 0.00 54.79 55.72 1y64 n ASP 286 Cb 0.55 -0.85 -0.07 0.00 -0.72 0.00 0.00 41.12 40.03 1y64 n ASP 286 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1y64 h ILE 287 N -0.32 1.34 0.00 5.18 2.04 -1.95 -3.32 117.51 120.49 1y64 h ILE 287 Ca -0.42 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 64.22 1y64 h ILE 287 Cb 1.40 1.87 0.00 0.00 -0.74 0.00 0.00 36.82 39.35 1y64 h ILE 287 CO 0.36 0.35 0.54 0.47 0.00 0.00 0.00 178.15 179.88 1y64 n ASP 288 N -4.63 0.13 -0.02 1.72 9.92 -1.26 -0.43 116.55 121.98 1y64 n ASP 288 Ca -0.06 0.35 0.01 0.00 -0.53 0.00 0.00 54.79 54.55 1y64 n ASP 288 Cb 0.32 -0.20 -0.07 0.00 -0.64 0.00 0.00 41.12 40.54 1y64 n ASP 288 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 1y64 n ILE 289 N -1.79 0.22 -0.33 0.53 -5.35 -1.25 -4.75 119.36 106.64 1y64 n ILE 289 Ca -0.00 -0.25 0.11 0.00 -0.27 0.00 0.00 62.75 62.33 1y64 n ILE 289 Cb 0.55 -0.14 0.23 0.00 -1.74 0.00 0.00 39.64 38.53 1y64 n ILE 289 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1y64 n ARG 290 N -2.00 -0.08 -0.20 6.28 1.74 0.43 -1.68 116.66 121.15 1y64 n ARG 290 Ca -0.06 1.44 -0.08 0.00 -0.77 0.00 0.00 57.85 58.38 1y64 n ARG 290 Cb 0.44 -2.24 -0.07 0.00 -1.02 0.00 0.00 32.46 29.57 1y64 n ARG 290 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1y64 h LYS 291 N 0.00 -0.10 0.00 5.56 1.79 -1.86 0.22 116.57 122.18 1y64 h LYS 291 Ca 0.53 0.01 -0.05 0.00 -2.18 0.00 0.00 60.65 58.96 1y64 h LYS 291 Cb 1.01 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.68 1y64 h LYS 291 CO -0.92 -0.07 -0.22 -0.44 -1.08 0.00 0.00 179.45 176.72 1y64 h ASP 292 N -0.11 0.00 0.69 0.86 3.32 -1.69 0.36 116.42 119.86 1y64 h ASP 292 Ca 0.08 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 1y64 h ASP 292 Cb 0.32 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1y64 h ASP 292 CO -0.53 0.22 -0.49 -0.07 -1.72 0.00 0.00 179.24 176.65 1y64 h LEU 293 N 0.00 -1.26 -0.59 1.55 3.38 0.17 0.56 115.31 119.11 1y64 h LEU 293 Ca -0.00 0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.14 1y64 h LEU 293 Cb 0.46 0.38 -0.07 0.00 0.09 0.00 0.00 40.66 41.52 1y64 h LEU 293 CO 0.03 -0.72 0.22 1.88 0.09 0.00 0.00 178.44 179.94 1y64 h TYR 294 N -1.13 0.39 0.00 1.13 0.05 -0.50 0.34 116.97 117.25 1y64 h TYR 294 Ca -0.09 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.72 1y64 h TYR 294 Cb 0.93 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.58 1y64 h TYR 294 CO -0.15 0.11 0.00 0.00 -1.05 0.00 0.00 178.16 177.07 1y64 n ALA 295 N -2.46 1.55 -3.03 3.88 0.00 0.12 -3.58 120.51 117.00 1y64 n ALA 295 Ca 0.08 -0.04 -0.15 0.00 0.00 0.00 0.00 53.44 53.33 1y64 n ALA 295 Cb 0.26 -1.15 -0.01 0.00 0.00 0.00 0.00 19.45 18.55 1y64 n ALA 295 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1y64 n ASN 296 N -1.35 0.82 -4.56 0.00 3.02 0.19 -4.41 115.26 108.97 1y64 n ASN 296 Ca 0.04 -2.95 -0.42 0.00 -0.03 0.00 0.00 54.58 51.21 1y64 n ASN 296 Cb 0.08 -0.47 -0.01 0.00 -0.61 0.00 0.00 39.78 38.77 1y64 n ASN 296 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1y64 s ASN 297 N -2.55 6.71 0.59 6.41 0.01 -1.18 -3.90 114.94 121.04 1y64 s ASN 297 Ca 0.36 -2.06 -0.14 0.00 -0.71 0.00 0.00 52.86 50.30 1y64 s ASN 297 Cb 0.38 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 39.43 1y64 s ASN 297 CO -0.05 -1.29 1.03 -0.69 -1.51 0.00 0.00 177.10 174.60 1y64 s VAL 298 N 4.40 4.19 0.11 1.60 1.01 -1.01 -1.65 120.40 129.05 1y64 s VAL 298 Ca 0.50 0.93 0.08 0.00 0.00 0.00 0.00 61.98 63.49 1y64 s VAL 298 Cb 0.02 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 1y64 s VAL 298 CO 0.00 -0.71 -0.19 -0.04 0.00 0.00 0.00 175.10 174.16 1y64 s MET 299 N -4.41 1.11 -0.00 2.72 1.00 -1.26 -2.44 119.30 116.02 1y64 s MET 299 Ca 0.60 -1.20 0.04 0.00 0.00 0.00 0.00 55.69 55.13 1y64 s MET 299 Cb -0.13 -1.24 -0.01 0.00 0.00 0.00 0.00 34.83 33.45 1y64 s MET 299 CO 0.41 0.27 -0.13 0.45 0.00 0.00 0.00 175.02 176.02 1y64 s SER 300 N -2.13 1.51 0.00 3.03 0.15 0.32 -4.75 113.70 111.84 1y64 s SER 300 Ca 0.08 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.46 1y64 s SER 300 Cb -0.08 -0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.07 1y64 s SER 300 CO 0.04 0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.23 1y64 n GLY 301 N 2.62 0.00 7.00 9.45 0.00 0.91 -1.48 105.19 123.69 1y64 n GLY 301 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1y64 n GLY 301 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y64 n GLY 302 N 0.00 3.38 0.00 -0.02 0.00 -1.26 -3.31 105.19 103.97 1y64 n GLY 302 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1y64 n GLY 302 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1y64 n THR 303 N 0.00 0.21 -0.02 2.61 -1.04 -1.07 -0.25 114.28 114.71 1y64 n THR 303 Ca 0.00 0.31 0.07 0.00 -2.04 0.00 0.00 64.05 62.38 1y64 n THR 303 Cb 0.00 -1.31 -0.15 0.00 -1.82 0.00 0.00 70.33 67.05 1y64 n THR 303 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1y64 n THR 304 N -0.89 0.21 -2.92 12.58 -2.24 -1.21 -4.58 114.28 115.22 1y64 n THR 304 Ca 0.00 -0.50 -0.39 0.00 -2.27 0.00 0.00 64.05 60.89 1y64 n THR 304 Cb 0.25 -0.04 -0.00 0.00 -2.10 0.00 0.00 70.33 68.44 1y64 n THR 304 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 175.07 175.65 1y64 n MET 305 N -2.26 4.47 -4.55 -0.78 0.00 0.65 -4.59 117.12 110.06 1y64 n MET 305 Ca -0.08 -4.64 -0.34 0.00 0.00 0.00 0.00 57.70 52.64 1y64 n MET 305 Cb 0.61 -2.44 -0.11 0.00 0.00 0.00 0.00 33.22 31.28 1y64 n MET 305 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 1y64 s TYR 306 N -3.35 3.00 0.48 3.17 2.02 -1.26 -4.94 117.35 116.46 1y64 s TYR 306 Ca 0.36 0.03 -0.24 0.00 -0.37 0.00 0.00 57.07 56.85 1y64 s TYR 306 Cb 0.13 -1.75 -0.07 0.00 -0.40 0.00 0.00 41.96 39.86 1y64 s TYR 306 CO -0.01 0.33 1.42 -2.30 -1.57 0.00 0.00 175.55 173.42 1y64 n PRO 307 N 2.33 2.11 -0.63 -1.71 -0.02 -1.26 -2.91 135.00 132.91 1y64 n PRO 307 Ca -0.18 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1y64 n PRO 307 Cb 0.53 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 1y64 n PRO 307 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1y64 n GLY 308 N 0.62 0.72 0.03 -1.23 0.00 -1.26 -2.35 105.19 101.71 1y64 n GLY 308 Ca 0.07 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.14 1y64 n GLY 308 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1y64 n ILE 309 N -2.48 0.35 -0.13 -0.61 0.00 -1.14 -3.82 119.36 111.52 1y64 n ILE 309 Ca 0.00 -0.57 -0.13 0.00 0.00 0.00 0.00 62.75 62.05 1y64 n ILE 309 Cb 0.00 -0.11 -0.09 0.00 0.00 0.00 0.00 39.64 39.44 1y64 n ILE 309 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1y64 h ALA 310 N 1.68 -0.76 0.00 1.51 0.00 -1.81 0.96 119.26 120.83 1y64 h ALA 310 Ca -0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1y64 h ALA 310 Cb 1.29 1.11 0.00 0.00 0.00 0.00 0.00 17.79 20.18 1y64 h ALA 310 CO 0.01 -1.01 -0.73 -0.40 0.00 0.00 0.00 179.25 177.11 1y64 n ASP 311 N -5.21 0.63 -0.12 0.00 3.85 -1.26 -3.26 116.55 111.18 1y64 n ASP 311 Ca -0.03 -0.07 -0.13 0.00 -0.71 0.00 0.00 54.79 53.86 1y64 n ASP 311 Cb 0.32 0.39 -0.02 0.00 -1.35 0.00 0.00 41.12 40.45 1y64 n ASP 311 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.20 176.10 1y64 h ARG 312 N 0.00 0.84 0.00 0.11 9.65 -1.57 -1.33 114.38 122.08 1y64 h ARG 312 Ca 0.00 -0.41 0.00 0.00 -1.10 0.00 0.00 59.98 58.47 1y64 h ARG 312 Cb 0.69 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.27 1y64 h ARG 312 CO 0.00 1.05 0.00 -0.12 2.80 0.00 0.00 179.97 183.70 1y64 n MET 313 N -4.18 0.00 0.00 0.20 1.56 0.30 -3.06 117.12 111.93 1y64 n MET 313 Ca -0.02 0.01 0.00 0.00 -0.27 0.00 0.00 57.70 57.42 1y64 n MET 313 Cb 0.48 -0.67 0.00 0.00 2.15 0.00 0.00 33.22 35.18 1y64 n MET 313 CO 0.00 0.00 0.00 0.94 -0.73 0.00 0.00 175.97 176.18 1y64 n GLN 314 N -0.18 0.00 0.15 2.12 -0.06 -1.20 0.53 117.38 118.74 1y64 n GLN 314 Ca 0.00 0.00 -0.07 0.00 -2.00 0.00 0.00 57.00 54.93 1y64 n GLN 314 Cb 0.00 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.14 1y64 n GLN 314 CO 0.00 0.00 0.00 -0.22 -0.20 0.00 0.00 177.06 176.64 1y64 h LYS 315 N 0.00 -0.42 -0.33 3.69 3.64 -1.16 -0.45 116.57 121.54 1y64 h LYS 315 Ca 0.00 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.48 1y64 h LYS 315 Cb 0.00 0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 31.83 1y64 h LYS 315 CO 0.00 -0.28 -0.23 0.93 -2.27 0.00 0.00 179.45 177.61 1y64 h GLU 316 N -0.43 -0.18 0.72 1.90 4.39 0.16 -0.26 114.58 120.88 1y64 h GLU 316 Ca -0.04 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 1y64 h GLU 316 Cb 0.35 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1y64 h GLU 316 CO 0.04 -0.12 -0.39 0.82 -1.16 0.00 0.00 179.01 178.19 1y64 h ILE 317 N -0.19 0.20 -0.51 3.13 1.08 -1.58 -0.55 117.51 119.09 1y64 h ILE 317 Ca 0.17 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.79 1y64 h ILE 317 Cb 0.45 0.20 -0.02 0.00 -3.07 0.00 0.00 36.82 34.38 1y64 h ILE 317 CO -0.44 0.00 0.50 0.74 -0.69 0.00 0.00 178.15 178.25 1y64 h THR 318 N -1.03 0.41 0.07 -0.27 2.02 -0.80 0.43 112.91 113.73 1y64 h THR 318 Ca -0.09 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 1y64 h THR 318 Cb 0.81 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 1y64 h THR 318 CO 0.13 0.00 -0.03 0.00 0.37 0.00 0.00 175.52 175.98 1y64 h ALA 319 N 1.48 -0.63 -0.42 6.16 0.00 -0.10 -3.31 119.26 122.44 1y64 h ALA 319 Ca 0.24 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.20 1y64 h ALA 319 Cb 1.23 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 1y64 h ALA 319 CO -0.00 -0.62 0.05 -0.07 0.00 0.00 0.00 179.25 178.60 1y64 h LEU 320 N -0.14 -0.07-10.17 0.00 3.38 -0.43 -3.42 115.31 104.46 1y64 h LEU 320 Ca -0.01 0.08 -0.54 0.00 0.09 0.00 0.00 57.88 57.50 1y64 h LEU 320 Cb 0.07 0.13 0.17 0.00 0.09 0.00 0.00 40.66 41.12 1y64 h LEU 320 CO 0.02 -0.00 0.41 0.00 0.09 0.00 0.00 178.44 178.95 1y64 s ALA 321 N -6.16 2.04 0.94 1.53 0.00 0.14 -4.98 121.76 115.27 1y64 s ALA 321 Ca -0.13 0.98 -0.12 0.00 0.00 0.00 0.00 51.96 52.69 1y64 s ALA 321 Cb 0.14 -3.52 0.08 0.00 0.00 0.00 0.00 23.12 19.83 1y64 s ALA 321 CO 0.72 -2.03 0.68 -2.30 0.00 0.00 0.00 175.76 172.83 1y64 n PRO 322 N -2.77 -0.38 -2.66 0.00 -0.02 -1.26 -4.82 135.00 123.08 1y64 n PRO 322 Ca 0.14 -0.06 -0.40 0.00 -2.02 0.00 0.00 63.50 61.16 1y64 n PRO 322 Cb 0.50 -2.05 0.02 0.00 -0.02 0.00 0.00 33.50 31.94 1y64 n PRO 322 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1y64 n SER 323 N -2.45 7.21 -0.00 2.55 3.41 -1.26 -3.68 113.62 119.40 1y64 n SER 323 Ca 0.09 -3.68 0.00 0.00 -0.26 0.00 0.00 58.87 55.01 1y64 n SER 323 Cb 0.53 -1.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.34 1y64 n SER 323 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1y64 n THR 324 N -0.04 0.00 -4.22 6.66 5.66 -1.26 -5.14 114.28 115.94 1y64 n THR 324 Ca 0.46 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 61.12 1y64 n THR 324 Cb 0.27 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 68.94 1y64 n THR 324 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 175.07 171.70 1y64 s MET 325 N 0.00 3.79 0.43 1.09 0.00 -1.24 -5.08 119.30 118.29 1y64 s MET 325 Ca 0.00 -0.43 -0.24 0.00 0.00 0.00 0.00 55.69 55.01 1y64 s MET 325 Cb 0.00 -3.05 -0.08 0.00 0.00 0.00 0.00 34.83 31.71 1y64 s MET 325 CO 0.00 0.28 1.24 -1.59 0.00 0.00 0.00 175.02 174.94 1y64 s LYS 326 N 0.31 3.84 0.00 4.11 -2.85 -1.26 -4.94 119.74 118.95 1y64 s LYS 326 Ca -0.00 1.98 0.16 0.00 -1.00 0.00 0.00 55.97 57.10 1y64 s LYS 326 Cb -0.13 -2.59 0.27 0.00 -2.06 0.00 0.00 37.83 33.32 1y64 s LYS 326 CO 0.02 -0.54 1.09 -0.89 0.10 0.00 0.00 175.35 175.12 1y64 n ILE 327 N -0.18 0.00 -1.67 3.79 2.08 -1.26 -4.04 119.36 118.08 1y64 n ILE 327 Ca 0.06 -0.62 -0.59 0.00 0.56 0.00 0.00 62.75 62.15 1y64 n ILE 327 Cb 0.46 0.79 -0.08 0.00 -0.75 0.00 0.00 39.64 40.06 1y64 n ILE 327 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 1y64 n LYS 328 N 0.31 0.69 -3.94 0.38 4.81 -1.23 -4.86 118.16 114.31 1y64 n LYS 328 Ca 0.01 0.25 -0.31 0.00 -0.87 0.00 0.00 58.31 57.39 1y64 n LYS 328 Cb 0.97 -1.85 -0.14 0.00 0.02 0.00 0.00 35.03 34.03 1y64 n LYS 328 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1y64 s ILE 329 N 2.34 2.64 1.13 3.15 1.01 -1.26 -3.08 121.20 127.13 1y64 s ILE 329 Ca 0.97 -2.95 -0.12 0.00 0.00 0.00 0.00 60.65 58.54 1y64 s ILE 329 Cb -1.19 -2.85 0.27 0.00 0.01 0.00 0.00 42.46 38.70 1y64 s ILE 329 CO 0.65 -0.74 1.04 -0.63 0.00 0.00 0.00 174.94 175.26 1y64 s ILE 330 N 0.14 2.03 0.00 2.92 1.09 -0.66 -4.94 121.20 121.78 1y64 s ILE 330 Ca 0.15 0.01 0.00 0.00 -1.10 0.00 0.00 60.65 59.71 1y64 s ILE 330 Cb -0.23 -2.07 0.00 0.00 -1.06 0.00 0.00 42.46 39.10 1y64 s ILE 330 CO -0.03 -0.01 0.00 0.00 -0.10 0.00 0.00 174.94 174.80 1y64 n ALA 331 N -4.83 0.00 -0.47 9.38 0.00 -1.26 -4.06 120.51 119.27 1y64 n ALA 331 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.43 1y64 n ALA 331 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1y64 n ALA 331 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1y64 n PRO 332 N 0.00 0.00 0.00 0.00 -0.02 -1.26 -4.88 135.00 128.84 1y64 n PRO 332 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.47 1y64 n PRO 332 Cb 0.00 -0.59 -0.01 0.00 -0.02 0.00 0.00 33.50 32.88 1y64 n PRO 332 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1y64 h PRO 333 N -1.05 -0.06 -2.08 0.52 0.11 -2.01 -3.37 132.00 124.06 1y64 h PRO 333 Ca -0.05 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.51 1y64 h PRO 333 Cb 0.18 0.01 -0.37 0.00 0.11 0.00 0.00 31.00 30.93 1y64 h PRO 333 CO 0.03 -0.04 -1.01 -0.85 -0.21 0.00 0.00 178.00 175.92 1y64 n GLU 334 N -2.81 0.46 0.14 1.05 0.00 -1.26 -4.96 120.64 113.25 1y64 n GLU 334 Ca -0.01 -3.11 0.04 0.00 0.00 0.00 0.00 57.16 54.08 1y64 n GLU 334 Cb 0.04 -1.44 0.24 0.00 0.00 0.00 0.00 31.44 30.27 1y64 n GLU 334 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 1y64 n ARG 335 N 2.14 0.06 0.00 3.44 1.85 -1.26 -0.42 116.66 122.48 1y64 n ARG 335 Ca 0.25 0.50 0.00 0.00 -1.00 0.00 0.00 57.85 57.60 1y64 n ARG 335 Cb 0.51 -2.07 0.00 0.00 -1.05 0.00 0.00 32.46 29.85 1y64 n ARG 335 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 1y64 n LYS 336 N -1.87 0.43 0.00 2.89 2.85 -1.26 0.17 118.16 121.37 1y64 n LYS 336 Ca -0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 1y64 n LYS 336 Cb 0.38 -1.13 0.00 0.00 -0.65 0.00 0.00 35.03 33.63 1y64 n LYS 336 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1y64 n TYR 337 N -0.02 0.00 0.00 5.58 4.02 0.44 -4.70 117.16 122.49 1y64 n TYR 337 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1y64 n TYR 337 Cb 0.07 0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.46 1y64 n TYR 337 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1y64 n SER 338 N 0.00 0.00 -0.20 7.72 2.88 0.46 0.13 113.62 124.62 1y64 n SER 338 Ca 0.00 1.00 -0.02 0.00 -1.33 0.00 0.00 58.87 58.52 1y64 n SER 338 Cb 0.37 -0.50 0.05 0.00 -0.75 0.00 0.00 64.21 63.38 1y64 n SER 338 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 1y64 h VAL 339 N 0.00 0.39 -0.41 2.46 3.04 -1.81 0.86 116.25 120.79 1y64 h VAL 339 Ca 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.70 1y64 h VAL 339 Cb 0.00 0.39 -0.02 0.00 -2.01 0.00 0.00 31.29 29.65 1y64 h VAL 339 CO 0.00 0.00 0.26 -0.25 -1.01 0.00 0.00 177.57 176.57 1y64 h TRP 340 N -0.01 0.50 0.31 3.17 7.01 -1.68 -1.35 115.95 123.89 1y64 h TRP 340 Ca 0.28 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.29 1y64 h TRP 340 Cb 0.44 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 27.31 1y64 h TRP 340 CO -0.49 0.31 -0.47 0.82 -2.79 0.00 0.00 178.44 175.81 1y64 h ILE 341 N 0.54 0.00 -1.18 2.65 2.04 0.25 0.23 117.51 122.04 1y64 h ILE 341 Ca 0.15 0.00 0.34 0.00 1.00 0.00 0.00 64.86 66.35 1y64 h ILE 341 Cb -0.04 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 35.98 1y64 h ILE 341 CO -0.04 0.00 0.83 1.23 0.00 0.00 0.00 178.15 180.17 1y64 h GLY 342 N -0.82 0.25 0.94 5.37 0.00 -0.79 0.84 103.07 108.87 1y64 h GLY 342 Ca -0.04 -0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.27 1y64 h GLY 342 CO -0.14 -0.04 0.28 -1.33 0.00 0.00 0.00 176.54 175.31 1y64 h GLY 343 N 0.07 0.63 2.00 4.60 0.00 0.61 -1.01 103.07 109.97 1y64 h GLY 343 Ca 0.58 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1y64 h GLY 343 CO -0.07 0.20 0.00 -1.26 0.00 0.00 0.00 176.54 175.41 1y64 n SER 344 N -4.81 0.03 -0.03 0.19 2.88 0.29 -3.88 113.62 108.28 1y64 n SER 344 Ca 0.02 0.50 -0.01 0.00 -1.33 0.00 0.00 58.87 58.05 1y64 n SER 344 Cb 0.05 -0.51 -0.00 0.00 -0.75 0.00 0.00 64.21 62.99 1y64 n SER 344 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1y64 h ILE 345 N 0.00 0.00 0.00 2.46 2.04 -0.68 -1.98 117.51 119.35 1y64 h ILE 345 Ca 0.00 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.27 1y64 h ILE 345 Cb 0.36 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 1y64 h ILE 345 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 178.15 178.04 1y64 n LEU 346 N -3.64 0.00 0.00 1.44 7.94 -0.82 -0.31 117.00 121.61 1y64 n LEU 346 Ca -0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 1y64 n LEU 346 Cb 0.07 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.02 1y64 n LEU 346 CO 0.03 0.00 -0.13 0.00 -1.11 0.00 0.00 177.39 176.17 1y64 n ALA 347 N -0.38 1.88 0.23 1.96 0.00 -1.25 -4.65 120.51 118.30 1y64 n ALA 347 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1y64 n ALA 347 Cb 0.00 0.12 0.53 0.00 0.00 0.00 0.00 19.45 20.10 1y64 n ALA 347 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1y64 h SER 348 N 0.00 0.00 0.00 0.00 4.64 -0.54 -2.91 113.55 114.74 1y64 h SER 348 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1y64 h SER 348 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1y64 h SER 348 CO 0.00 0.23 0.00 -0.11 -0.87 0.00 0.00 176.83 176.08 1y64 n LEU 349 N -3.60 0.27 0.00 5.97 7.94 0.57 -4.86 117.00 123.30 1y64 n LEU 349 Ca -0.01 -0.14 0.00 0.00 -1.11 0.00 0.00 56.01 54.75 1y64 n LEU 349 Cb 0.37 -0.14 0.00 0.00 0.53 0.00 0.00 43.42 44.18 1y64 n LEU 349 CO 0.33 0.07 0.00 -0.24 -1.11 0.00 0.00 177.39 176.44 1y64 n SER 350 N 0.13 0.00 0.00 1.96 2.88 -1.10 -3.49 113.62 114.00 1y64 n SER 350 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1y64 n SER 350 Cb 0.07 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 1y64 n SER 350 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1y64 n THR 351 N 0.00 0.00 0.04 2.46 -2.24 -1.26 0.13 114.28 113.41 1y64 n THR 351 Ca 0.00 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.80 1y64 n THR 351 Cb 0.00 0.00 0.11 0.00 -2.10 0.00 0.00 70.33 68.34 1y64 n THR 351 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1y64 n PHE 352 N 0.00 0.14 0.22 4.78 3.01 -1.23 -3.79 117.46 120.59 1y64 n PHE 352 Ca 0.00 0.07 0.00 0.00 1.01 0.00 0.00 57.45 58.53 1y64 n PHE 352 Cb 0.00 -0.47 0.00 0.00 -0.01 0.00 0.00 39.48 39.00 1y64 n PHE 352 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 1y64 n GLN 353 N -1.55 0.02 -0.10 -1.08 0.00 0.34 -1.39 117.38 113.62 1y64 n GLN 353 Ca -0.00 0.63 -0.01 0.00 -0.00 0.00 0.00 57.00 57.62 1y64 n GLN 353 Cb 0.17 -2.04 0.02 0.00 0.00 0.00 0.00 30.24 28.40 1y64 n GLN 353 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1y64 n GLN 354 N -1.89 1.18 -0.00 3.69 6.02 -1.25 -2.64 117.38 122.49 1y64 n GLN 354 Ca 0.00 -0.28 0.00 0.00 -0.01 0.00 0.00 57.00 56.72 1y64 n GLN 354 Cb 0.75 -1.24 0.00 0.00 1.02 0.00 0.00 30.24 30.77 1y64 n GLN 354 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 1y64 n MET 355 N 0.26 0.54 -1.60 -1.09 2.81 -0.48 -5.06 117.12 112.50 1y64 n MET 355 Ca 0.05 -0.91 -0.31 0.00 -1.81 0.00 0.00 57.70 54.72 1y64 n MET 355 Cb 0.53 -1.01 0.06 0.00 -0.71 0.00 0.00 33.22 32.08 1y64 n MET 355 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1y64 s TRP 356 N -0.40 3.07 -0.29 2.03 0.23 -1.08 -4.77 118.94 117.73 1y64 s TRP 356 Ca 0.01 1.31 0.01 0.00 -2.03 0.00 0.00 56.10 55.39 1y64 s TRP 356 Cb 0.01 -2.96 0.09 0.00 0.03 0.00 0.00 33.47 30.64 1y64 s TRP 356 CO 0.01 -1.36 0.04 0.42 0.96 0.00 0.00 176.95 177.01 1y64 s ILE 357 N -3.11 1.36 0.40 2.03 -1.09 -1.21 -4.96 121.20 114.63 1y64 s ILE 357 Ca 0.59 -1.51 -0.24 0.00 -2.23 0.00 0.00 60.65 57.26 1y64 s ILE 357 Cb -0.14 -1.89 -0.09 0.00 -1.58 0.00 0.00 42.46 38.76 1y64 s ILE 357 CO 0.55 -0.46 1.08 -0.89 -1.23 0.00 0.00 174.94 173.98 1y64 s THR 358 N 1.41 3.58 0.38 2.92 2.01 -1.26 -2.96 115.64 121.72 1y64 s THR 358 Ca 0.05 1.25 0.19 0.00 0.31 0.00 0.00 61.69 63.49 1y64 s THR 358 Cb -0.18 -3.66 0.39 0.00 0.01 0.00 0.00 72.50 69.06 1y64 s THR 358 CO -0.14 0.04 1.70 0.50 -0.69 0.00 0.00 174.62 176.03 1y64 h LYS 359 N 2.57 0.31 0.00 4.92 1.63 -0.61 -1.01 116.57 124.39 1y64 h LYS 359 Ca -0.48 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.30 1y64 h LYS 359 Cb 1.22 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.78 1y64 h LYS 359 CO 0.62 0.21 0.00 1.04 -3.45 0.00 0.00 179.45 177.87 1y64 n GLN 360 N -4.78 0.00 -0.24 1.90 3.00 -1.26 0.72 117.38 116.72 1y64 n GLN 360 Ca 0.30 0.30 0.15 0.00 -0.01 0.00 0.00 57.00 57.74 1y64 n GLN 360 Cb 1.03 -0.93 0.29 0.00 0.00 0.00 0.00 30.24 30.63 1y64 n GLN 360 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1y64 n GLU 361 N -0.73 -0.05 0.18 -1.09 1.02 -0.50 0.13 120.64 119.60 1y64 n GLU 361 Ca 0.00 1.02 -0.14 0.00 -0.02 0.00 0.00 57.16 58.01 1y64 n GLU 361 Cb 0.00 -1.70 -0.08 0.00 -0.02 0.00 0.00 31.44 29.64 1y64 n GLU 361 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 1y64 h TYR 362 N 0.00 -0.38 -0.86 -0.32 3.20 -0.13 -2.37 116.97 116.11 1y64 h TYR 362 Ca 0.50 -0.01 0.25 0.00 3.14 0.00 0.00 58.73 62.60 1y64 h TYR 362 Cb 1.16 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 39.52 1y64 h TYR 362 CO -0.21 -0.16 0.62 -0.44 -1.64 0.00 0.00 178.16 176.32 1y64 h ASP 363 N -0.51 0.02 0.11 -2.11 3.32 0.71 2.80 116.42 120.76 1y64 h ASP 363 Ca -0.04 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.78 1y64 h ASP 363 Cb 0.38 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1y64 h ASP 363 CO 0.07 0.01 -1.12 -0.33 -1.72 0.00 0.00 179.24 176.15 1y64 h GLU 364 N 0.02 0.23 0.00 3.56 3.07 -1.26 -3.42 114.58 116.78 1y64 h GLU 364 Ca 0.41 -0.39 -0.31 0.00 -0.50 0.00 0.00 59.36 58.57 1y64 h GLU 364 Cb 1.63 0.14 -0.06 0.00 -0.84 0.00 0.00 28.75 29.63 1y64 h GLU 364 CO -0.01 1.19 -2.17 0.00 -1.40 0.00 0.00 179.01 176.61 1y64 n ALA 365 N -2.88 1.56 0.00 3.43 0.00 -0.91 -5.12 120.51 116.59 1y64 n ALA 365 Ca -0.21 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.32 1y64 n ALA 365 Cb 0.83 0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.29 1y64 n ALA 365 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y64 n GLY 366 N 2.44 -1.18 0.00 0.00 0.00 0.93 -4.61 105.19 102.78 1y64 n GLY 366 Ca -0.35 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.16 1y64 n GLY 366 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1y64 n PRO 367 N 0.00 0.00 0.00 1.61 -0.02 -1.26 -1.58 135.00 133.74 1y64 n PRO 367 Ca 0.00 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1y64 n PRO 367 Cb 0.00 -0.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 1y64 n PRO 367 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1y64 n SER 368 N -1.89 0.00 -0.00 2.55 7.64 -1.26 -0.26 113.62 120.39 1y64 n SER 368 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 1y64 n SER 368 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 1y64 n SER 368 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1y64 n ILE 369 N -0.55 1.31 0.10 0.44 3.06 -0.62 -3.93 119.36 119.17 1y64 n ILE 369 Ca 0.00 -0.74 0.20 0.00 -2.50 0.00 0.00 62.75 59.71 1y64 n ILE 369 Cb 0.12 -0.79 0.75 0.00 0.54 0.00 0.00 39.64 40.26 1y64 n ILE 369 CO 0.00 0.00 0.00 1.62 -2.50 0.00 0.00 176.55 175.67 1y64 h VAL 370 N 0.00 0.48 0.25 9.51 3.04 -0.82 -3.02 116.25 125.69 1y64 h VAL 370 Ca -0.24 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.44 1y64 h VAL 370 Cb 1.78 0.71 0.00 0.00 -2.01 0.00 0.00 31.29 31.77 1y64 h VAL 370 CO 0.05 0.00 -0.12 0.45 -1.01 0.00 0.00 177.57 176.95 1y64 h HIS 371 N 0.00 -0.31 0.00 3.17 3.86 -1.77 -3.46 115.15 116.64 1y64 h HIS 371 Ca 0.18 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 1y64 h HIS 371 Cb 0.93 0.10 0.00 0.00 1.06 0.00 0.00 27.41 29.50 1y64 h HIS 371 CO 0.00 -0.19 0.00 0.54 0.86 0.00 0.00 177.93 179.14