#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ppk s ALA 2 N 0.00 3.05 0.23 0.00 0.00 -0.96 -4.82 121.76 119.26 1ppk s ALA 2 Ca 0.00 -1.37 -0.20 0.00 0.00 0.00 0.00 51.96 50.38 1ppk s ALA 2 Cb 0.00 -0.88 0.03 0.00 0.00 0.00 0.00 23.12 22.28 1ppk s ALA 2 CO 0.00 0.52 0.64 -1.54 0.00 0.00 0.00 175.76 175.37 1ppk s SER 3 N -2.72 -0.33 -0.06 0.00 1.04 -1.26 -1.44 113.70 108.92 1ppk s SER 3 Ca 0.25 -0.44 -0.31 0.00 0.48 0.00 0.00 55.95 55.93 1ppk s SER 3 Cb -0.10 0.66 0.12 0.00 0.10 0.00 0.00 66.02 66.80 1ppk s SER 3 CO 0.16 -1.18 1.16 -0.83 0.98 0.00 0.00 173.24 173.53 1ppk s GLY 4 N -2.87 -0.35 -0.09 7.32 0.00 -0.52 -4.69 107.32 106.12 1ppk s GLY 4 Ca 0.09 1.03 0.02 0.00 0.00 0.00 0.00 44.72 45.86 1ppk s GLY 4 CO -0.00 0.30 -0.15 0.14 0.00 0.00 0.00 173.10 173.39 1ppk s VAL 5 N -2.64 1.46 -0.06 1.40 1.01 -1.24 0.12 120.40 120.46 1ppk s VAL 5 Ca 0.11 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.47 1ppk s VAL 5 Cb 0.01 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 1ppk s VAL 5 CO -0.04 0.43 -0.13 0.00 0.00 0.00 0.00 175.10 175.36 1ppk s ALA 6 N 0.80 2.72 -0.07 5.51 0.00 -0.14 -4.48 121.76 126.09 1ppk s ALA 6 Ca -0.11 -0.95 -0.18 0.00 0.00 0.00 0.00 51.96 50.72 1ppk s ALA 6 Cb -0.16 -1.04 -0.05 0.00 0.00 0.00 0.00 23.12 21.88 1ppk s ALA 6 CO 0.02 0.53 0.49 0.99 0.00 0.00 0.00 175.76 177.79 1ppk s THR 7 N -0.63 5.10 0.22 0.00 2.01 -1.26 -0.87 115.64 120.22 1ppk s THR 7 Ca 0.09 1.01 0.05 0.00 0.31 0.00 0.00 61.69 63.15 1ppk s THR 7 Cb -0.11 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.54 1ppk s THR 7 CO 0.01 0.39 0.28 0.54 -0.69 0.00 0.00 174.62 175.15 1ppk s ASN 8 N 0.17 6.02 -0.02 3.53 2.20 -0.55 -4.45 114.94 121.84 1ppk s ASN 8 Ca 0.27 -0.03 0.00 0.00 -0.94 0.00 0.00 52.86 52.16 1ppk s ASN 8 Cb -0.16 -1.70 0.02 0.00 -2.00 0.00 0.00 41.25 37.42 1ppk s ASN 8 CO 0.12 -0.03 0.01 -0.89 -2.94 0.00 0.00 177.10 173.37 1ppk s THR 9 N -1.97 0.06 0.48 0.54 2.01 -0.25 -0.16 115.64 116.35 1ppk s THR 9 Ca 0.33 0.13 -0.21 0.00 0.31 0.00 0.00 61.69 62.25 1ppk s THR 9 Cb -0.09 -0.16 -0.08 0.00 0.01 0.00 0.00 72.50 72.18 1ppk s THR 9 CO 0.27 0.10 1.06 -2.16 -0.69 0.00 0.00 174.62 173.21 1ppk s PRO 10 N 0.90 3.78 0.24 4.92 0.04 -1.26 -1.36 135.00 142.25 1ppk s PRO 10 Ca -0.08 1.45 -0.02 0.00 0.04 0.00 0.00 61.00 62.39 1ppk s PRO 10 Cb -0.12 -2.16 0.05 0.00 0.04 0.00 0.00 34.50 32.31 1ppk s PRO 10 CO -0.02 -0.47 0.32 0.25 0.04 0.00 0.00 177.00 177.13 1ppk n THR 11 N -0.86 0.00 -1.64 1.26 -2.24 0.33 -4.84 114.28 106.29 1ppk n THR 11 Ca 0.09 -0.38 -0.47 0.00 -2.27 0.00 0.00 64.05 61.02 1ppk n THR 11 Cb 0.52 -1.49 -0.04 0.00 -2.10 0.00 0.00 70.33 67.22 1ppk n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ppk n ALA 12 N -3.08 0.57 -1.16 6.98 0.00 -1.26 0.08 120.51 122.64 1ppk n ALA 12 Ca -0.05 0.44 -0.05 0.00 0.00 0.00 0.00 53.44 53.77 1ppk n ALA 12 Cb 0.17 -2.22 -0.02 0.00 0.00 0.00 0.00 19.45 17.37 1ppk n ALA 12 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ppk n ASN 13 N 2.43 -5.72 -2.22 0.00 5.03 -1.26 -2.07 115.26 111.45 1ppk n ASN 13 Ca 0.14 0.13 -0.16 0.00 0.87 0.00 0.00 54.58 55.57 1ppk n ASN 13 Cb 0.28 -3.69 0.03 0.00 -1.02 0.00 0.00 39.78 35.38 1ppk n ASN 13 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1ppk n ASP 14 N -1.02 -4.80 -0.06 6.41 10.43 0.11 -4.89 116.55 122.74 1ppk n ASP 14 Ca -0.05 -0.22 -0.07 0.00 2.57 0.00 0.00 54.79 57.02 1ppk n ASP 14 Cb 0.52 -3.64 0.12 0.00 1.84 0.00 0.00 41.12 39.96 1ppk n ASP 14 CO 0.00 0.00 0.00 -0.08 -1.07 0.00 0.00 177.20 176.05 1ppk h GLU 15 N -1.06 0.69 -3.74 -1.24 4.81 -1.53 -3.46 114.58 109.04 1ppk h GLU 15 Ca -0.38 -0.28 -0.08 0.00 -0.13 0.00 0.00 59.36 58.50 1ppk h GLU 15 Cb 1.26 -0.03 -0.11 0.00 0.63 0.00 0.00 28.75 30.50 1ppk h GLU 15 CO 0.40 0.87 -0.20 -1.83 -0.73 0.00 0.00 179.01 177.52 1ppk s GLU 16 N -4.55 1.36 -0.12 1.92 -1.05 -1.26 -4.42 118.70 110.58 1ppk s GLU 16 Ca -0.09 -1.19 0.03 0.00 -0.15 0.00 0.00 54.97 53.57 1ppk s GLU 16 Cb 0.13 0.43 0.01 0.00 -0.44 0.00 0.00 34.13 34.26 1ppk s GLU 16 CO 0.82 -0.54 -0.20 0.71 0.95 0.00 0.00 175.26 177.00 1ppk s TYR 17 N -3.99 2.39 0.14 4.83 1.51 -1.26 -0.51 117.35 120.46 1ppk s TYR 17 Ca 0.20 -1.12 0.11 0.00 -1.01 0.00 0.00 57.07 55.24 1ppk s TYR 17 Cb 0.01 -1.64 -0.04 0.00 -0.11 0.00 0.00 41.96 40.18 1ppk s TYR 17 CO 0.04 -0.52 -0.25 0.96 -1.11 0.00 0.00 175.55 174.67 1ppk s ILE 18 N 0.75 2.19 -0.02 2.71 -0.00 -0.47 -3.95 121.20 122.42 1ppk s ILE 18 Ca -0.10 -1.79 -0.02 0.00 -0.00 0.00 0.00 60.65 58.75 1ppk s ILE 18 Cb -0.16 -1.96 0.01 0.00 -0.00 0.00 0.00 42.46 40.35 1ppk s ILE 18 CO 0.01 0.02 0.05 -0.89 -0.00 0.00 0.00 174.94 174.13 1ppk s THR 19 N -1.22 -0.01 0.35 8.37 2.01 -0.13 -1.09 115.64 123.92 1ppk s THR 19 Ca 0.14 0.04 -0.27 0.00 0.31 0.00 0.00 61.69 61.92 1ppk s THR 19 Cb -0.09 -0.09 -0.09 0.00 0.01 0.00 0.00 72.50 72.23 1ppk s THR 19 CO 0.06 0.02 1.12 -2.16 -0.69 0.00 0.00 174.62 172.97 1ppk s PRO 20 N 0.23 4.31 -0.01 4.92 0.04 -1.26 -0.50 135.00 142.73 1ppk s PRO 20 Ca -0.02 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1ppk s PRO 20 Cb -0.03 -2.84 0.01 0.00 0.04 0.00 0.00 34.50 31.69 1ppk s PRO 20 CO -0.01 -0.07 -0.00 0.08 0.04 0.00 0.00 177.00 177.04 1ppk s VAL 21 N -1.38 0.09 -0.21 -0.36 1.01 -0.13 -4.63 120.40 114.80 1ppk s VAL 21 Ca 0.52 0.05 -0.08 0.00 0.00 0.00 0.00 61.98 62.47 1ppk s VAL 21 Cb -0.29 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 1ppk s VAL 21 CO 0.37 0.08 0.08 -0.89 0.00 0.00 0.00 175.10 174.74 1ppk s THR 22 N 0.54 4.71 -0.20 3.92 2.01 -0.54 -0.51 115.64 125.56 1ppk s THR 22 Ca -0.05 -0.05 0.01 0.00 0.31 0.00 0.00 61.69 61.91 1ppk s THR 22 Cb -0.07 -3.16 0.04 0.00 0.01 0.00 0.00 72.50 69.32 1ppk s THR 22 CO -0.01 0.40 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.55 1ppk s ILE 23 N 0.90 1.87 -1.39 1.82 1.01 0.35 -0.33 121.20 125.42 1ppk s ILE 23 Ca 0.04 -1.08 -0.00 0.00 0.00 0.00 0.00 60.65 59.61 1ppk s ILE 23 Cb -0.14 -1.85 0.00 0.00 0.01 0.00 0.00 42.46 40.48 1ppk s ILE 23 CO 0.03 0.26 0.45 0.61 0.00 0.00 0.00 174.94 176.29 1ppk n GLY 24 N 4.62 -0.23 2.74 6.18 0.00 -0.35 -1.52 105.19 116.63 1ppk n GLY 24 Ca -0.17 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1ppk n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ppk n GLY 25 N -1.93 3.09 3.77 -0.02 0.00 -1.26 -4.88 105.19 103.95 1ppk n GLY 25 Ca -0.31 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 1ppk n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ppk s THR 26 N -1.67 5.34 -0.16 2.61 2.01 -0.58 -5.08 115.64 118.11 1ppk s THR 26 Ca 0.00 0.16 -0.10 0.00 0.31 0.00 0.00 61.69 62.06 1ppk s THR 26 Cb 0.00 -3.39 -0.05 0.00 0.01 0.00 0.00 72.50 69.08 1ppk s THR 26 CO 0.00 0.51 0.18 -0.89 -0.69 0.00 0.00 174.62 173.73 1ppk s THR 27 N -0.19 5.40 0.22 -0.82 2.01 -1.26 -0.50 115.64 120.50 1ppk s THR 27 Ca 0.10 0.30 0.11 0.00 0.31 0.00 0.00 61.69 62.51 1ppk s THR 27 Cb -0.12 -3.49 -0.05 0.00 0.01 0.00 0.00 72.50 68.86 1ppk s THR 27 CO 0.01 0.49 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.46 1ppk s LEU 28 N -0.12 2.55 -0.42 4.42 1.02 0.34 -4.93 118.68 121.54 1ppk s LEU 28 Ca 0.13 -0.87 -0.15 0.00 0.02 0.00 0.00 54.13 53.25 1ppk s LEU 28 Cb -0.12 -1.22 0.02 0.00 0.02 0.00 0.00 46.19 44.90 1ppk s LEU 28 CO 0.02 0.10 0.32 0.20 0.02 0.00 0.00 176.35 177.00 1ppk s ASN 29 N -2.93 6.12 0.26 2.29 0.01 -1.26 -0.95 114.94 118.48 1ppk s ASN 29 Ca 0.24 -0.92 0.09 0.00 -0.71 0.00 0.00 52.86 51.56 1ppk s ASN 29 Cb -0.07 -2.17 -0.04 0.00 0.41 0.00 0.00 41.25 39.38 1ppk s ASN 29 CO 0.12 -0.48 0.06 -0.76 -1.51 0.00 0.00 177.10 174.53 1ppk s LEU 30 N 1.72 3.37 -0.34 0.60 1.43 0.35 0.18 118.68 125.98 1ppk s LEU 30 Ca 0.06 -0.54 -0.16 0.00 -1.03 0.00 0.00 54.13 52.45 1ppk s LEU 30 Cb -0.19 -1.89 -0.01 0.00 0.03 0.00 0.00 46.19 44.13 1ppk s LEU 30 CO 0.10 -0.02 0.43 0.21 0.23 0.00 0.00 176.35 177.30 1ppk s ASN 31 N -3.73 6.24 -0.15 2.29 3.04 -0.27 -0.95 114.94 121.41 1ppk s ASN 31 Ca 0.32 -0.14 -0.27 0.00 0.04 0.00 0.00 52.86 52.81 1ppk s ASN 31 Cb -0.07 -2.23 -0.01 0.00 -1.54 0.00 0.00 41.25 37.41 1ppk s ASN 31 CO 0.21 -0.40 0.93 -0.36 -3.04 0.00 0.00 177.10 174.45 1ppk s PHE 32 N 2.18 3.44 -0.24 0.43 0.40 -1.25 -1.75 117.98 121.19 1ppk s PHE 32 Ca 0.15 1.42 0.01 0.00 -0.60 0.00 0.00 56.93 57.90 1ppk s PHE 32 Cb -0.16 -3.12 0.06 0.00 0.51 0.00 0.00 43.02 40.31 1ppk s PHE 32 CO 0.12 -0.27 -0.05 0.34 0.70 0.00 0.00 175.22 176.06 1ppk s ASP 33 N 1.14 3.90 0.00 1.36 3.68 0.07 -4.25 116.67 122.57 1ppk s ASP 33 Ca 0.43 -1.21 0.19 0.00 2.13 0.00 0.00 52.55 54.09 1ppk s ASP 33 Cb -0.17 -1.20 1.12 0.00 -1.45 0.00 0.00 42.92 41.21 1ppk s ASP 33 CO 0.14 -0.24 1.66 0.35 0.13 0.00 0.00 175.17 177.21 1ppk n THR 34 N 4.65 0.00 1.06 1.71 -2.24 -1.26 -0.87 114.28 117.34 1ppk n THR 34 Ca -0.12 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.78 1ppk n THR 34 Cb 0.44 -0.36 0.09 0.00 -2.10 0.00 0.00 70.33 68.40 1ppk n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ppk n GLY 35 N 0.68 -0.04 3.25 3.38 0.00 -1.26 -3.44 105.19 107.77 1ppk n GLY 35 Ca 0.14 -0.59 -0.11 0.00 0.00 0.00 0.00 46.02 45.46 1ppk n GLY 35 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ppk s SER 36 N -2.44 0.15 -0.15 1.61 1.04 -1.12 -4.88 113.70 107.90 1ppk s SER 36 Ca 0.21 -1.22 0.16 0.00 0.48 0.00 0.00 55.95 55.57 1ppk s SER 36 Cb 0.18 0.39 0.33 0.00 0.10 0.00 0.00 66.02 67.03 1ppk s SER 36 CO 0.54 -0.85 1.17 0.00 0.98 0.00 0.00 173.24 175.08 1ppk n ALA 37 N -0.23 2.77 -2.71 5.32 0.00 -1.26 -1.18 120.51 123.22 1ppk n ALA 37 Ca -0.02 -2.82 -0.34 0.00 0.00 0.00 0.00 53.44 50.26 1ppk n ALA 37 Cb 0.64 -0.38 -0.11 0.00 0.00 0.00 0.00 19.45 19.61 1ppk n ALA 37 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ppk s ASP 38 N -2.93 4.91 -0.49 0.00 -0.00 -1.26 -4.53 116.67 112.37 1ppk s ASP 38 Ca 0.33 0.01 -0.12 0.00 -0.00 0.00 0.00 52.55 52.78 1ppk s ASP 38 Cb 0.31 -1.44 0.12 0.00 -0.00 0.00 0.00 42.92 41.90 1ppk s ASP 38 CO -0.01 0.32 0.38 -0.22 -0.00 0.00 0.00 175.17 175.64 1ppk s LEU 39 N -0.54 5.78 0.08 1.23 0.20 -1.26 -1.72 118.68 122.46 1ppk s LEU 39 Ca 0.08 -1.80 0.08 0.00 0.69 0.00 0.00 54.13 53.18 1ppk s LEU 39 Cb -0.12 -2.08 -0.03 0.00 -0.43 0.00 0.00 46.19 43.53 1ppk s LEU 39 CO 0.02 -0.72 -0.21 -1.66 -0.29 0.00 0.00 176.35 173.49 1ppk s TRP 40 N 1.45 1.80 0.08 5.38 1.48 -0.50 -0.91 118.94 127.73 1ppk s TRP 40 Ca 0.05 -0.40 0.03 0.00 -1.06 0.00 0.00 56.10 54.71 1ppk s TRP 40 Cb -0.27 -1.02 -0.03 0.00 -1.16 0.00 0.00 33.47 30.99 1ppk s TRP 40 CO 0.01 0.16 -0.08 0.14 -4.06 0.00 0.00 176.95 173.12 1ppk s VAL 41 N -1.01 0.72 0.50 -0.66 -7.23 -0.21 -1.19 120.40 111.31 1ppk s VAL 41 Ca 0.07 -1.52 -0.23 0.00 -1.81 0.00 0.00 61.98 58.48 1ppk s VAL 41 Cb -0.10 -1.18 -0.06 0.00 0.56 0.00 0.00 36.38 35.60 1ppk s VAL 41 CO 0.03 -0.59 1.35 -0.36 -0.31 0.00 0.00 175.10 175.23 1ppk s PHE 42 N -2.40 2.45 0.33 2.82 0.40 -0.32 -0.73 117.98 120.53 1ppk s PHE 42 Ca 0.02 1.36 0.02 0.00 -0.60 0.00 0.00 56.93 57.73 1ppk s PHE 42 Cb -0.03 -3.78 -0.01 0.00 0.51 0.00 0.00 43.02 39.71 1ppk s PHE 42 CO -0.01 -2.68 0.37 -1.54 0.70 0.00 0.00 175.22 172.05 1ppk s SER 43 N -0.85 1.16 0.00 1.36 1.04 -1.26 -1.36 113.70 113.79 1ppk s SER 43 Ca 0.66 -1.58 0.28 0.00 0.48 0.00 0.00 55.95 55.79 1ppk s SER 43 Cb -0.40 0.60 1.67 0.00 0.10 0.00 0.00 66.02 67.99 1ppk s SER 43 CO 0.49 -1.16 2.02 0.35 0.98 0.00 0.00 173.24 175.91 1ppk n THR 44 N -0.56 0.00 1.26 2.02 -2.24 -0.37 -2.47 114.28 111.92 1ppk n THR 44 Ca 0.04 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.95 1ppk n THR 44 Cb 0.62 -0.55 0.50 0.00 -2.10 0.00 0.00 70.33 68.80 1ppk n THR 44 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ppk n GLU 45 N -0.99 0.56 -2.27 -0.78 1.02 -1.26 -4.84 120.64 112.08 1ppk n GLU 45 Ca 0.21 -0.24 -0.31 0.00 -0.02 0.00 0.00 57.16 56.79 1ppk n GLU 45 Cb 0.10 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.00 1ppk n GLU 45 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ppk s LEU 46 N -2.61 3.51 0.27 -4.62 1.43 -1.03 -4.76 118.68 110.87 1ppk s LEU 46 Ca 0.24 1.46 -0.29 0.00 -1.03 0.00 0.00 54.13 54.51 1ppk s LEU 46 Cb 0.19 -4.43 -0.14 0.00 0.03 0.00 0.00 46.19 41.84 1ppk s LEU 46 CO 0.53 -0.67 1.11 -2.65 0.23 0.00 0.00 176.35 174.91 1ppk n PRO 47 N -1.97 1.50 -0.30 1.29 -0.02 -1.26 -4.82 135.00 129.42 1ppk n PRO 47 Ca 0.06 0.53 0.19 0.00 -2.02 0.00 0.00 63.50 62.26 1ppk n PRO 47 Cb 0.54 -1.98 0.47 0.00 -0.02 0.00 0.00 33.50 32.51 1ppk n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ppk h ALA 48 N 2.53 2.10 0.00 3.55 0.00 -1.95 -0.52 119.26 124.97 1ppk h ALA 48 Ca -0.42 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1ppk h ALA 48 Cb 1.33 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1ppk h ALA 48 CO 0.64 -0.45 -0.03 0.66 0.00 0.00 0.00 179.25 180.07 1ppk h SER 49 N 0.48 0.00 0.59 0.00 4.64 -1.99 -2.23 113.55 115.04 1ppk h SER 49 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 1ppk h SER 49 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1ppk h SER 49 CO -0.27 0.03 -0.82 0.00 -0.87 0.00 0.00 176.83 174.90 1ppk n GLN 50 N -3.16 0.25 0.02 4.77 6.02 -0.22 -3.57 117.38 121.51 1ppk n GLN 50 Ca -0.00 0.03 0.13 0.00 -0.01 0.00 0.00 57.00 57.15 1ppk n GLN 50 Cb 0.27 -1.62 0.54 0.00 1.02 0.00 0.00 30.24 30.46 1ppk n GLN 50 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1ppk n GLN 51 N -1.96 0.06 -1.99 -1.09 6.02 -0.84 -4.87 117.38 112.69 1ppk n GLN 51 Ca 0.03 0.08 -0.42 0.00 -0.01 0.00 0.00 57.00 56.68 1ppk n GLN 51 Cb 0.43 -1.57 -0.03 0.00 1.02 0.00 0.00 30.24 30.09 1ppk n GLN 51 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1ppk s SER 52 N -3.33 6.66 0.00 1.08 0.01 -1.20 -2.14 113.70 114.77 1ppk s SER 52 Ca 0.12 2.46 0.00 0.00 1.31 0.00 0.00 55.95 59.84 1ppk s SER 52 Cb 0.16 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.82 1ppk s SER 52 CO 0.51 -0.82 0.00 0.61 0.41 0.00 0.00 173.24 173.95 1ppk n GLY 53 N 3.82 0.52 3.24 3.44 0.00 -1.26 -5.04 105.19 109.91 1ppk n GLY 53 Ca 0.14 -0.62 -0.14 0.00 0.00 0.00 0.00 46.02 45.41 1ppk n GLY 53 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ppk s HIS 54 N -2.00 1.21 -0.13 1.61 4.02 -0.91 -4.86 115.29 114.23 1ppk s HIS 54 Ca 0.00 -0.88 -0.15 0.00 1.02 0.00 0.00 55.06 55.04 1ppk s HIS 54 Cb 0.00 -0.67 -0.05 0.00 -1.02 0.00 0.00 32.58 30.85 1ppk s HIS 54 CO 0.00 -0.06 0.37 -1.12 1.02 0.00 0.00 174.74 174.95 1ppk s SER 55 N -3.16 6.55 0.14 1.40 0.01 -1.26 -5.05 113.70 112.33 1ppk s SER 55 Ca 0.19 0.65 0.10 0.00 1.31 0.00 0.00 55.95 58.20 1ppk s SER 55 Cb 0.04 -2.22 -0.04 0.00 0.21 0.00 0.00 66.02 64.01 1ppk s SER 55 CO 0.01 0.08 -0.23 0.68 0.41 0.00 0.00 173.24 174.19 1ppk s VAL 56 N 0.41 2.06 0.11 3.43 -7.23 -1.26 -4.72 120.40 113.20 1ppk s VAL 56 Ca 0.21 -1.80 -0.16 0.00 -1.81 0.00 0.00 61.98 58.42 1ppk s VAL 56 Cb -0.14 -1.89 -0.07 0.00 0.56 0.00 0.00 36.38 34.85 1ppk s VAL 56 CO 0.07 -0.07 0.53 -0.47 -0.31 0.00 0.00 175.10 174.85 1ppk s TYR 57 N -1.41 3.68 -0.32 2.82 6.04 -0.46 -4.89 117.35 122.80 1ppk s TYR 57 Ca 0.14 1.10 0.03 0.00 0.04 0.00 0.00 57.07 58.38 1ppk s TYR 57 Cb -0.09 -2.39 0.09 0.00 -1.04 0.00 0.00 41.96 38.53 1ppk s TYR 57 CO 0.07 0.50 0.02 1.21 -1.54 0.00 0.00 175.55 175.80 1ppk s ASN 58 N -1.48 4.72 0.44 4.32 2.47 -1.26 -1.24 114.94 122.92 1ppk s ASN 58 Ca 0.34 -1.93 0.12 0.00 0.42 0.00 0.00 52.86 51.80 1ppk s ASN 58 Cb -0.16 -1.63 1.02 0.00 -1.45 0.00 0.00 41.25 39.03 1ppk s ASN 58 CO 0.18 -0.34 2.04 -0.65 -3.72 0.00 0.00 177.10 174.61 1ppk h PRO 59 N 7.69 0.37 0.00 0.43 0.11 -1.96 -2.52 132.00 136.12 1ppk h PRO 59 Ca -0.09 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.96 1ppk h PRO 59 Cb 1.03 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1ppk h PRO 59 CO 0.52 0.24 -0.17 0.66 -0.21 0.00 0.00 178.00 179.04 1ppk h SER 60 N 0.38 0.00 -0.12 -2.05 4.64 -1.94 0.35 113.55 114.81 1ppk h SER 60 Ca 0.19 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.48 1ppk h SER 60 Cb 0.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1ppk h SER 60 CO -0.04 0.17 -0.02 0.00 -0.87 0.00 0.00 176.83 176.07 1ppk h ALA 61 N 1.83 0.17 0.00 5.18 0.00 -1.89 -3.42 119.26 121.13 1ppk h ALA 61 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1ppk h ALA 61 Cb 0.60 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1ppk h ALA 61 CO 0.02 -0.11 0.00 0.25 0.00 0.00 0.00 179.25 179.41 1ppk n THR 62 N -4.76 0.00 -2.58 0.00 -2.24 -1.16 -5.12 114.28 98.42 1ppk n THR 62 Ca -0.06 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.45 1ppk n THR 62 Cb 0.23 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 1ppk n THR 62 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ppk s GLY 63 N 0.00 1.52 -0.30 3.38 0.00 0.12 -4.85 107.32 107.20 1ppk s GLY 63 Ca 0.00 -0.53 -0.08 0.00 0.00 0.00 0.00 44.72 44.11 1ppk s GLY 63 CO 0.00 -0.35 0.11 0.54 0.00 0.00 0.00 173.10 173.40 1ppk s LYS 64 N -4.79 3.25 0.46 2.90 -0.14 -0.13 -4.78 119.74 116.50 1ppk s LYS 64 Ca 0.49 -0.76 -0.23 0.00 -1.36 0.00 0.00 55.97 54.10 1ppk s LYS 64 Cb -0.10 -3.45 -0.07 0.00 -1.68 0.00 0.00 37.83 32.52 1ppk s LYS 64 CO 0.45 -0.41 1.22 -2.00 -0.76 0.00 0.00 175.35 173.85 1ppk s GLU 65 N 1.56 3.72 -0.57 1.68 2.12 -1.26 -0.70 118.70 125.25 1ppk s GLU 65 Ca 0.04 1.92 -0.14 0.00 0.36 0.00 0.00 54.97 57.15 1ppk s GLU 65 Cb -0.17 -2.47 0.14 0.00 0.26 0.00 0.00 34.13 31.90 1ppk s GLU 65 CO 0.04 -0.63 0.51 -0.51 -0.54 0.00 0.00 175.26 174.13 1ppk s LEU 66 N -2.96 6.16 0.28 2.70 1.43 0.09 -4.91 118.68 121.46 1ppk s LEU 66 Ca 0.63 -1.96 -0.30 0.00 -1.03 0.00 0.00 54.13 51.46 1ppk s LEU 66 Cb -0.32 -2.16 -0.12 0.00 0.03 0.00 0.00 46.19 43.61 1ppk s LEU 66 CO 0.40 -0.78 1.50 -0.24 0.23 0.00 0.00 176.35 177.46 1ppk n SER 67 N 4.97 3.34 0.00 2.29 2.88 -1.26 -1.75 113.62 124.09 1ppk n SER 67 Ca -0.08 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.61 1ppk n SER 67 Cb 0.41 -1.52 0.00 0.00 -0.75 0.00 0.00 64.21 62.35 1ppk n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ppk n GLY 68 N 2.00 0.99 3.86 0.46 0.00 -1.26 -5.03 105.19 106.21 1ppk n GLY 68 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 1ppk n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ppk s TYR 69 N -3.86 3.65 0.21 1.61 1.51 -0.72 -4.59 117.35 115.16 1ppk s TYR 69 Ca 0.00 0.79 -0.00 0.00 -1.01 0.00 0.00 57.07 56.85 1ppk s TYR 69 Cb 0.00 -2.14 -0.04 0.00 -0.11 0.00 0.00 41.96 39.66 1ppk s TYR 69 CO 0.00 0.64 0.10 0.95 -1.11 0.00 0.00 175.55 176.13 1ppk s THR 70 N -1.16 0.24 0.05 -0.71 -4.23 -0.49 -3.84 115.64 105.50 1ppk s THR 70 Ca 0.24 -1.99 -0.12 0.00 -1.18 0.00 0.00 61.69 58.65 1ppk s THR 70 Cb -0.15 -2.45 0.01 0.00 1.34 0.00 0.00 72.50 71.26 1ppk s THR 70 CO 0.13 -0.10 0.25 -1.66 -0.54 0.00 0.00 174.62 172.69 1ppk s TRP 71 N -3.98 -0.02 -0.28 3.99 1.48 -0.63 -0.31 118.94 119.19 1ppk s TRP 71 Ca 0.35 -0.19 -0.12 0.00 -1.06 0.00 0.00 56.10 55.09 1ppk s TRP 71 Cb 0.07 0.04 0.11 0.00 -1.16 0.00 0.00 33.47 32.52 1ppk s TRP 71 CO 0.10 -0.48 0.64 0.45 -4.06 0.00 0.00 176.95 173.60 1ppk s SER 72 N -2.18 -1.00 0.03 -2.66 0.15 -1.26 -1.64 113.70 105.15 1ppk s SER 72 Ca -0.04 1.50 0.03 0.00 0.70 0.00 0.00 55.95 58.14 1ppk s SER 72 Cb -0.00 1.86 -0.02 0.00 -1.71 0.00 0.00 66.02 66.15 1ppk s SER 72 CO -0.05 -0.23 -0.10 -0.51 1.20 0.00 0.00 173.24 173.56 1ppk s ILE 73 N 2.37 0.76 -0.02 6.45 2.07 0.76 -4.88 121.20 128.71 1ppk s ILE 73 Ca -0.07 -0.86 0.03 0.00 -1.41 0.00 0.00 60.65 58.34 1ppk s ILE 73 Cb -0.09 -0.73 -0.00 0.00 0.13 0.00 0.00 42.46 41.76 1ppk s ILE 73 CO -0.19 -0.11 -0.12 -0.94 -1.91 0.00 0.00 174.94 171.67 1ppk s SER 74 N -1.08 1.55 0.48 4.50 1.04 -1.26 -1.41 113.70 117.51 1ppk s SER 74 Ca -0.02 -0.24 0.08 0.00 0.48 0.00 0.00 55.95 56.24 1ppk s SER 74 Cb -0.07 -0.32 0.02 0.00 0.10 0.00 0.00 66.02 65.74 1ppk s SER 74 CO 0.01 0.12 0.51 -0.31 0.98 0.00 0.00 173.24 174.55 1ppk s TYR 75 N -0.04 2.21 0.51 5.02 1.51 0.52 -5.01 117.35 122.08 1ppk s TYR 75 Ca -0.00 -0.60 0.19 0.00 -1.01 0.00 0.00 57.07 55.65 1ppk s TYR 75 Cb -0.08 -2.17 1.30 0.00 -0.11 0.00 0.00 41.96 40.91 1ppk s TYR 75 CO 0.00 -0.48 2.12 0.78 -1.11 0.00 0.00 175.55 176.86 1ppk h GLY 76 N 0.71 0.00 -1.43 0.71 0.00 -2.01 -0.23 103.07 100.81 1ppk h GLY 76 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1ppk h GLY 76 CO 0.51 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.14 1ppk n ASP 77 N -4.31 2.09 0.00 0.19 3.85 -1.26 -4.92 116.55 112.20 1ppk n ASP 77 Ca -0.03 -2.05 0.00 0.00 -0.71 0.00 0.00 54.79 52.00 1ppk n ASP 77 Cb 0.14 -0.28 0.00 0.00 -1.35 0.00 0.00 41.12 39.63 1ppk n ASP 77 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1ppk n GLY 78 N 0.99 1.00 3.82 6.12 0.00 -0.10 -5.06 105.19 111.96 1ppk n GLY 78 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1ppk n GLY 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ppk s SER 79 N -3.04 5.29 0.21 1.61 1.04 -1.26 -4.78 113.70 112.78 1ppk s SER 79 Ca 0.00 1.53 -0.21 0.00 0.48 0.00 0.00 55.95 57.75 1ppk s SER 79 Cb 0.00 -2.39 0.04 0.00 0.10 0.00 0.00 66.02 63.77 1ppk s SER 79 CO 0.00 -1.49 0.62 -0.94 0.98 0.00 0.00 173.24 172.41 1ppk s SER 80 N -3.87 -0.38 0.07 7.02 1.04 -1.26 -0.35 113.70 115.97 1ppk s SER 80 Ca 0.58 -0.33 -0.24 0.00 0.48 0.00 0.00 55.95 56.44 1ppk s SER 80 Cb -0.14 0.64 0.06 0.00 0.10 0.00 0.00 66.02 66.68 1ppk s SER 80 CO 0.55 -1.12 0.56 0.00 0.98 0.00 0.00 173.24 174.21 1ppk s ALA 81 N -3.84 -1.46 0.22 5.32 0.00 -0.50 -1.46 121.76 120.04 1ppk s ALA 81 Ca 0.07 0.65 -0.15 0.00 0.00 0.00 0.00 51.96 52.53 1ppk s ALA 81 Cb -0.03 0.48 0.01 0.00 0.00 0.00 0.00 23.12 23.58 1ppk s ALA 81 CO -0.04 -0.57 0.49 -1.54 0.00 0.00 0.00 175.76 174.11 1ppk s SER 82 N -2.11 -0.15 0.00 0.00 1.04 -0.39 -0.17 113.70 111.92 1ppk s SER 82 Ca -0.04 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 55.67 1ppk s SER 82 Cb -0.00 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.69 1ppk s SER 82 CO -0.04 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 173.70 1ppk n GLY 83 N -0.35 -0.63 3.38 7.32 0.00 -0.65 -0.17 105.19 114.08 1ppk n GLY 83 Ca -0.06 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 1ppk n GLY 83 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ppk n ASN 84 N 0.00 3.01 -3.98 1.61 6.94 -0.99 -1.61 115.26 120.25 1ppk n ASN 84 Ca 0.00 -3.09 -0.17 0.00 -0.02 0.00 0.00 54.58 51.31 1ppk n ASN 84 Cb 0.00 0.43 -0.15 0.00 -2.36 0.00 0.00 39.78 37.70 1ppk n ASN 84 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1ppk s VAL 85 N -2.76 0.50 0.19 3.53 1.01 -1.25 -1.13 120.40 120.48 1ppk s VAL 85 Ca 0.03 -0.27 0.06 0.00 0.00 0.00 0.00 61.98 61.80 1ppk s VAL 85 Cb 0.00 -0.43 -0.05 0.00 0.00 0.00 0.00 36.38 35.91 1ppk s VAL 85 CO 0.02 0.14 -0.11 -0.36 0.00 0.00 0.00 175.10 174.80 1ppk s PHE 86 N -0.13 1.51 -0.02 5.22 0.40 -0.76 -0.73 117.98 123.46 1ppk s PHE 86 Ca 0.02 -0.70 0.04 0.00 -0.60 0.00 0.00 56.93 55.69 1ppk s PHE 86 Cb -0.03 -0.76 -0.03 0.00 0.51 0.00 0.00 43.02 42.72 1ppk s PHE 86 CO -0.00 0.19 -0.13 0.95 0.70 0.00 0.00 175.22 176.92 1ppk s THR 87 N -3.18 3.14 0.31 0.64 -4.23 0.13 0.83 115.64 113.27 1ppk s THR 87 Ca 0.21 -0.81 -0.06 0.00 -1.18 0.00 0.00 61.69 59.85 1ppk s THR 87 Cb 0.02 -2.27 0.02 0.00 1.34 0.00 0.00 72.50 71.61 1ppk s THR 87 CO 0.04 0.51 0.51 -0.67 -0.54 0.00 0.00 174.62 174.48 1ppk n ASP 88 N 2.03 -1.46 -4.73 3.99 4.64 -0.15 -0.96 116.55 119.91 1ppk n ASP 88 Ca -0.17 -2.49 -0.39 0.00 -1.38 0.00 0.00 54.79 50.37 1ppk n ASP 88 Cb 0.52 2.57 -0.05 0.00 -1.04 0.00 0.00 41.12 43.11 1ppk n ASP 88 CO 0.00 0.00 0.00 -0.44 -0.82 0.00 0.00 177.20 175.94 1ppk s SER 89 N -2.79 6.86 -0.08 1.67 0.01 -1.26 -1.44 113.70 116.67 1ppk s SER 89 Ca 0.20 1.02 0.02 0.00 1.31 0.00 0.00 55.95 58.50 1ppk s SER 89 Cb -0.02 -2.35 0.02 0.00 0.21 0.00 0.00 66.02 63.88 1ppk s SER 89 CO 0.14 -0.01 -0.12 -0.69 0.41 0.00 0.00 173.24 172.98 1ppk s VAL 90 N 0.45 1.16 -0.10 3.43 1.01 0.11 -1.21 120.40 125.25 1ppk s VAL 90 Ca 0.31 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.86 1ppk s VAL 90 Cb -0.17 -1.08 0.00 0.00 0.00 0.00 0.00 36.38 35.14 1ppk s VAL 90 CO 0.15 0.37 -0.21 -0.89 0.00 0.00 0.00 175.10 174.51 1ppk s THR 91 N 0.90 1.85 -0.17 3.92 2.01 0.55 -0.30 115.64 124.39 1ppk s THR 91 Ca -0.10 -0.89 -0.01 0.00 0.31 0.00 0.00 61.69 61.01 1ppk s THR 91 Cb -0.15 -1.62 0.04 0.00 0.01 0.00 0.00 72.50 70.79 1ppk s THR 91 CO 0.01 0.51 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.72 1ppk s VAL 92 N 0.49 1.09 -1.47 3.82 1.01 0.05 -1.47 120.40 123.93 1ppk s VAL 92 Ca -0.16 -0.68 -0.08 0.00 0.00 0.00 0.00 61.98 61.06 1ppk s VAL 92 Cb -0.17 -1.31 0.05 0.00 0.00 0.00 0.00 36.38 34.96 1ppk s VAL 92 CO 0.06 0.08 0.75 0.61 0.00 0.00 0.00 175.10 176.60 1ppk n GLY 93 N 4.87 -0.37 3.03 4.51 0.00 -1.26 -0.47 105.19 115.50 1ppk n GLY 93 Ca -0.12 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1ppk n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ppk n GLY 94 N -1.68 0.65 3.67 -0.02 0.00 -1.26 -3.59 105.19 102.95 1ppk n GLY 94 Ca -0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 1ppk n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ppk s VAL 95 N -2.86 5.31 -0.16 1.61 1.01 0.39 -4.98 120.40 120.71 1ppk s VAL 95 Ca 0.00 0.34 -0.04 0.00 0.00 0.00 0.00 61.98 62.28 1ppk s VAL 95 Cb 0.00 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 1ppk s VAL 95 CO 0.00 0.32 -0.03 -0.89 0.00 0.00 0.00 175.10 174.50 1ppk s THR 96 N 1.10 3.95 -0.36 3.92 2.01 -1.26 -0.77 115.64 124.24 1ppk s THR 96 Ca 0.11 -0.33 -0.13 0.00 0.31 0.00 0.00 61.69 61.64 1ppk s THR 96 Cb -0.14 -2.74 -0.01 0.00 0.01 0.00 0.00 72.50 69.62 1ppk s THR 96 CO 0.05 0.49 0.26 0.00 -0.69 0.00 0.00 174.62 174.72 1ppk s ALA 97 N 0.40 3.50 0.04 7.40 0.00 0.59 -4.95 121.76 128.74 1ppk s ALA 97 Ca -0.03 -1.46 -0.19 0.00 0.00 0.00 0.00 51.96 50.28 1ppk s ALA 97 Cb -0.14 -2.72 -0.06 0.00 0.00 0.00 0.00 23.12 20.20 1ppk s ALA 97 CO 0.03 -1.08 0.55 -1.01 0.00 0.00 0.00 175.76 174.24 1ppk s HIS 98 N 1.72 3.75 -0.86 0.00 0.09 -1.26 -0.71 115.29 118.01 1ppk s HIS 98 Ca 0.06 1.20 0.00 0.00 -0.00 0.00 0.00 55.06 56.32 1ppk s HIS 98 Cb -0.18 -2.50 0.00 0.00 -0.00 0.00 0.00 32.58 29.90 1ppk s HIS 98 CO 0.10 0.52 0.00 0.41 -0.00 0.00 0.00 174.74 175.77 1ppk n GLY 99 N 1.99 0.49 3.75 -2.22 0.00 -1.03 -4.99 105.19 103.19 1ppk n GLY 99 Ca -0.10 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 1ppk n GLY 99 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ppk s GLN 100 N -3.68 4.54 -0.12 1.61 2.00 -0.52 -4.65 119.66 118.85 1ppk s GLN 100 Ca 0.00 1.90 -0.29 0.00 -2.00 0.00 0.00 55.36 54.96 1ppk s GLN 100 Cb 0.00 -3.19 -0.03 0.00 0.80 0.00 0.00 33.01 30.60 1ppk s GLN 100 CO 0.00 0.05 1.35 0.00 -0.50 0.00 0.00 175.29 176.18 1ppk s ALA 101 N -0.78 3.63 -0.17 1.58 0.00 -1.26 -0.98 121.76 123.77 1ppk s ALA 101 Ca 0.48 0.60 -0.03 0.00 0.00 0.00 0.00 51.96 53.01 1ppk s ALA 101 Cb -0.33 -3.63 -0.02 0.00 0.00 0.00 0.00 23.12 19.13 1ppk s ALA 101 CO 0.41 -1.16 -0.06 0.08 0.00 0.00 0.00 175.76 175.04 1ppk s VAL 102 N 3.39 3.52 -0.49 0.00 1.01 0.24 -4.73 120.40 123.33 1ppk s VAL 102 Ca 0.59 -0.47 -0.19 0.00 0.00 0.00 0.00 61.98 61.91 1ppk s VAL 102 Cb -0.25 -2.55 0.06 0.00 0.00 0.00 0.00 36.38 33.64 1ppk s VAL 102 CO 0.19 0.47 0.59 -1.10 0.00 0.00 0.00 175.10 175.26 1ppk s GLN 103 N 0.75 3.11 -0.18 2.72 -0.21 -0.08 -1.83 119.66 123.94 1ppk s GLN 103 Ca -0.03 -0.90 -0.27 0.00 0.02 0.00 0.00 55.36 54.18 1ppk s GLN 103 Cb -0.15 -4.09 -0.01 0.00 1.00 0.00 0.00 33.01 29.77 1ppk s GLN 103 CO 0.02 -1.17 0.92 0.00 -2.12 0.00 0.00 175.29 172.95 1ppk s ALA 104 N 2.51 3.55 0.27 6.09 0.00 -0.29 -1.04 121.76 132.84 1ppk s ALA 104 Ca 0.14 0.13 -0.29 0.00 0.00 0.00 0.00 51.96 51.94 1ppk s ALA 104 Cb -0.19 -3.36 -0.09 0.00 0.00 0.00 0.00 23.12 19.47 1ppk s ALA 104 CO 0.12 -0.77 1.19 0.00 0.00 0.00 0.00 175.76 176.29 1ppk s ALA 105 N 2.46 3.45 -0.04 0.00 0.00 0.10 -2.33 121.76 125.39 1ppk s ALA 105 Ca 0.42 1.02 0.07 0.00 0.00 0.00 0.00 51.96 53.46 1ppk s ALA 105 Cb -0.16 -3.40 -0.10 0.00 0.00 0.00 0.00 23.12 19.46 1ppk s ALA 105 CO 0.11 -0.36 0.10 1.04 0.00 0.00 0.00 175.76 176.65 1ppk n GLN 106 N 1.49 1.55 -3.85 0.00 6.02 0.76 -3.90 117.38 119.45 1ppk n GLN 106 Ca 0.01 -0.04 -0.12 0.00 -0.01 0.00 0.00 57.00 56.84 1ppk n GLN 106 Cb 0.44 -1.18 -0.12 0.00 1.02 0.00 0.00 30.24 30.39 1ppk n GLN 106 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1ppk s GLN 107 N -2.35 0.21 -0.00 -1.09 -1.52 -0.93 -4.62 119.66 109.36 1ppk s GLN 107 Ca -0.03 0.02 -0.02 0.00 -1.95 0.00 0.00 55.36 53.38 1ppk s GLN 107 Cb 0.03 0.10 -0.00 0.00 -0.22 0.00 0.00 33.01 32.92 1ppk s GLN 107 CO 0.31 -0.04 0.04 0.96 -0.25 0.00 0.00 175.29 176.31 1ppk s ILE 108 N -0.28 0.05 0.77 1.08 -4.36 -1.26 -1.26 121.20 115.94 1ppk s ILE 108 Ca -0.04 -0.40 -0.12 0.00 -0.26 0.00 0.00 60.65 59.83 1ppk s ILE 108 Cb -0.03 -0.19 0.06 0.00 1.25 0.00 0.00 42.46 43.55 1ppk s ILE 108 CO 0.00 -0.22 1.14 -0.94 0.24 0.00 0.00 174.94 175.16 1ppk s SER 109 N -0.68 4.82 0.38 4.36 1.04 -0.53 -4.77 113.70 118.32 1ppk s SER 109 Ca -0.08 0.96 0.14 0.00 0.48 0.00 0.00 55.95 57.45 1ppk s SER 109 Cb -0.05 -1.59 0.97 0.00 0.10 0.00 0.00 66.02 65.46 1ppk s SER 109 CO -0.00 -1.72 1.84 0.00 0.98 0.00 0.00 173.24 174.34 1ppk h ALA 110 N -0.92 2.03 -0.75 5.32 0.00 -1.97 -1.35 119.26 121.62 1ppk h ALA 110 Ca -0.46 0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.57 1ppk h ALA 110 Cb 1.30 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.96 1ppk h ALA 110 CO 0.65 -0.33 0.40 1.96 0.00 0.00 0.00 179.25 181.92 1ppk h GLN 111 N 0.53 0.66 -0.01 0.00 7.50 -1.95 0.19 115.11 122.03 1ppk h GLN 111 Ca 0.49 -0.04 -0.20 0.00 0.50 0.00 0.00 58.65 59.40 1ppk h GLN 111 Cb 1.05 -0.15 -0.01 0.00 0.05 0.00 0.00 27.48 28.42 1ppk h GLN 111 CO -0.23 0.44 -0.87 0.74 -1.50 0.00 0.00 178.83 177.41 1ppk h PHE 112 N 0.68 0.40 0.00 2.96 -1.00 -1.62 -2.55 116.94 115.81 1ppk h PHE 112 Ca 0.36 -0.21 -0.06 0.00 2.81 0.00 0.00 57.97 60.87 1ppk h PHE 112 Cb 0.34 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 39.84 1ppk h PHE 112 CO -0.09 1.02 -0.28 1.96 -1.61 0.00 0.00 178.31 179.31 1ppk h GLN 113 N 0.16 0.00 0.00 1.51 4.20 -0.75 -2.73 115.11 117.51 1ppk h GLN 113 Ca -0.05 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 1ppk h GLN 113 Cb 1.49 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.27 1ppk h GLN 113 CO 0.14 0.28 -0.47 1.96 -0.67 0.00 0.00 178.83 180.07 1ppk h GLN 114 N 0.00 0.00 -5.38 1.46 4.20 -0.43 -3.44 115.11 111.52 1ppk h GLN 114 Ca -0.00 0.00 -0.64 0.00 0.06 0.00 0.00 58.65 58.07 1ppk h GLN 114 Cb 0.49 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.12 1ppk h GLN 114 CO 0.04 0.13 0.48 0.34 -0.67 0.00 0.00 178.83 179.15 1ppk s ASP 115 N -6.02 6.19 -0.01 1.46 -1.08 -0.98 -4.89 116.67 111.33 1ppk s ASP 115 Ca 0.04 -0.99 0.12 0.00 -0.52 0.00 0.00 52.55 51.20 1ppk s ASP 115 Cb 0.07 -2.40 0.37 0.00 -1.46 0.00 0.00 42.92 39.49 1ppk s ASP 115 CO 0.73 -1.38 1.30 0.35 0.52 0.00 0.00 175.17 176.69 1ppk n THR 116 N 5.89 0.60 0.14 1.71 -2.24 -1.26 -3.99 114.28 115.13 1ppk n THR 116 Ca -0.04 -0.56 0.02 0.00 -2.27 0.00 0.00 64.05 61.20 1ppk n THR 116 Cb 0.45 0.24 0.02 0.00 -2.10 0.00 0.00 70.33 68.94 1ppk n THR 116 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1ppk h ASN 117 N 2.39 0.00 -4.15 3.42 2.35 -1.90 -3.46 115.58 114.23 1ppk h ASN 117 Ca 0.00 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.45 1ppk h ASN 117 Cb 0.59 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 38.81 1ppk h ASN 117 CO 0.01 0.52 -0.70 0.54 -1.65 0.00 0.00 177.43 176.15 1ppk s ASN 118 N -6.47 1.60 -0.18 5.81 2.20 -1.26 -4.92 114.94 111.73 1ppk s ASN 118 Ca 0.04 -1.04 0.16 0.00 -0.94 0.00 0.00 52.86 51.08 1ppk s ASN 118 Cb 0.08 0.03 0.42 0.00 -2.00 0.00 0.00 41.25 39.77 1ppk s ASN 118 CO 0.75 -0.39 1.30 0.47 -2.94 0.00 0.00 177.10 176.28 1ppk n ASP 119 N -0.18 2.79 0.00 3.54 8.00 0.13 -4.97 116.55 125.85 1ppk n ASP 119 Ca -0.10 -3.27 0.00 0.00 0.71 0.00 0.00 54.79 52.13 1ppk n ASP 119 Cb 0.61 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 1ppk n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ppk n GLY 120 N -1.05 0.85 3.27 0.44 0.00 -1.26 -1.17 105.19 106.27 1ppk n GLY 120 Ca 0.21 -2.01 -0.26 0.00 0.00 0.00 0.00 46.02 43.97 1ppk n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ppk s LEU 121 N 0.00 2.19 -0.28 0.99 1.02 -0.34 -1.11 118.68 121.15 1ppk s LEU 121 Ca 0.00 -0.56 -0.00 0.00 0.02 0.00 0.00 54.13 53.59 1ppk s LEU 121 Cb 0.00 -0.99 0.05 0.00 0.02 0.00 0.00 46.19 45.28 1ppk s LEU 121 CO 0.00 0.15 -0.04 -0.22 0.02 0.00 0.00 176.35 176.26 1ppk s LEU 122 N -1.32 3.69 0.18 1.79 0.20 -0.72 -1.41 118.68 121.09 1ppk s LEU 122 Ca 0.08 -1.28 -0.29 0.00 0.69 0.00 0.00 54.13 53.33 1ppk s LEU 122 Cb -0.09 -1.66 -0.08 0.00 -0.43 0.00 0.00 46.19 43.94 1ppk s LEU 122 CO 0.02 -0.23 0.93 -0.83 -0.29 0.00 0.00 176.35 175.95 1ppk s GLY 123 N 1.21 3.05 -0.05 7.98 0.00 -0.70 -0.75 107.32 118.05 1ppk s GLY 123 Ca -0.06 0.57 0.08 0.00 0.00 0.00 0.00 44.72 45.31 1ppk s GLY 123 CO -0.03 1.27 1.00 1.04 0.00 0.00 0.00 173.10 176.38 1ppk n LEU 124 N 2.06 1.40 0.00 0.66 4.77 -0.05 -4.40 117.00 121.44 1ppk n LEU 124 Ca -0.01 -1.95 -0.25 0.00 -0.03 0.00 0.00 56.01 53.78 1ppk n LEU 124 Cb 0.48 -0.18 0.18 0.00 -2.33 0.00 0.00 43.42 41.57 1ppk n LEU 124 CO 0.50 0.46 0.68 0.00 -1.33 0.00 0.00 177.39 177.70 1ppk n ALA 125 N -0.70 -1.63 -1.77 -1.18 0.00 -0.32 -4.79 120.51 110.12 1ppk n ALA 125 Ca 0.07 -1.42 -0.37 0.00 0.00 0.00 0.00 53.44 51.71 1ppk n ALA 125 Cb 0.55 -0.08 -0.01 0.00 0.00 0.00 0.00 19.45 19.91 1ppk n ALA 125 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1ppk s PHE 126 N -3.24 2.91 -0.22 0.00 0.40 -0.57 -4.77 117.98 112.47 1ppk s PHE 126 Ca 0.62 1.54 0.24 0.00 -0.60 0.00 0.00 56.93 58.73 1ppk s PHE 126 Cb -0.03 -3.39 1.20 0.00 0.51 0.00 0.00 43.02 41.31 1ppk s PHE 126 CO 0.44 -1.49 1.73 0.77 0.70 0.00 0.00 175.22 177.38 1ppk h SER 127 N 2.16 0.00 -0.17 1.36 0.02 -1.89 -2.86 113.55 112.16 1ppk h SER 127 Ca -0.49 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 60.51 1ppk h SER 127 Cb 1.25 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 1ppk h SER 127 CO 0.61 0.00 0.20 0.77 -1.14 0.00 0.00 176.83 177.27 1ppk h SER 128 N 0.00 0.00 -0.42 3.07 4.64 -1.90 -0.48 113.55 118.46 1ppk h SER 128 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ppk h SER 128 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1ppk h SER 128 CO 0.00 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.26 1ppk n ILE 129 N -3.75 1.96 -1.90 0.95 -5.35 -1.08 -4.99 119.36 105.20 1ppk n ILE 129 Ca 0.01 -1.46 -0.41 0.00 -0.27 0.00 0.00 62.75 60.62 1ppk n ILE 129 Cb 0.32 0.00 -0.02 0.00 -1.74 0.00 0.00 39.64 38.21 1ppk n ILE 129 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1ppk s ASN 130 N -1.33 6.50 0.00 7.28 3.84 -0.19 -4.57 114.94 126.48 1ppk s ASN 130 Ca 0.42 2.85 0.29 0.00 0.21 0.00 0.00 52.86 56.62 1ppk s ASN 130 Cb 0.30 -2.64 1.18 0.00 -0.55 0.00 0.00 41.25 39.54 1ppk s ASN 130 CO 0.15 -0.79 1.82 0.35 -2.79 0.00 0.00 177.10 175.84 1ppk n THR 131 N 1.72 0.00 -1.75 -5.21 -2.24 -1.26 -4.77 114.28 100.77 1ppk n THR 131 Ca 0.05 -0.13 -0.42 0.00 -2.27 0.00 0.00 64.05 61.29 1ppk n THR 131 Cb 0.39 0.13 -0.01 0.00 -2.10 0.00 0.00 70.33 68.75 1ppk n THR 131 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1ppk n VAL 132 N -0.53 1.64 -4.32 2.28 0.31 -1.26 -4.25 118.33 112.20 1ppk n VAL 132 Ca 0.17 -0.41 -0.19 0.00 -0.01 0.00 0.00 64.34 63.90 1ppk n VAL 132 Cb 0.29 -1.90 -0.13 0.00 -0.91 0.00 0.00 33.84 31.19 1ppk n VAL 132 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1ppk s GLN 133 N -1.48 0.82 0.16 5.55 -0.21 0.57 -3.02 119.66 122.05 1ppk s GLN 133 Ca 0.58 -0.64 0.26 0.00 0.02 0.00 0.00 55.36 55.58 1ppk s GLN 133 Cb -0.50 -0.79 0.78 0.00 1.00 0.00 0.00 33.01 33.50 1ppk s GLN 133 CO 0.58 0.20 1.71 -0.35 -2.12 0.00 0.00 175.29 175.30 1ppk n PRO 134 N 2.10 0.22 -4.73 2.91 -0.04 -1.26 -1.40 135.00 132.80 1ppk n PRO 134 Ca -0.17 0.15 -0.28 0.00 -0.04 0.00 0.00 63.50 63.16 1ppk n PRO 134 Cb 0.55 -1.73 -0.17 0.00 -0.04 0.00 0.00 33.50 32.11 1ppk n PRO 134 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1ppk s GLN 135 N -3.09 2.31 0.67 0.54 -0.21 -1.26 -5.13 119.66 113.49 1ppk s GLN 135 Ca 0.10 -0.61 -0.14 0.00 0.02 0.00 0.00 55.36 54.73 1ppk s GLN 135 Cb 0.14 -1.86 0.01 0.00 1.00 0.00 0.00 33.01 32.29 1ppk s GLN 135 CO 0.61 0.04 1.10 -1.54 -2.12 0.00 0.00 175.29 173.38 1ppk s SER 136 N 0.69 5.10 0.38 5.90 1.04 -1.17 -4.75 113.70 120.89 1ppk s SER 136 Ca -0.13 1.93 0.08 0.00 0.48 0.00 0.00 55.95 58.31 1ppk s SER 136 Cb -0.16 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.37 1ppk s SER 136 CO 0.03 -1.64 0.15 -1.10 0.98 0.00 0.00 173.24 171.67 1ppk s GLN 137 N -4.27 2.26 0.14 4.02 -1.52 -1.26 -5.00 119.66 114.02 1ppk s GLN 137 Ca 0.65 -1.74 -0.13 0.00 -1.95 0.00 0.00 55.36 52.19 1ppk s GLN 137 Cb -0.19 -2.04 -0.07 0.00 -0.22 0.00 0.00 33.01 30.49 1ppk s GLN 137 CO 0.44 -0.02 0.52 0.95 -0.25 0.00 0.00 175.29 176.92 1ppk s THR 138 N -2.54 4.92 0.91 -0.19 -4.23 -1.26 -4.71 115.64 108.54 1ppk s THR 138 Ca 0.40 0.72 -0.11 0.00 -1.18 0.00 0.00 61.69 61.51 1ppk s THR 138 Cb 0.01 -3.71 0.14 0.00 1.34 0.00 0.00 72.50 70.28 1ppk s THR 138 CO 0.22 0.23 1.09 0.42 -0.54 0.00 0.00 174.62 176.05 1ppk s THR 139 N -1.47 2.61 0.25 3.99 -4.23 -1.26 -4.63 115.64 110.90 1ppk s THR 139 Ca 0.37 0.20 -0.03 0.00 -1.18 0.00 0.00 61.69 61.05 1ppk s THR 139 Cb -0.14 -2.58 0.23 0.00 1.34 0.00 0.00 72.50 71.35 1ppk s THR 139 CO 0.19 -0.26 1.74 0.15 -0.54 0.00 0.00 174.62 175.90 1ppk h PHE 140 N -1.65 0.60 -0.10 3.99 3.57 -1.93 0.25 116.94 121.68 1ppk h PHE 140 Ca -0.49 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.04 1ppk h PHE 140 Cb 1.28 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.87 1ppk h PHE 140 CO 0.44 0.10 0.03 0.35 -2.23 0.00 0.00 178.31 177.00 1ppk h PHE 141 N 0.50 0.17 -0.47 0.41 3.04 -1.91 -2.09 116.94 116.60 1ppk h PHE 141 Ca 0.43 -0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.36 1ppk h PHE 141 Cb 0.65 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 39.09 1ppk h PHE 141 CO -0.14 0.31 0.27 -0.44 -2.02 0.00 0.00 178.31 176.29 1ppk h ASP 142 N -0.02 0.55 -0.63 0.41 3.45 -1.71 0.16 116.42 118.64 1ppk h ASP 142 Ca 0.03 -0.03 -0.07 0.00 0.43 0.00 0.00 57.03 57.40 1ppk h ASP 142 Cb 0.23 -0.14 -0.03 0.00 -0.56 0.00 0.00 39.33 38.83 1ppk h ASP 142 CO -0.00 0.44 0.15 0.74 -1.57 0.00 0.00 179.24 178.99 1ppk h THR 143 N 0.64 1.25 0.00 0.35 2.02 -0.15 -3.29 112.91 113.73 1ppk h THR 143 Ca 0.17 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 66.40 1ppk h THR 143 Cb -0.01 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1ppk h THR 143 CO -0.03 0.36 -1.05 1.33 0.37 0.00 0.00 175.52 176.50 1ppk n VAL 144 N -4.24 0.01 0.05 3.16 0.24 -0.82 -4.65 118.33 112.08 1ppk n VAL 144 Ca 0.05 -0.05 0.11 0.00 -2.04 0.00 0.00 64.34 62.41 1ppk n VAL 144 Cb 0.26 0.84 0.57 0.00 -1.47 0.00 0.00 33.84 34.03 1ppk n VAL 144 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 1ppk h LYS 145 N 0.00 0.23 0.00 7.34 2.10 -0.75 0.31 116.57 125.80 1ppk h LYS 145 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1ppk h LYS 145 Cb 0.55 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.83 1ppk h LYS 145 CO 0.00 0.15 0.00 0.66 -2.00 0.00 0.00 179.45 178.26 1ppk h SER 146 N 0.23 0.00 0.58 7.07 4.64 -1.82 -2.51 113.55 121.75 1ppk h SER 146 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1ppk h SER 146 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1ppk h SER 146 CO -0.03 0.00 -0.79 -1.54 -0.87 0.00 0.00 176.83 173.60 1ppk n SER 147 N -2.88 0.63 -4.81 4.97 3.41 0.11 -4.93 113.62 110.12 1ppk n SER 147 Ca 0.02 -0.13 -0.32 0.00 -0.26 0.00 0.00 58.87 58.18 1ppk n SER 147 Cb 0.34 0.48 0.03 0.00 -0.26 0.00 0.00 64.21 64.80 1ppk n SER 147 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ppk s LEU 148 N -3.83 3.33 0.29 1.04 1.43 -0.94 -2.27 118.68 117.73 1ppk s LEU 148 Ca 0.06 1.72 -0.02 0.00 -1.03 0.00 0.00 54.13 54.86 1ppk s LEU 148 Cb 0.15 -4.52 0.43 0.00 0.03 0.00 0.00 46.19 42.28 1ppk s LEU 148 CO 0.76 -1.28 1.92 0.00 0.23 0.00 0.00 176.35 177.97 1ppk h ALA 149 N -0.09 1.34 -3.84 4.21 0.00 -1.38 -3.42 119.26 116.08 1ppk h ALA 149 Ca -0.45 -0.11 -0.30 0.00 0.00 0.00 0.00 54.91 54.05 1ppk h ALA 149 Cb 1.21 -0.30 -0.29 0.00 0.00 0.00 0.00 17.79 18.42 1ppk h ALA 149 CO 0.57 0.54 -0.75 -0.65 0.00 0.00 0.00 179.25 178.97 1ppk s GLN 150 N -5.69 0.32 -1.43 0.00 -0.21 -1.05 -5.06 119.66 106.53 1ppk s GLN 150 Ca -0.11 -0.13 -0.13 0.00 0.02 0.00 0.00 55.36 55.01 1ppk s GLN 150 Cb 0.17 -0.32 0.06 0.00 1.00 0.00 0.00 33.01 33.92 1ppk s GLN 150 CO 0.80 0.07 2.21 -0.35 -2.12 0.00 0.00 175.29 175.90 1ppk n PRO 151 N 3.05 3.06 -3.69 2.91 -0.04 -1.26 -4.08 135.00 134.95 1ppk n PRO 151 Ca -0.13 -2.76 -0.10 0.00 -0.04 0.00 0.00 63.50 60.47 1ppk n PRO 151 Cb 0.58 -3.19 -0.03 0.00 -0.04 0.00 0.00 33.50 30.82 1ppk n PRO 151 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1ppk s LEU 152 N 1.60 -0.01 0.06 1.53 0.05 -1.26 -1.14 118.68 119.51 1ppk s LEU 152 Ca 0.47 -0.41 -0.00 0.00 0.05 0.00 0.00 54.13 54.24 1ppk s LEU 152 Cb 0.14 2.22 -0.04 0.00 -2.05 0.00 0.00 46.19 46.45 1ppk s LEU 152 CO -0.07 -1.04 -0.04 0.72 -0.55 0.00 0.00 176.35 175.36 1ppk s PHE 153 N -3.85 0.60 0.04 3.48 -0.71 -0.52 -0.37 117.98 116.65 1ppk s PHE 153 Ca 0.08 -0.99 -0.01 0.00 -1.04 0.00 0.00 56.93 54.97 1ppk s PHE 153 Cb -0.01 -0.41 -0.03 0.00 -1.21 0.00 0.00 43.02 41.36 1ppk s PHE 153 CO -0.04 -0.31 -0.03 0.00 -1.34 0.00 0.00 175.22 173.50 1ppk s ALA 154 N -3.65 0.41 -0.01 1.99 0.00 0.88 0.66 121.76 122.04 1ppk s ALA 154 Ca 0.06 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 51.01 1ppk s ALA 154 Cb 0.06 0.23 0.01 0.00 0.00 0.00 0.00 23.12 23.41 1ppk s ALA 154 CO -0.08 -0.30 -0.01 0.54 0.00 0.00 0.00 175.76 175.91 1ppk s VAL 155 N -3.15 0.17 -0.24 0.00 0.11 0.57 0.01 120.40 117.88 1ppk s VAL 155 Ca 0.00 -0.04 0.01 0.00 -2.93 0.00 0.00 61.98 59.02 1ppk s VAL 155 Cb 0.02 -0.18 0.06 0.00 -1.53 0.00 0.00 36.38 34.75 1ppk s VAL 155 CO -0.07 0.08 -0.06 0.00 -3.33 0.00 0.00 175.10 171.72 1ppk s ALA 156 N 0.27 2.02 -0.14 1.54 0.00 -0.58 -1.40 121.76 123.47 1ppk s ALA 156 Ca -0.02 -1.40 -0.09 0.00 0.00 0.00 0.00 51.96 50.44 1ppk s ALA 156 Cb -0.05 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.58 1ppk s ALA 156 CO -0.01 -1.20 0.17 -0.51 0.00 0.00 0.00 175.76 174.22 1ppk s LEU 157 N 1.37 4.33 0.29 0.00 1.43 -1.26 -1.63 118.68 123.21 1ppk s LEU 157 Ca -0.06 0.44 0.08 0.00 -1.03 0.00 0.00 54.13 53.56 1ppk s LEU 157 Cb -0.19 -2.15 -0.06 0.00 0.03 0.00 0.00 46.19 43.83 1ppk s LEU 157 CO -0.06 0.31 -0.08 -0.54 0.23 0.00 0.00 176.35 176.20 1ppk s LYS 158 N -0.48 1.60 -0.38 1.70 1.02 -1.26 -4.06 119.74 117.88 1ppk s LYS 158 Ca 0.14 -1.80 -0.28 0.00 0.02 0.00 0.00 55.97 54.04 1ppk s LYS 158 Cb -0.12 -1.31 0.02 0.00 -0.52 0.00 0.00 37.83 35.90 1ppk s LYS 158 CO 0.03 0.09 1.07 -1.58 -0.92 0.00 0.00 175.35 174.04 1ppk s HIS 159 N -2.89 3.02 -1.57 3.18 5.65 -1.26 -4.20 115.29 117.22 1ppk s HIS 159 Ca 0.30 0.96 -0.09 0.00 0.25 0.00 0.00 55.06 56.48 1ppk s HIS 159 Cb 0.03 -3.95 0.08 0.00 -1.18 0.00 0.00 32.58 27.55 1ppk s HIS 159 CO 0.13 -0.95 0.50 1.04 -0.65 0.00 0.00 174.74 174.80 1ppk n GLN 160 N 7.20 -2.68 -3.64 2.88 1.13 -1.26 -4.94 117.38 116.07 1ppk n GLN 160 Ca 0.11 0.32 -0.14 0.00 -1.94 0.00 0.00 57.00 55.36 1ppk n GLN 160 Cb 0.48 -4.59 -0.06 0.00 0.11 0.00 0.00 30.24 26.17 1ppk n GLN 160 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1ppk s GLN 161 N -6.88 0.94 0.51 -1.09 -0.21 -1.26 -5.06 119.66 106.61 1ppk s GLN 161 Ca 0.33 -0.25 -0.22 0.00 0.02 0.00 0.00 55.36 55.24 1ppk s GLN 161 Cb -0.18 0.42 -0.06 0.00 1.00 0.00 0.00 33.01 34.19 1ppk s GLN 161 CO 0.93 -0.32 1.23 -2.14 -2.12 0.00 0.00 175.29 172.87 1ppk s PRO 162 N -2.23 3.45 0.00 2.91 0.02 -1.26 -4.26 135.00 133.63 1ppk s PRO 162 Ca -0.07 1.92 0.00 0.00 0.02 0.00 0.00 61.00 62.87 1ppk s PRO 162 Cb -0.01 -2.28 0.00 0.00 0.02 0.00 0.00 34.50 32.22 1ppk s PRO 162 CO -0.00 -0.84 0.00 0.41 -0.33 0.00 0.00 177.00 176.23 1ppk n GLY 163 N 0.53 4.62 3.09 0.52 0.00 0.77 -4.78 105.19 109.94 1ppk n GLY 163 Ca 0.09 -1.89 -0.07 0.00 0.00 0.00 0.00 46.02 44.15 1ppk n GLY 163 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ppk s VAL 164 N -1.19 0.22 -0.23 1.61 -7.23 -0.64 -1.49 120.40 111.46 1ppk s VAL 164 Ca 0.00 -1.82 -0.01 0.00 -1.81 0.00 0.00 61.98 58.35 1ppk s VAL 164 Cb 0.00 -1.55 0.03 0.00 0.56 0.00 0.00 36.38 35.42 1ppk s VAL 164 CO 0.00 -0.97 -0.10 -0.31 -0.31 0.00 0.00 175.10 173.41 1ppk s TYR 165 N -3.92 3.02 -0.17 2.82 1.51 -0.05 -1.53 117.35 119.04 1ppk s TYR 165 Ca 0.08 -1.61 -0.13 0.00 -1.01 0.00 0.00 57.07 54.39 1ppk s TYR 165 Cb 0.08 -2.02 -0.05 0.00 -0.11 0.00 0.00 41.96 39.87 1ppk s TYR 165 CO -0.09 -0.75 0.28 -0.51 -1.11 0.00 0.00 175.55 173.36 1ppk s ASP 166 N 1.30 6.40 -0.18 2.29 -0.00 0.10 -0.97 116.67 125.62 1ppk s ASP 166 Ca 0.01 0.47 -0.04 0.00 -0.00 0.00 0.00 52.55 52.98 1ppk s ASP 166 Cb -0.16 -2.17 -0.02 0.00 -0.00 0.00 0.00 42.92 40.56 1ppk s ASP 166 CO -0.06 0.10 -0.02 -0.36 -0.00 0.00 0.00 175.17 174.83 1ppk s PHE 167 N 0.49 3.02 0.00 4.23 0.40 0.33 -0.09 117.98 126.37 1ppk s PHE 167 Ca 0.15 -0.43 0.00 0.00 -0.60 0.00 0.00 56.93 56.05 1ppk s PHE 167 Cb -0.13 -2.04 0.00 0.00 0.51 0.00 0.00 43.02 41.37 1ppk s PHE 167 CO 0.03 -0.19 0.00 0.41 0.70 0.00 0.00 175.22 176.18 1ppk n GLY 168 N 4.01 0.97 3.52 4.36 0.00 0.50 -1.44 105.19 117.11 1ppk n GLY 168 Ca -0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 1ppk n GLY 168 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ppk s PHE 169 N -3.26 -0.31 -0.14 1.61 -0.71 -1.26 -2.52 117.98 111.38 1ppk s PHE 169 Ca 0.00 0.01 -0.02 0.00 -1.04 0.00 0.00 56.93 55.88 1ppk s PHE 169 Cb 0.00 0.50 -0.02 0.00 -1.21 0.00 0.00 43.02 42.29 1ppk s PHE 169 CO 0.00 -0.92 -0.07 0.42 -1.34 0.00 0.00 175.22 173.31 1ppk s ILE 170 N -3.82 3.61 -0.48 -4.49 1.01 -1.26 -4.64 121.20 111.13 1ppk s ILE 170 Ca 0.05 -0.46 -0.16 0.00 0.00 0.00 0.00 60.65 60.09 1ppk s ILE 170 Cb -0.02 -2.56 0.08 0.00 0.01 0.00 0.00 42.46 39.98 1ppk s ILE 170 CO -0.06 0.51 0.41 -0.62 0.00 0.00 0.00 174.94 175.18 1ppk s ASP 171 N 0.27 6.15 0.47 3.58 3.68 -1.26 -4.92 116.67 124.64 1ppk s ASP 171 Ca -0.05 -1.39 0.32 0.00 2.13 0.00 0.00 52.55 53.56 1ppk s ASP 171 Cb -0.14 -2.19 1.46 0.00 -1.45 0.00 0.00 42.92 40.59 1ppk s ASP 171 CO 0.04 -0.67 1.96 0.28 0.13 0.00 0.00 175.17 176.90 1ppk h SER 172 N 8.77 0.00 0.67 -0.34 0.02 -1.97 -1.83 113.55 118.87 1ppk h SER 172 Ca -0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1ppk h SER 172 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1ppk h SER 172 CO 0.90 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 175.05 1ppk n SER 173 N -2.78 0.00 -0.23 3.07 3.41 -1.26 -3.48 113.62 112.36 1ppk n SER 173 Ca 0.00 0.45 0.14 0.00 -0.26 0.00 0.00 58.87 59.20 1ppk n SER 173 Cb 0.21 -0.48 0.55 0.00 -0.26 0.00 0.00 64.21 64.23 1ppk n SER 173 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ppk n LYS 174 N -1.48 0.97 -4.01 4.33 4.76 -0.69 -4.74 118.16 117.31 1ppk n LYS 174 Ca 0.05 -0.45 -0.09 0.00 -2.87 0.00 0.00 58.31 54.95 1ppk n LYS 174 Cb 0.23 -1.49 -0.08 0.00 -1.84 0.00 0.00 35.03 31.85 1ppk n LYS 174 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 1ppk s TYR 175 N -2.34 0.48 -0.15 2.13 1.13 -1.23 -0.59 117.35 116.79 1ppk s TYR 175 Ca 0.31 -0.89 -0.08 0.00 -1.41 0.00 0.00 57.07 54.99 1ppk s TYR 175 Cb 0.20 -0.22 -0.04 0.00 -1.10 0.00 0.00 41.96 40.80 1ppk s TYR 175 CO 0.45 -0.57 0.14 0.99 -2.51 0.00 0.00 175.55 174.05 1ppk s THR 176 N -3.96 5.47 0.00 -3.49 2.01 -0.54 -4.66 115.64 110.47 1ppk s THR 176 Ca 0.15 0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.36 1ppk s THR 176 Cb 0.05 -3.43 0.00 0.00 0.01 0.00 0.00 72.50 69.14 1ppk s THR 176 CO -0.04 0.55 0.00 0.61 -0.69 0.00 0.00 174.62 175.06 1ppk n GLY 177 N 2.54 0.27 3.59 4.40 0.00 -1.26 -4.25 105.19 110.48 1ppk n GLY 177 Ca -0.18 -0.94 -0.26 0.00 0.00 0.00 0.00 46.02 44.64 1ppk n GLY 177 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ppk s SER 178 N -4.00 4.33 0.49 1.61 0.01 -1.26 -5.09 113.70 109.79 1ppk s SER 178 Ca 0.00 -0.58 -0.21 0.00 1.31 0.00 0.00 55.95 56.47 1ppk s SER 178 Cb 0.00 -0.76 -0.08 0.00 0.21 0.00 0.00 66.02 65.40 1ppk s SER 178 CO 0.00 0.09 1.08 -0.76 0.41 0.00 0.00 173.24 174.06 1ppk s LEU 179 N -2.97 3.88 -0.15 2.44 1.43 -1.26 -4.77 118.68 117.28 1ppk s LEU 179 Ca 0.26 2.06 -0.00 0.00 -1.03 0.00 0.00 54.13 55.42 1ppk s LEU 179 Cb -0.08 -4.47 -0.01 0.00 0.03 0.00 0.00 46.19 41.66 1ppk s LEU 179 CO 0.16 -0.88 -0.14 -0.89 0.23 0.00 0.00 176.35 174.83 1ppk s THR 180 N -1.82 2.87 0.14 5.49 2.01 -0.25 -4.90 115.64 119.18 1ppk s THR 180 Ca 0.67 -0.71 0.03 0.00 0.31 0.00 0.00 61.69 62.00 1ppk s THR 180 Cb -0.21 -2.22 -0.04 0.00 0.01 0.00 0.00 72.50 70.05 1ppk s THR 180 CO 0.25 0.51 0.20 -0.31 -0.69 0.00 0.00 174.62 174.58 1ppk s TYR 181 N 0.69 3.34 0.02 4.92 1.51 -1.26 -0.57 117.35 126.00 1ppk s TYR 181 Ca -0.07 0.07 -0.01 0.00 -1.01 0.00 0.00 57.07 56.06 1ppk s TYR 181 Cb -0.15 -1.61 -0.02 0.00 -0.11 0.00 0.00 41.96 40.06 1ppk s TYR 181 CO 0.02 0.52 -0.02 -0.08 -1.11 0.00 0.00 175.55 174.88 1ppk s THR 182 N -1.70 0.13 0.43 -0.71 -1.32 0.73 -4.89 115.64 108.30 1ppk s THR 182 Ca 0.33 -1.03 -0.24 0.00 -1.21 0.00 0.00 61.69 59.54 1ppk s THR 182 Cb -0.11 -0.46 -0.08 0.00 -1.51 0.00 0.00 72.50 70.34 1ppk s THR 182 CO 0.26 -0.57 1.12 -0.83 -2.21 0.00 0.00 174.62 172.39 1ppk s GLY 183 N -1.68 2.77 -0.11 6.08 0.00 -1.26 -1.32 107.32 111.79 1ppk s GLY 183 Ca -0.12 0.85 -0.03 0.00 0.00 0.00 0.00 44.72 45.42 1ppk s GLY 183 CO -0.02 1.30 -0.00 0.14 0.00 0.00 0.00 173.10 174.51 1ppk s VAL 184 N -1.58 4.27 -0.46 1.40 1.01 -1.02 -4.47 120.40 119.54 1ppk s VAL 184 Ca 0.61 -0.25 -0.13 0.00 0.00 0.00 0.00 61.98 62.20 1ppk s VAL 184 Cb -0.26 -2.82 0.08 0.00 0.00 0.00 0.00 36.38 33.38 1ppk s VAL 184 CO 0.32 0.57 0.36 -0.62 0.00 0.00 0.00 175.10 175.73 1ppk s ASP 185 N -0.55 5.99 -0.13 3.32 3.68 0.10 -4.55 116.67 124.53 1ppk s ASP 185 Ca 0.09 -1.40 0.14 0.00 2.13 0.00 0.00 52.55 53.51 1ppk s ASP 185 Cb -0.12 -2.12 0.63 0.00 -1.45 0.00 0.00 42.92 39.86 1ppk s ASP 185 CO 0.02 -0.62 1.50 -0.46 0.13 0.00 0.00 175.17 175.74 1ppk n ASN 186 N 5.11 4.39 0.09 -0.34 6.94 -1.26 -3.60 115.26 126.59 1ppk n ASN 186 Ca -0.12 -2.52 0.09 0.00 -0.02 0.00 0.00 54.58 52.01 1ppk n ASN 186 Cb 0.43 -0.58 0.55 0.00 -2.36 0.00 0.00 39.78 37.83 1ppk n ASN 186 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 1ppk h SER 187 N 3.38 0.22 -0.68 0.53 4.64 -1.93 0.38 113.55 120.09 1ppk h SER 187 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ppk h SER 187 Cb 1.44 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1ppk h SER 187 CO 0.28 0.15 0.00 0.00 -0.87 0.00 0.00 176.83 176.39 1ppk n GLN 188 N -4.49 3.50 -0.92 4.77 1.13 -1.26 -4.93 117.38 115.17 1ppk n GLN 188 Ca 0.03 -2.85 0.00 0.00 -1.94 0.00 0.00 57.00 52.23 1ppk n GLN 188 Cb 0.18 -1.82 0.00 0.00 0.11 0.00 0.00 30.24 28.71 1ppk n GLN 188 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ppk n GLY 189 N 1.29 0.56 3.92 1.08 0.00 0.12 -4.91 105.19 107.25 1ppk n GLY 189 Ca 0.26 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.08 1ppk n GLY 189 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ppk s PHE 190 N -2.09 2.63 -1.14 1.61 0.08 -1.26 -1.52 117.98 116.30 1ppk s PHE 190 Ca 0.00 -0.49 -0.14 0.00 0.12 0.00 0.00 56.93 56.41 1ppk s PHE 190 Cb 0.00 -2.22 0.17 0.00 -0.57 0.00 0.00 43.02 40.41 1ppk s PHE 190 CO 0.00 -0.26 1.34 -1.58 -0.10 0.00 0.00 175.22 174.62 1ppk s TRP 191 N -2.46 3.51 -0.10 0.36 0.52 -1.26 -4.21 118.94 115.30 1ppk s TRP 191 Ca 0.50 -2.06 -0.13 0.00 0.02 0.00 0.00 56.10 54.43 1ppk s TRP 191 Cb -0.05 -4.25 -0.05 0.00 -1.15 0.00 0.00 33.47 27.97 1ppk s TRP 191 CO 0.29 -1.36 0.31 0.45 0.02 0.00 0.00 176.95 176.66 1ppk s SER 192 N 2.81 6.57 0.17 2.95 0.15 -1.24 -1.48 113.70 123.63 1ppk s SER 192 Ca 0.39 0.67 -0.03 0.00 0.70 0.00 0.00 55.95 57.68 1ppk s SER 192 Cb -0.04 -2.19 -0.03 0.00 -1.71 0.00 0.00 66.02 62.05 1ppk s SER 192 CO -0.03 0.23 0.14 0.72 1.20 0.00 0.00 173.24 175.51 1ppk s PHE 193 N -0.35 0.89 -0.02 3.44 -0.71 0.44 -0.72 117.98 120.96 1ppk s PHE 193 Ca 0.19 -1.20 0.01 0.00 -1.04 0.00 0.00 56.93 54.89 1ppk s PHE 193 Cb -0.14 -0.41 -0.04 0.00 -1.21 0.00 0.00 43.02 41.22 1ppk s PHE 193 CO 0.07 -0.62 -0.01 -0.80 -1.34 0.00 0.00 175.22 172.52 1ppk s ASN 194 N -3.08 5.09 -0.02 1.98 0.02 -1.26 -1.46 114.94 116.21 1ppk s ASN 194 Ca 0.29 0.01 0.05 0.00 -1.02 0.00 0.00 52.86 52.19 1ppk s ASN 194 Cb 0.06 -1.34 -0.03 0.00 0.02 0.00 0.00 41.25 39.97 1ppk s ASN 194 CO 0.06 0.30 -0.16 0.68 0.02 0.00 0.00 177.10 178.00 1ppk s VAL 195 N -1.04 2.92 -0.29 1.60 -7.23 -0.03 -4.65 120.40 111.68 1ppk s VAL 195 Ca 0.18 -0.90 0.22 0.00 -1.81 0.00 0.00 61.98 59.67 1ppk s VAL 195 Cb -0.11 -2.17 0.10 0.00 0.56 0.00 0.00 36.38 34.76 1ppk s VAL 195 CO 0.09 0.50 1.23 0.44 -0.31 0.00 0.00 175.10 177.05 1ppk h ASP 196 N 5.06 0.00 -5.58 4.85 3.45 -1.03 -2.29 116.42 120.88 1ppk h ASP 196 Ca -0.47 0.00 0.27 0.00 0.43 0.00 0.00 57.03 57.26 1ppk h ASP 196 Cb 1.15 0.00 -0.10 0.00 -0.56 0.00 0.00 39.33 39.82 1ppk h ASP 196 CO 0.49 0.07 0.69 -0.94 -1.57 0.00 0.00 179.24 177.98 1ppk s SER 197 N -5.73 -0.11 0.05 6.45 1.04 -1.25 -2.67 113.70 111.49 1ppk s SER 197 Ca 0.02 -0.24 -0.03 0.00 0.48 0.00 0.00 55.95 56.18 1ppk s SER 197 Cb 0.08 0.29 -0.03 0.00 0.10 0.00 0.00 66.02 66.46 1ppk s SER 197 CO 0.75 -0.54 0.02 -0.72 0.98 0.00 0.00 173.24 173.73 1ppk s TYR 198 N -2.77 0.40 -0.08 5.02 1.13 -1.00 -0.42 117.35 119.63 1ppk s TYR 198 Ca 0.13 -0.88 -0.00 0.00 -1.41 0.00 0.00 57.07 54.91 1ppk s TYR 198 Cb 0.02 -0.29 0.02 0.00 -1.10 0.00 0.00 41.96 40.62 1ppk s TYR 198 CO -0.01 -0.39 -0.04 0.99 -2.51 0.00 0.00 175.55 173.59 1ppk s THR 199 N -3.56 0.63 -0.46 -3.49 2.01 -0.31 -0.33 115.64 110.13 1ppk s THR 199 Ca 0.03 -0.07 -0.03 0.00 0.31 0.00 0.00 61.69 61.93 1ppk s THR 199 Cb 0.05 -0.71 0.12 0.00 0.01 0.00 0.00 72.50 71.97 1ppk s THR 199 CO -0.09 0.29 0.26 0.00 -0.69 0.00 0.00 174.62 174.39 1ppk s ALA 200 N 1.60 3.25 0.00 7.40 0.00 0.21 0.00 121.76 134.23 1ppk s ALA 200 Ca 0.00 -2.72 0.00 0.00 0.00 0.00 0.00 51.96 49.25 1ppk s ALA 200 Cb -0.13 -2.46 0.00 0.00 0.00 0.00 0.00 23.12 20.53 1ppk s ALA 200 CO -0.04 -1.87 0.00 0.41 0.00 0.00 0.00 175.76 174.25 1ppk n GLY 201 N 4.31 4.10 0.21 0.00 0.00 -0.49 -0.81 105.19 112.51 1ppk n GLY 201 Ca 0.00 0.18 0.10 0.00 0.00 0.00 0.00 46.02 46.31 1ppk n GLY 201 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ppk n SER 202 N 8.20 0.63 -4.30 1.61 7.64 -1.26 -4.87 113.62 121.28 1ppk n SER 202 Ca 0.00 -1.50 -0.30 0.00 1.01 0.00 0.00 58.87 58.08 1ppk n SER 202 Cb 0.00 -0.04 -0.16 0.00 -1.01 0.00 0.00 64.21 63.01 1ppk n SER 202 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1ppk s GLN 203 N -1.93 2.02 0.24 1.43 -0.21 0.01 -5.14 119.66 116.09 1ppk s GLN 203 Ca 0.31 -0.90 0.12 0.00 0.02 0.00 0.00 55.36 54.90 1ppk s GLN 203 Cb 0.15 -1.96 -0.05 0.00 1.00 0.00 0.00 33.01 32.15 1ppk s GLN 203 CO 0.24 0.54 -0.21 -1.12 -2.12 0.00 0.00 175.29 172.62 1ppk s SER 204 N -0.61 3.47 0.30 5.90 0.01 -1.26 0.65 113.70 122.16 1ppk s SER 204 Ca 0.10 -0.96 -0.07 0.00 1.31 0.00 0.00 55.95 56.33 1ppk s SER 204 Cb -0.10 -0.27 0.03 0.00 0.21 0.00 0.00 66.02 65.89 1ppk s SER 204 CO -0.01 0.06 0.52 0.61 0.41 0.00 0.00 173.24 174.84 1ppk n GLY 205 N -0.23 1.70 3.84 3.44 0.00 0.56 -4.98 105.19 109.52 1ppk n GLY 205 Ca -0.08 -1.37 -0.30 0.00 0.00 0.00 0.00 46.02 44.26 1ppk n GLY 205 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ppk s ASP 206 N -2.69 5.15 1.14 1.61 1.01 -1.26 -2.36 116.67 119.26 1ppk s ASP 206 Ca 0.18 1.31 -0.18 0.00 0.71 0.00 0.00 52.55 54.57 1ppk s ASP 206 Cb -0.02 -2.13 0.26 0.00 1.01 0.00 0.00 42.92 42.04 1ppk s ASP 206 CO 0.13 -1.55 1.17 -0.83 0.21 0.00 0.00 175.17 174.30 1ppk s GLY 207 N -4.07 1.64 0.13 0.21 0.00 -1.09 -4.40 107.32 99.74 1ppk s GLY 207 Ca 0.59 -1.04 -0.18 0.00 0.00 0.00 0.00 44.72 44.09 1ppk s GLY 207 CO 0.54 -0.18 0.87 1.97 0.00 0.00 0.00 173.10 176.30 1ppk n PHE 208 N -4.49 -1.10 -4.45 1.90 -1.74 -0.86 -4.95 117.46 101.77 1ppk n PHE 208 Ca 0.14 -0.98 -0.23 0.00 -0.56 0.00 0.00 57.45 55.82 1ppk n PHE 208 Cb 0.59 0.47 -0.10 0.00 1.52 0.00 0.00 39.48 41.97 1ppk n PHE 208 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 1ppk s SER 209 N -3.04 3.39 0.31 5.98 1.04 -1.26 -0.85 113.70 119.27 1ppk s SER 209 Ca 0.20 -1.03 -0.17 0.00 0.48 0.00 0.00 55.95 55.42 1ppk s SER 209 Cb -0.02 -0.27 0.02 0.00 0.10 0.00 0.00 66.02 65.85 1ppk s SER 209 CO 0.04 -0.01 0.68 -0.83 0.98 0.00 0.00 173.24 174.09 1ppk s GLY 210 N -3.47 0.27 0.03 7.32 0.00 -0.54 -0.95 107.32 109.97 1ppk s GLY 210 Ca 0.29 -0.63 0.07 0.00 0.00 0.00 0.00 44.72 44.45 1ppk s GLY 210 CO 0.13 -0.32 -0.21 -0.26 0.00 0.00 0.00 173.10 172.45 1ppk s ILE 211 N -3.43 2.59 -0.32 0.90 -4.36 -0.15 -0.42 121.20 116.01 1ppk s ILE 211 Ca 0.16 -1.19 -0.26 0.00 -0.26 0.00 0.00 60.65 59.10 1ppk s ILE 211 Cb -0.04 -2.05 0.01 0.00 1.25 0.00 0.00 42.46 41.63 1ppk s ILE 211 CO 0.10 0.39 0.95 0.00 0.24 0.00 0.00 174.94 176.62 1ppk s ALA 212 N -0.85 3.49 -0.30 2.27 0.00 -0.55 -0.29 121.76 125.53 1ppk s ALA 212 Ca 0.13 -0.26 -0.03 0.00 0.00 0.00 0.00 51.96 51.81 1ppk s ALA 212 Cb -0.10 -3.52 0.10 0.00 0.00 0.00 0.00 23.12 19.60 1ppk s ALA 212 CO 0.03 -1.41 0.12 0.34 0.00 0.00 0.00 175.76 174.85 1ppk s ASP 213 N 1.68 3.70 0.54 0.00 -1.08 -0.72 -4.50 116.67 116.29 1ppk s ASP 213 Ca 0.40 -1.48 0.28 0.00 -0.52 0.00 0.00 52.55 51.22 1ppk s ASP 213 Cb -0.13 -0.56 1.56 0.00 -1.46 0.00 0.00 42.92 42.33 1ppk s ASP 213 CO 0.15 -0.42 2.12 0.71 0.52 0.00 0.00 175.17 178.25 1ppk h THR 214 N 6.36 0.56 0.00 1.71 1.35 -1.85 -2.76 112.91 118.27 1ppk h THR 214 Ca -0.16 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1ppk h THR 214 Cb 1.01 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 1ppk h THR 214 CO 0.45 0.08 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 1ppk n GLY 215 N -0.87 -0.97 3.44 5.82 0.00 -1.26 -4.69 105.19 106.66 1ppk n GLY 215 Ca -0.02 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 1ppk n GLY 215 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ppk s THR 216 N -2.11 3.45 0.11 2.61 2.01 -1.04 -5.04 115.64 115.63 1ppk s THR 216 Ca 0.41 -0.52 -0.18 0.00 0.31 0.00 0.00 61.69 61.70 1ppk s THR 216 Cb 0.20 -2.47 -0.05 0.00 0.01 0.00 0.00 72.50 70.19 1ppk s THR 216 CO 0.36 0.52 1.61 0.74 -0.69 0.00 0.00 174.62 177.16 1ppk h THR 217 N 5.17 1.21 -0.45 -0.82 2.02 -1.86 0.16 112.91 118.34 1ppk h THR 217 Ca -0.30 -0.68 -0.58 0.00 0.77 0.00 0.00 66.41 65.62 1ppk h THR 217 Cb 1.20 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 68.67 1ppk h THR 217 CO 0.58 0.23 -0.26 -0.76 0.37 0.00 0.00 175.52 175.68 1ppk s LEU 218 N -9.69 2.67 -0.37 2.58 1.43 -1.26 -2.37 118.68 111.66 1ppk s LEU 218 Ca -0.13 -1.25 -0.12 0.00 -1.03 0.00 0.00 54.13 51.60 1ppk s LEU 218 Cb 0.08 -1.15 0.02 0.00 0.03 0.00 0.00 46.19 45.17 1ppk s LEU 218 CO 0.74 -1.21 0.23 -0.22 0.23 0.00 0.00 176.35 176.11 1ppk s LEU 219 N -4.37 4.74 -0.31 1.79 2.96 0.12 -2.60 118.68 121.01 1ppk s LEU 219 Ca 0.36 -0.87 -0.09 0.00 -0.22 0.00 0.00 54.13 53.31 1ppk s LEU 219 Cb -0.03 -2.07 -0.01 0.00 0.50 0.00 0.00 46.19 44.59 1ppk s LEU 219 CO 0.23 -0.37 0.14 -0.76 -1.32 0.00 0.00 176.35 174.27 1ppk s LEU 220 N 1.61 4.05 0.42 -0.68 1.43 -0.13 -1.29 118.68 124.09 1ppk s LEU 220 Ca 0.03 -0.54 0.05 0.00 -1.03 0.00 0.00 54.13 52.64 1ppk s LEU 220 Cb -0.19 -1.98 -0.06 0.00 0.03 0.00 0.00 46.19 43.99 1ppk s LEU 220 CO 0.08 -0.19 0.02 -0.76 0.23 0.00 0.00 176.35 175.73 1ppk s LEU 221 N 1.60 2.56 0.51 1.79 1.43 -0.09 -0.66 118.68 125.81 1ppk s LEU 221 Ca 0.04 -1.46 -0.23 0.00 -1.03 0.00 0.00 54.13 51.46 1ppk s LEU 221 Cb -0.17 -0.72 -0.06 0.00 0.03 0.00 0.00 46.19 45.27 1ppk s LEU 221 CO 0.06 -0.61 1.33 0.47 0.23 0.00 0.00 176.35 177.82 1ppk n ASP 222 N -1.01 2.63 -0.22 2.29 8.00 -1.26 -1.21 116.55 125.75 1ppk n ASP 222 Ca -0.08 1.01 0.20 0.00 0.71 0.00 0.00 54.79 56.63 1ppk n ASP 222 Cb 0.67 -1.55 0.54 0.00 -0.02 0.00 0.00 41.12 40.76 1ppk n ASP 222 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1ppk h ASP 223 N 1.62 0.34 -0.49 -2.24 3.32 -1.96 -0.41 116.42 116.60 1ppk h ASP 223 Ca -0.50 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.57 1ppk h ASP 223 Cb 1.30 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.80 1ppk h ASP 223 CO 0.58 0.14 0.26 0.77 -1.72 0.00 0.00 179.24 179.27 1ppk h SER 224 N 0.34 0.62 -0.09 6.45 4.64 -2.00 0.20 113.55 123.71 1ppk h SER 224 Ca 0.45 -0.10 -0.21 0.00 -0.47 0.00 0.00 61.79 61.47 1ppk h SER 224 Cb 1.22 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1ppk h SER 224 CO -0.15 0.54 -0.71 0.58 -0.87 0.00 0.00 176.83 176.21 1ppk h VAL 225 N 0.65 1.30 -0.30 0.95 2.07 -1.52 -2.44 116.25 116.95 1ppk h VAL 225 Ca 0.17 -1.95 0.00 0.00 0.82 0.00 0.00 66.70 65.75 1ppk h VAL 225 Cb 0.06 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1ppk h VAL 225 CO -0.03 0.61 0.20 0.58 0.02 0.00 0.00 177.57 178.95 1ppk h VAL 226 N 0.51 1.08 -0.37 2.57 2.07 -0.89 0.18 116.25 121.41 1ppk h VAL 226 Ca -0.03 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.36 1ppk h VAL 226 Cb 1.32 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 1ppk h VAL 226 CO 0.14 0.08 0.15 0.28 0.02 0.00 0.00 177.57 178.25 1ppk h SER 227 N 0.41 0.19 -0.92 0.57 0.02 -0.90 0.04 113.55 112.95 1ppk h SER 227 Ca 0.11 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1ppk h SER 227 Cb -0.04 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.46 1ppk h SER 227 CO -0.02 0.15 0.59 -0.61 -1.14 0.00 0.00 176.83 175.79 1ppk h GLN 228 N 0.32 1.23 0.32 3.45 4.15 -1.23 0.22 115.11 123.56 1ppk h GLN 228 Ca 0.16 -0.09 -0.02 0.00 0.77 0.00 0.00 58.65 59.48 1ppk h GLN 228 Cb 0.11 -0.27 0.00 0.00 0.21 0.00 0.00 27.48 27.53 1ppk h GLN 228 CO -0.14 0.83 -0.15 -0.92 -1.93 0.00 0.00 178.83 176.52 1ppk h TYR 229 N 1.26 -0.39 0.00 3.99 3.20 -0.45 -3.21 116.97 121.37 1ppk h TYR 229 Ca 0.33 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.20 1ppk h TYR 229 Cb -0.11 0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.29 1ppk h TYR 229 CO -0.00 -0.10 0.00 1.88 -1.64 0.00 0.00 178.16 178.30 1ppk h TYR 230 N -0.68 0.00 0.00 -3.82 -1.99 -0.82 -2.25 116.97 107.41 1ppk h TYR 230 Ca -0.04 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.69 1ppk h TYR 230 Cb 0.47 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.20 1ppk h TYR 230 CO 0.01 0.00 0.00 0.66 -0.00 0.00 0.00 178.16 178.83 1ppk h SER 231 N 0.00 0.00 -0.40 3.88 4.64 -0.56 -1.40 113.55 119.71 1ppk h SER 231 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ppk h SER 231 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1ppk h SER 231 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1ppk n GLN 232 N -2.76 2.48 -3.90 4.77 6.02 -0.84 -4.81 117.38 118.33 1ppk n GLN 232 Ca -0.02 -2.24 -0.35 0.00 -0.01 0.00 0.00 57.00 54.38 1ppk n GLN 232 Cb 0.09 -1.51 -0.14 0.00 1.02 0.00 0.00 30.24 29.70 1ppk n GLN 232 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1ppk s VAL 233 N -1.49 3.04 0.14 5.09 1.01 -0.53 -4.86 120.40 122.81 1ppk s VAL 233 Ca 0.39 -1.28 -0.31 0.00 0.00 0.00 0.00 61.98 60.78 1ppk s VAL 233 Cb 0.23 -2.70 -0.10 0.00 0.00 0.00 0.00 36.38 33.80 1ppk s VAL 233 CO 0.32 -0.04 1.74 -0.55 0.00 0.00 0.00 175.10 176.57 1ppk s SER 234 N 1.28 6.47 0.00 3.32 0.15 -1.26 -2.18 113.70 121.48 1ppk s SER 234 Ca -0.04 2.72 0.00 0.00 0.70 0.00 0.00 55.95 59.33 1ppk s SER 234 Cb -0.19 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.54 1ppk s SER 234 CO -0.01 -0.96 0.00 0.61 1.20 0.00 0.00 173.24 174.08 1ppk n GLY 235 N 4.08 0.49 3.75 9.45 0.00 -1.26 -4.74 105.19 116.96 1ppk n GLY 235 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1ppk n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ppk n ALA 236 N 1.00 2.52 -2.76 4.61 0.00 -0.93 -4.82 120.51 120.13 1ppk n ALA 236 Ca 0.00 0.37 -0.10 0.00 0.00 0.00 0.00 53.44 53.71 1ppk n ALA 236 Cb 0.08 -2.46 -0.09 0.00 0.00 0.00 0.00 19.45 16.98 1ppk n ALA 236 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1ppk s GLN 237 N -0.57 0.62 0.30 0.00 2.00 -0.59 -4.95 119.66 116.45 1ppk s GLN 237 Ca 0.64 -0.72 -0.26 0.00 -2.00 0.00 0.00 55.36 53.02 1ppk s GLN 237 Cb -0.50 0.25 -0.10 0.00 0.80 0.00 0.00 33.01 33.46 1ppk s GLN 237 CO 0.49 -0.16 0.91 -0.65 -0.50 0.00 0.00 175.29 175.38 1ppk s GLN 238 N -2.59 4.57 -0.25 1.67 -0.21 -1.26 -0.36 119.66 121.23 1ppk s GLN 238 Ca -0.05 1.28 -0.04 0.00 0.02 0.00 0.00 55.36 56.57 1ppk s GLN 238 Cb -0.01 -2.86 0.09 0.00 1.00 0.00 0.00 33.01 31.23 1ppk s GLN 238 CO -0.04 0.32 0.11 0.34 -2.12 0.00 0.00 175.29 173.90 1ppk s ASP 239 N -1.58 3.12 0.52 5.90 3.68 0.60 -4.90 116.67 124.02 1ppk s ASP 239 Ca 0.48 -1.05 0.22 0.00 2.13 0.00 0.00 52.55 54.32 1ppk s ASP 239 Cb -0.19 -0.32 1.40 0.00 -1.45 0.00 0.00 42.92 42.36 1ppk s ASP 239 CO 0.24 -0.41 2.13 0.77 0.13 0.00 0.00 175.17 178.03 1ppk h SER 240 N 8.41 0.00 -0.65 -0.34 4.64 -1.95 0.18 113.55 123.84 1ppk h SER 240 Ca -0.18 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.08 1ppk h SER 240 Cb 1.06 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.12 1ppk h SER 240 CO 0.39 0.07 0.18 0.78 -0.87 0.00 0.00 176.83 177.38 1ppk h ASN 241 N 0.00 0.98 0.74 4.97 2.35 -1.94 -3.02 115.58 119.65 1ppk h ASN 241 Ca -0.00 -0.19 -0.24 0.00 -0.55 0.00 0.00 56.30 55.32 1ppk h ASN 241 Cb 0.13 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.21 1ppk h ASN 241 CO 0.01 0.93 -1.38 0.00 -1.65 0.00 0.00 177.43 175.34 1ppk h ALA 242 N 1.20 0.63 0.00 -0.83 0.00 -1.27 -3.49 119.26 115.50 1ppk h ALA 242 Ca 0.22 -1.15 0.00 0.00 0.00 0.00 0.00 54.91 53.97 1ppk h ALA 242 Cb 0.32 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1ppk h ALA 242 CO -0.00 1.34 0.00 0.41 0.00 0.00 0.00 179.25 180.99 1ppk n GLY 243 N 1.45 1.30 0.00 0.00 0.00 0.42 -5.03 105.19 103.32 1ppk n GLY 243 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1ppk n GLY 243 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ppk n GLY 244 N -1.12 -0.06 3.74 -0.02 0.00 -1.06 -4.98 105.19 101.68 1ppk n GLY 244 Ca 0.00 -1.13 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 1ppk n GLY 244 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ppk s TYR 245 N -3.74 3.25 0.24 1.61 1.51 -1.26 -0.29 117.35 118.67 1ppk s TYR 245 Ca 0.00 1.25 0.06 0.00 -1.01 0.00 0.00 57.07 57.36 1ppk s TYR 245 Cb 0.00 -3.60 -0.05 0.00 -0.11 0.00 0.00 41.96 38.20 1ppk s TYR 245 CO 0.00 -1.84 -0.05 0.14 -1.11 0.00 0.00 175.55 172.69 1ppk s VAL 246 N 0.01 1.41 0.26 0.71 -7.23 0.51 -1.90 120.40 114.18 1ppk s VAL 246 Ca 0.56 -2.10 -0.21 0.00 -1.81 0.00 0.00 61.98 58.42 1ppk s VAL 246 Cb -0.36 -2.32 0.03 0.00 0.56 0.00 0.00 36.38 34.28 1ppk s VAL 246 CO 0.39 -0.38 0.70 0.72 -0.31 0.00 0.00 175.10 176.23 1ppk s PHE 247 N -3.17 -0.24 0.24 2.82 -0.71 -0.67 -1.55 117.98 114.70 1ppk s PHE 247 Ca 0.27 -0.18 -0.31 0.00 -1.04 0.00 0.00 56.93 55.67 1ppk s PHE 247 Cb 0.04 0.69 -0.12 0.00 -1.21 0.00 0.00 43.02 42.42 1ppk s PHE 247 CO 0.09 -1.18 1.67 -3.47 -1.34 0.00 0.00 175.22 170.99 1ppk n ASP 248 N -0.45 3.92 0.31 1.98 2.03 -1.26 0.28 116.55 123.35 1ppk n ASP 248 Ca -0.06 1.10 0.19 0.00 0.52 0.00 0.00 54.79 56.54 1ppk n ASP 248 Cb 0.60 -1.58 1.03 0.00 -0.72 0.00 0.00 41.12 40.45 1ppk n ASP 248 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ppk n SER 250 N -3.36 0.42 -4.60 0.00 3.41 -1.26 -4.93 113.62 103.29 1ppk n SER 250 Ca -0.02 -0.12 -0.42 0.00 -0.26 0.00 0.00 58.87 58.05 1ppk n SER 250 Cb 0.16 0.11 0.01 0.00 -0.26 0.00 0.00 64.21 64.23 1ppk n SER 250 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1ppk n THR 251 N -1.49 2.38 -2.89 6.66 -1.04 -0.74 -4.94 114.28 112.22 1ppk n THR 251 Ca 0.06 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.05 61.14 1ppk n THR 251 Cb 0.34 -1.11 -0.05 0.00 -1.82 0.00 0.00 70.33 67.69 1ppk n THR 251 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1ppk s ASN 252 N -0.74 6.45 0.08 8.00 0.01 -1.26 -5.05 114.94 122.44 1ppk s ASN 252 Ca 0.63 -0.00 -0.08 0.00 -0.71 0.00 0.00 52.86 52.69 1ppk s ASN 252 Cb -0.57 -2.42 -0.06 0.00 0.41 0.00 0.00 41.25 38.62 1ppk s ASN 252 CO 0.57 -0.99 0.38 -0.76 -1.51 0.00 0.00 177.10 174.79 1ppk s LEU 253 N 3.54 4.33 0.71 0.60 1.43 -1.26 -4.94 118.68 123.10 1ppk s LEU 253 Ca 0.34 0.73 -0.14 0.00 -1.03 0.00 0.00 54.13 54.02 1ppk s LEU 253 Cb -0.11 -3.02 0.03 0.00 0.03 0.00 0.00 46.19 43.12 1ppk s LEU 253 CO 0.25 0.16 1.12 -2.16 0.23 0.00 0.00 176.35 175.94 1ppk s PRO 254 N -2.05 2.46 0.74 1.29 0.05 -1.26 -4.11 135.00 132.13 1ppk s PRO 254 Ca 0.34 1.41 -0.12 0.00 0.05 0.00 0.00 61.00 62.69 1ppk s PRO 254 Cb -0.13 -1.91 0.04 0.00 0.05 0.00 0.00 34.50 32.55 1ppk s PRO 254 CO 0.19 -1.52 1.12 -0.51 0.05 0.00 0.00 177.00 176.34 1ppk s ASP 255 N -2.67 5.12 -0.06 6.66 -0.00 -1.26 -3.89 116.67 120.57 1ppk s ASP 255 Ca 0.67 1.01 0.02 0.00 -0.00 0.00 0.00 52.55 54.25 1ppk s ASP 255 Cb -0.21 -1.70 0.01 0.00 -0.00 0.00 0.00 42.92 41.02 1ppk s ASP 255 CO 0.46 -1.53 -0.11 0.12 -0.00 0.00 0.00 175.17 174.10 1ppk s PHE 256 N -3.43 1.36 0.13 4.23 5.36 -0.38 -1.39 117.98 123.85 1ppk s PHE 256 Ca 0.59 -0.47 0.02 0.00 -0.96 0.00 0.00 56.93 56.11 1ppk s PHE 256 Cb -0.11 -1.00 -0.04 0.00 -0.34 0.00 0.00 43.02 41.53 1ppk s PHE 256 CO 0.51 -0.25 -0.05 -1.54 -1.46 0.00 0.00 175.22 172.43 1ppk s SER 257 N 0.61 1.26 0.11 6.13 1.04 0.10 -0.55 113.70 122.39 1ppk s SER 257 Ca -0.13 -1.06 0.05 0.00 0.48 0.00 0.00 55.95 55.30 1ppk s SER 257 Cb -0.15 0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.02 1ppk s SER 257 CO 0.03 -0.48 -0.14 0.68 0.98 0.00 0.00 173.24 174.32 1ppk s VAL 258 N -3.59 1.23 -0.25 5.02 -7.23 -0.53 -1.17 120.40 113.88 1ppk s VAL 258 Ca 0.16 -1.62 -0.07 0.00 -1.81 0.00 0.00 61.98 58.65 1ppk s VAL 258 Cb 0.05 -1.41 -0.03 0.00 0.56 0.00 0.00 36.38 35.56 1ppk s VAL 258 CO -0.01 -0.39 0.07 -0.55 -0.31 0.00 0.00 175.10 173.90 1ppk s SER 259 N -2.30 5.11 -0.30 4.85 0.15 0.44 -0.79 113.70 120.87 1ppk s SER 259 Ca 0.06 -0.21 0.02 0.00 0.70 0.00 0.00 55.95 56.52 1ppk s SER 259 Cb -0.06 -1.92 0.07 0.00 -1.71 0.00 0.00 66.02 62.41 1ppk s SER 259 CO 0.02 -0.03 -0.03 -0.63 1.20 0.00 0.00 173.24 173.77 1ppk s ILE 260 N 1.58 2.44 -1.45 6.45 1.01 0.13 -0.42 121.20 130.94 1ppk s ILE 260 Ca 0.06 -1.76 -0.05 0.00 0.00 0.00 0.00 60.65 58.89 1ppk s ILE 260 Cb -0.15 -2.53 0.04 0.00 0.01 0.00 0.00 42.46 39.83 1ppk s ILE 260 CO 0.03 -0.21 0.65 -1.20 0.00 0.00 0.00 174.94 174.21 1ppk n SER 261 N 4.44 -1.80 0.00 3.58 7.64 -1.26 -1.28 113.62 124.94 1ppk n SER 261 Ca -0.09 -0.92 0.00 0.00 1.01 0.00 0.00 58.87 58.87 1ppk n SER 261 Cb 0.42 -3.42 0.00 0.00 -1.01 0.00 0.00 64.21 60.20 1ppk n SER 261 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ppk n GLY 262 N -1.74 2.25 3.78 0.23 0.00 -1.26 -4.95 105.19 103.50 1ppk n GLY 262 Ca -0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 1ppk n GLY 262 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ppk s TYR 263 N -3.23 3.52 -0.41 1.61 6.14 -0.41 -5.06 117.35 119.50 1ppk s TYR 263 Ca 0.00 0.57 -0.18 0.00 0.64 0.00 0.00 57.07 58.10 1ppk s TYR 263 Cb 0.00 -2.20 0.02 0.00 0.42 0.00 0.00 41.96 40.20 1ppk s TYR 263 CO 0.00 0.42 0.48 0.99 0.64 0.00 0.00 175.55 178.08 1ppk s THR 264 N -0.12 5.03 -0.34 4.34 2.01 -1.26 0.18 115.64 125.48 1ppk s THR 264 Ca 0.15 -0.18 -0.21 0.00 0.31 0.00 0.00 61.69 61.76 1ppk s THR 264 Cb -0.13 -4.05 0.00 0.00 0.01 0.00 0.00 72.50 68.33 1ppk s THR 264 CO 0.04 -0.42 0.65 0.00 -0.69 0.00 0.00 174.62 174.20 1ppk s ALA 265 N 2.28 3.47 -0.12 7.40 0.00 0.03 -4.93 121.76 129.90 1ppk s ALA 265 Ca 0.15 -0.77 -0.00 0.00 0.00 0.00 0.00 51.96 51.34 1ppk s ALA 265 Cb -0.16 -3.18 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 1ppk s ALA 265 CO 0.15 -1.28 -0.11 0.99 0.00 0.00 0.00 175.76 175.50 1ppk s THR 266 N 2.73 3.24 -0.28 0.00 2.01 -1.26 -1.45 115.64 120.62 1ppk s THR 266 Ca 0.25 -0.61 -0.09 0.00 0.31 0.00 0.00 61.69 61.56 1ppk s THR 266 Cb -0.14 -2.36 -0.03 0.00 0.01 0.00 0.00 72.50 69.98 1ppk s THR 266 CO 0.14 0.53 0.13 -0.69 -0.69 0.00 0.00 174.62 174.04 1ppk s VAL 267 N 0.16 4.68 0.45 3.82 1.01 0.29 -4.90 120.40 125.91 1ppk s VAL 267 Ca -0.06 -0.17 -0.24 0.00 0.00 0.00 0.00 61.98 61.51 1ppk s VAL 267 Cb -0.15 -3.27 -0.07 0.00 0.00 0.00 0.00 36.38 32.89 1ppk s VAL 267 CO 0.04 0.22 1.26 -2.16 0.00 0.00 0.00 175.10 174.46 1ppk s PRO 268 N 1.65 3.74 0.57 2.72 0.04 -1.26 -1.25 135.00 141.22 1ppk s PRO 268 Ca 0.06 2.02 0.29 0.00 0.04 0.00 0.00 61.00 63.41 1ppk s PRO 268 Cb -0.16 -2.54 1.46 0.00 0.04 0.00 0.00 34.50 33.31 1ppk s PRO 268 CO 0.07 -0.63 1.89 0.78 0.04 0.00 0.00 177.00 179.14 1ppk h GLY 269 N 2.23 0.00 1.99 0.56 0.00 -1.71 -1.76 103.07 104.37 1ppk h GLY 269 Ca -0.50 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.77 1ppk h GLY 269 CO 0.61 0.00 -0.32 1.48 0.00 0.00 0.00 176.54 178.31 1ppk h SER 270 N 0.00 0.01 1.37 0.19 4.64 -1.90 -1.81 113.55 116.05 1ppk h SER 270 Ca 0.28 -0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.56 1ppk h SER 270 Cb 1.34 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1ppk h SER 270 CO -0.00 0.33 -0.15 -0.07 -0.87 0.00 0.00 176.83 176.07 1ppk h LEU 271 N 0.01 0.00 -0.03 5.97 3.38 -1.68 -3.09 115.31 119.87 1ppk h LEU 271 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ppk h LEU 271 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1ppk h LEU 271 CO 0.04 0.15 0.00 -0.38 0.09 0.00 0.00 178.44 178.34 1ppk n ILE 272 N -3.20 0.42 -2.89 1.22 5.41 -0.68 -4.33 119.36 115.30 1ppk n ILE 272 Ca 0.02 0.07 -0.43 0.00 1.00 0.00 0.00 62.75 63.41 1ppk n ILE 272 Cb 0.48 -0.70 -0.04 0.00 -0.71 0.00 0.00 39.64 38.67 1ppk n ILE 272 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1ppk s ASN 273 N -3.18 6.20 0.13 4.38 3.84 -1.17 0.84 114.94 125.99 1ppk s ASN 273 Ca 0.11 -0.93 -0.13 0.00 0.21 0.00 0.00 52.86 52.12 1ppk s ASN 273 Cb 0.15 -2.41 -0.03 0.00 -0.55 0.00 0.00 41.25 38.41 1ppk s ASN 273 CO 0.44 -1.36 1.52 0.22 -2.79 0.00 0.00 177.10 175.12 1ppk h TYR 274 N 9.48 0.90 0.00 0.43 3.20 -1.46 -3.47 116.97 126.05 1ppk h TYR 274 Ca -0.28 -0.21 0.00 0.00 3.14 0.00 0.00 58.73 61.38 1ppk h TYR 274 Cb 1.07 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.13 1ppk h TYR 274 CO 0.94 0.94 0.00 0.41 -1.64 0.00 0.00 178.16 178.81 1ppk n GLY 275 N -0.13 -0.14 3.65 1.82 0.00 -1.24 -4.90 105.19 104.24 1ppk n GLY 275 Ca -0.01 -1.71 -0.47 0.00 0.00 0.00 0.00 46.02 43.83 1ppk n GLY 275 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ppk n PRO 276 N -0.94 1.83 0.24 1.61 -0.02 -1.26 0.17 135.00 136.63 1ppk n PRO 276 Ca 0.00 0.66 0.16 0.00 -2.02 0.00 0.00 63.50 62.30 1ppk n PRO 276 Cb 0.00 -2.36 0.72 0.00 -0.02 0.00 0.00 33.50 31.84 1ppk n PRO 276 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1ppk h SER 277 N 5.07 0.00 -1.45 2.55 4.64 -1.23 -3.42 113.55 119.72 1ppk h SER 277 Ca -0.45 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.70 1ppk h SER 277 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1ppk h SER 277 CO 0.82 0.00 -0.22 0.61 -0.87 0.00 0.00 176.83 177.17 1ppk n GLY 278 N -0.23 0.08 2.87 -0.77 0.00 -1.26 -4.63 105.19 101.25 1ppk n GLY 278 Ca 0.00 -0.50 -0.06 0.00 0.00 0.00 0.00 46.02 45.46 1ppk n GLY 278 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ppk s ASP 279 N -2.71 -0.99 0.71 1.61 2.15 -1.26 -4.94 116.67 111.24 1ppk s ASP 279 Ca 0.04 -1.53 0.00 0.00 0.43 0.00 0.00 52.55 51.49 1ppk s ASP 279 Cb -0.02 1.60 0.00 0.00 -0.30 0.00 0.00 42.92 44.20 1ppk s ASP 279 CO 0.04 -0.12 0.00 0.61 -0.17 0.00 0.00 175.17 175.54 1ppk n GLY 280 N 3.53 0.34 0.81 2.66 0.00 -1.26 -3.95 105.19 107.33 1ppk n GLY 280 Ca 0.16 -0.81 0.08 0.00 0.00 0.00 0.00 46.02 45.45 1ppk n GLY 280 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ppk n SER 281 N 5.84 3.63 -4.94 1.61 3.41 -1.26 -4.90 113.62 117.02 1ppk n SER 281 Ca 0.00 -2.79 -0.21 0.00 -0.26 0.00 0.00 58.87 55.61 1ppk n SER 281 Cb 0.00 -0.47 -0.00 0.00 -0.26 0.00 0.00 64.21 63.48 1ppk n SER 281 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1ppk s THR 282 N -2.42 2.47 0.22 6.66 -4.23 -1.25 -4.27 115.64 112.81 1ppk s THR 282 Ca 0.37 -1.23 0.11 0.00 -1.18 0.00 0.00 61.69 59.77 1ppk s THR 282 Cb 0.29 -2.70 -0.05 0.00 1.34 0.00 0.00 72.50 71.39 1ppk s THR 282 CO 0.10 0.00 -0.22 0.00 -0.54 0.00 0.00 174.62 173.97 1ppk s LEU 284 N -2.95 4.44 0.41 0.00 2.96 0.13 -1.67 118.68 121.99 1ppk s LEU 284 Ca 0.24 0.84 -0.23 0.00 -0.22 0.00 0.00 54.13 54.76 1ppk s LEU 284 Cb -0.07 -2.57 -0.09 0.00 0.50 0.00 0.00 46.19 43.95 1ppk s LEU 284 CO 0.12 0.31 1.01 -0.83 -1.32 0.00 0.00 176.35 175.64 1ppk s GLY 285 N -1.21 2.62 0.06 7.98 0.00 -0.80 -1.51 107.32 114.46 1ppk s GLY 285 Ca 0.24 0.58 0.28 0.00 0.00 0.00 0.00 44.72 45.82 1ppk s GLY 285 CO 0.13 0.95 1.85 0.61 0.00 0.00 0.00 173.10 176.64 1ppk n GLY 286 N 0.02 -1.55 3.61 0.20 0.00 0.25 -4.66 105.19 103.05 1ppk n GLY 286 Ca 0.06 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 1ppk n GLY 286 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ppk s ILE 287 N -3.03 4.75 0.25 -0.61 1.01 -1.26 -0.70 121.20 121.60 1ppk s ILE 287 Ca 0.13 -0.04 -0.05 0.00 0.00 0.00 0.00 60.65 60.69 1ppk s ILE 287 Cb 0.17 -3.16 -0.02 0.00 0.01 0.00 0.00 42.46 39.46 1ppk s ILE 287 CO 0.56 0.43 0.32 -1.10 0.00 0.00 0.00 174.94 175.15 1ppk s GLN 288 N 0.62 1.49 0.44 2.79 -1.52 -0.41 -4.77 119.66 118.30 1ppk s GLN 288 Ca 0.04 -1.55 -0.24 0.00 -1.95 0.00 0.00 55.36 51.66 1ppk s GLN 288 Cb -0.13 0.37 -0.08 0.00 -0.22 0.00 0.00 33.01 32.96 1ppk s GLN 288 CO 0.01 -0.57 1.21 0.45 -0.25 0.00 0.00 175.29 176.15 1ppk s SER 289 N -3.14 6.21 -0.01 5.90 0.15 -1.26 -0.91 113.70 120.64 1ppk s SER 289 Ca 0.32 2.43 0.12 0.00 0.70 0.00 0.00 55.95 59.52 1ppk s SER 289 Cb 0.03 -2.62 0.34 0.00 -1.71 0.00 0.00 66.02 62.06 1ppk s SER 289 CO 0.14 -0.90 1.27 -0.46 1.20 0.00 0.00 173.24 174.49 1ppk n ASN 290 N -0.25 2.12 -2.37 5.45 6.94 -0.35 -4.64 115.26 122.15 1ppk n ASN 290 Ca 0.06 -2.02 -0.21 0.00 -0.02 0.00 0.00 54.58 52.39 1ppk n ASN 290 Cb 0.46 -0.27 -0.01 0.00 -2.36 0.00 0.00 39.78 37.60 1ppk n ASN 290 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1ppk n SER 291 N 0.61 -5.94 -0.08 0.53 7.64 -1.26 -2.89 113.62 112.23 1ppk n SER 291 Ca 0.13 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 60.00 1ppk n SER 291 Cb 0.34 -4.95 -0.00 0.00 -1.01 0.00 0.00 64.21 58.59 1ppk n SER 291 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ppk n GLY 292 N -0.99 0.50 0.07 0.23 0.00 -1.26 -4.96 105.19 98.77 1ppk n GLY 292 Ca -0.25 -0.56 0.09 0.00 0.00 0.00 0.00 46.02 45.31 1ppk n GLY 292 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ppk n ILE 293 N -2.93 0.98 -0.17 -0.61 -5.35 -1.14 -4.91 119.36 105.23 1ppk n ILE 293 Ca -0.01 0.29 0.00 0.00 -0.27 0.00 0.00 62.75 62.76 1ppk n ILE 293 Cb 0.06 -1.15 0.00 0.00 -1.74 0.00 0.00 39.64 36.80 1ppk n ILE 293 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ppk n GLY 294 N -0.17 0.62 3.37 3.28 0.00 -1.26 -5.03 105.19 105.98 1ppk n GLY 294 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 1ppk n GLY 294 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ppk s PHE 295 N -2.39 -0.36 0.23 1.61 -0.71 -1.26 -4.83 117.98 110.27 1ppk s PHE 295 Ca 0.00 0.32 0.00 0.00 -1.04 0.00 0.00 56.93 56.22 1ppk s PHE 295 Cb 0.00 0.31 -0.04 0.00 -1.21 0.00 0.00 43.02 42.08 1ppk s PHE 295 CO 0.00 -0.64 0.42 -1.12 -1.34 0.00 0.00 175.22 172.53 1ppk s SER 296 N -2.13 6.37 -0.31 1.98 0.01 -0.13 -4.86 113.70 114.62 1ppk s SER 296 Ca -0.04 0.38 -0.05 0.00 1.31 0.00 0.00 55.95 57.55 1ppk s SER 296 Cb -0.00 -2.00 0.04 0.00 0.21 0.00 0.00 66.02 64.26 1ppk s SER 296 CO -0.04 -0.09 0.05 -0.63 0.41 0.00 0.00 173.24 172.95 1ppk s ILE 297 N -1.96 3.48 -1.13 1.44 1.01 0.16 -0.97 121.20 123.24 1ppk s ILE 297 Ca 0.38 -1.13 -0.16 0.00 0.00 0.00 0.00 60.65 59.74 1ppk s ILE 297 Cb -0.11 -2.93 0.14 0.00 0.01 0.00 0.00 42.46 39.57 1ppk s ILE 297 CO 0.30 -0.08 1.39 -0.36 0.00 0.00 0.00 174.94 176.19 1ppk s PHE 298 N 1.37 3.22 0.00 3.97 0.40 0.60 -0.96 117.98 126.57 1ppk s PHE 298 Ca -0.02 -1.75 0.00 0.00 -0.60 0.00 0.00 56.93 54.56 1ppk s PHE 298 Cb -0.19 -4.40 0.00 0.00 0.51 0.00 0.00 43.02 38.94 1ppk s PHE 298 CO 0.01 -1.52 0.00 0.41 0.70 0.00 0.00 175.22 174.82 1ppk n GLY 299 N 4.90 -0.46 0.38 4.36 0.00 -1.07 -1.76 105.19 111.55 1ppk n GLY 299 Ca 0.34 -1.76 0.15 0.00 0.00 0.00 0.00 46.02 44.76 1ppk n GLY 299 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ppk h ASP 300 N 0.00 0.48 -0.83 1.61 3.45 -0.57 -0.61 116.42 119.95 1ppk h ASP 300 Ca 0.00 0.03 0.09 0.00 0.43 0.00 0.00 57.03 57.59 1ppk h ASP 300 Cb 0.00 -0.06 -0.07 0.00 -0.56 0.00 0.00 39.33 38.64 1ppk h ASP 300 CO 0.00 0.23 0.48 0.40 -1.57 0.00 0.00 179.24 178.78 1ppk h ILE 301 N 0.50 0.92 -0.07 0.35 1.08 -1.69 -0.25 117.51 118.35 1ppk h ILE 301 Ca 0.42 -0.28 -0.05 0.00 -0.39 0.00 0.00 64.86 64.56 1ppk h ILE 301 Cb 0.88 0.04 0.00 0.00 -3.07 0.00 0.00 36.82 34.67 1ppk h ILE 301 CO -0.16 0.15 -0.15 0.15 -0.69 0.00 0.00 178.15 177.44 1ppk h PHE 302 N 0.81 0.30 0.00 1.37 3.57 -1.47 -3.30 116.94 118.21 1ppk h PHE 302 Ca 0.40 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.77 1ppk h PHE 302 Cb 0.36 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.04 1ppk h PHE 302 CO -0.06 0.76 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.62 1ppk h LEU 303 N -0.25 0.00 -1.38 0.59 3.38 -0.95 -1.95 115.31 114.76 1ppk h LEU 303 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ppk h LEU 303 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1ppk h LEU 303 CO 0.03 0.09 0.00 0.29 0.09 0.00 0.00 178.44 178.94 1ppk n LYS 304 N -4.16 0.15 0.00 1.13 5.02 -0.14 -1.71 118.16 118.47 1ppk n LYS 304 Ca -0.03 0.61 0.11 0.00 -2.02 0.00 0.00 58.31 56.98 1ppk n LYS 304 Cb 0.17 -1.96 -0.02 0.00 -0.02 0.00 0.00 35.03 33.19 1ppk n LYS 304 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1ppk n SER 305 N -2.28 0.76 -4.36 4.39 3.41 -0.73 -4.78 113.62 110.02 1ppk n SER 305 Ca -0.01 -0.64 -0.19 0.00 -0.26 0.00 0.00 58.87 57.77 1ppk n SER 305 Cb 0.06 0.89 -0.10 0.00 -0.26 0.00 0.00 64.21 64.80 1ppk n SER 305 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1ppk s GLN 306 N -3.07 1.38 -0.20 4.33 -1.52 -0.69 -2.47 119.66 117.41 1ppk s GLN 306 Ca 0.07 -1.65 -0.07 0.00 -1.95 0.00 0.00 55.36 51.76 1ppk s GLN 306 Cb 0.16 -1.06 -0.04 0.00 -0.22 0.00 0.00 33.01 31.86 1ppk s GLN 306 CO 0.83 0.11 0.06 -0.47 -0.25 0.00 0.00 175.29 175.56 1ppk s TYR 307 N -3.04 3.17 -0.12 0.91 6.14 0.93 -4.61 117.35 120.72 1ppk s TYR 307 Ca 0.25 -0.13 0.02 0.00 0.64 0.00 0.00 57.07 57.85 1ppk s TYR 307 Cb 0.01 -2.13 0.00 0.00 0.42 0.00 0.00 41.96 40.27 1ppk s TYR 307 CO 0.08 -0.05 -0.20 0.08 0.64 0.00 0.00 175.55 176.10 1ppk s VAL 308 N 0.82 2.31 -0.20 3.14 1.01 -0.49 -2.29 120.40 124.69 1ppk s VAL 308 Ca 0.03 -0.92 -0.09 0.00 0.00 0.00 0.00 61.98 61.01 1ppk s VAL 308 Cb -0.14 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1ppk s VAL 308 CO 0.02 0.54 0.10 -0.69 0.00 0.00 0.00 175.10 175.08 1ppk s VAL 309 N 0.54 5.02 -0.42 2.92 1.01 0.59 -0.31 120.40 129.75 1ppk s VAL 309 Ca -0.13 0.05 -0.10 0.00 0.00 0.00 0.00 61.98 61.81 1ppk s VAL 309 Cb -0.17 -3.30 0.07 0.00 0.00 0.00 0.00 36.38 32.99 1ppk s VAL 309 CO 0.04 0.42 0.26 -0.36 0.00 0.00 0.00 175.10 175.46 1ppk s PHE 310 N 0.62 3.32 -0.23 5.22 0.40 0.21 -0.75 117.98 126.77 1ppk s PHE 310 Ca 0.05 -1.43 -0.05 0.00 -0.60 0.00 0.00 56.93 54.90 1ppk s PHE 310 Cb -0.13 -2.90 -0.02 0.00 0.51 0.00 0.00 43.02 40.49 1ppk s PHE 310 CO 0.01 -0.82 0.00 0.34 0.70 0.00 0.00 175.22 175.45 1ppk s ASP 311 N 2.07 4.64 0.50 1.36 2.15 -0.11 -1.44 116.67 125.84 1ppk s ASP 311 Ca 0.03 -0.34 0.33 0.00 0.43 0.00 0.00 52.55 53.01 1ppk s ASP 311 Cb -0.23 -1.81 1.54 0.00 -0.30 0.00 0.00 42.92 42.12 1ppk s ASP 311 CO 0.03 -0.03 2.00 0.77 -0.17 0.00 0.00 175.17 177.77 1ppk h SER 312 N 8.16 0.00 -3.53 -0.34 4.64 -1.41 -0.19 113.55 120.88 1ppk h SER 312 Ca -0.40 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.33 1ppk h SER 312 Cb 1.16 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.16 1ppk h SER 312 CO 0.59 0.00 0.72 -1.81 -0.87 0.00 0.00 176.83 175.46 1ppk s ASP 313 N -5.14 6.50 0.00 4.97 -0.00 -1.26 -4.00 116.67 117.73 1ppk s ASP 313 Ca -0.00 0.12 0.00 0.00 -0.00 0.00 0.00 52.55 52.67 1ppk s ASP 313 Cb 0.10 -2.49 0.00 0.00 -0.00 0.00 0.00 42.92 40.53 1ppk s ASP 313 CO 0.45 -1.19 0.00 0.61 -0.00 0.00 0.00 175.17 175.04 1ppk n GLY 314 N 4.97 2.22 3.75 0.21 0.00 -1.26 -3.76 105.19 111.31 1ppk n GLY 314 Ca 0.07 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 1ppk n GLY 314 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ppk s PRO 315 N 0.00 1.28 0.20 1.61 0.04 -1.26 -4.96 135.00 131.91 1ppk s PRO 315 Ca 0.00 0.61 -0.16 0.00 0.04 0.00 0.00 61.00 61.49 1ppk s PRO 315 Cb 0.00 -1.83 0.02 0.00 0.04 0.00 0.00 34.50 32.73 1ppk s PRO 315 CO 0.00 -2.17 0.50 1.14 0.04 0.00 0.00 177.00 176.50 1ppk s GLN 316 N -5.07 1.38 -0.07 4.56 -2.07 -0.08 -2.45 119.66 115.87 1ppk s GLN 316 Ca 0.63 -0.95 0.05 0.00 -1.82 0.00 0.00 55.36 53.27 1ppk s GLN 316 Cb -0.17 0.50 -0.01 0.00 -1.09 0.00 0.00 33.01 32.25 1ppk s GLN 316 CO 0.56 -0.58 -0.23 -0.51 -1.32 0.00 0.00 175.29 173.20 1ppk s LEU 317 N -2.90 2.15 0.01 2.60 1.43 -0.44 -0.94 118.68 120.59 1ppk s LEU 317 Ca 0.12 -0.49 0.03 0.00 -1.03 0.00 0.00 54.13 52.75 1ppk s LEU 317 Cb -0.01 -1.41 -0.03 0.00 0.03 0.00 0.00 46.19 44.77 1ppk s LEU 317 CO -0.01 0.23 -0.06 -0.83 0.23 0.00 0.00 176.35 175.90 1ppk s GLY 318 N -0.05 1.76 0.01 -3.19 0.00 0.07 -0.20 107.32 105.74 1ppk s GLY 318 Ca -0.07 -1.03 0.05 0.00 0.00 0.00 0.00 44.72 43.67 1ppk s GLY 318 CO 0.05 -0.90 -0.15 -1.36 0.00 0.00 0.00 173.10 170.74 1ppk s PHE 319 N -1.02 1.33 0.06 1.90 0.08 0.26 -0.30 117.98 120.30 1ppk s PHE 319 Ca 0.17 -0.30 -0.22 0.00 0.12 0.00 0.00 56.93 56.70 1ppk s PHE 319 Cb -0.11 -0.82 0.05 0.00 -0.57 0.00 0.00 43.02 41.57 1ppk s PHE 319 CO 0.08 0.01 0.53 0.00 -0.10 0.00 0.00 175.22 175.74 1ppk s ALA 320 N -0.59 -1.34 0.38 5.36 0.00 -0.97 -1.09 121.76 123.50 1ppk s ALA 320 Ca 0.04 0.56 -0.27 0.00 0.00 0.00 0.00 51.96 52.29 1ppk s ALA 320 Cb -0.07 0.46 -0.09 0.00 0.00 0.00 0.00 23.12 23.42 1ppk s ALA 320 CO 0.00 -0.55 1.24 -2.14 0.00 0.00 0.00 175.76 174.32 1ppk s PRO 321 N -2.68 4.12 0.38 0.00 0.02 -1.26 -0.05 135.00 135.53 1ppk s PRO 321 Ca -0.04 2.03 -0.27 0.00 0.02 0.00 0.00 61.00 62.74 1ppk s PRO 321 Cb -0.00 -2.82 -0.09 0.00 0.02 0.00 0.00 34.50 31.60 1ppk s PRO 321 CO -0.04 -0.32 1.31 -0.65 -0.33 0.00 0.00 177.00 176.98 1ppk s GLN 322 N -2.11 4.09 0.00 5.54 -0.21 -1.03 -1.46 119.66 124.48 1ppk s GLN 322 Ca 0.54 2.19 0.29 0.00 0.02 0.00 0.00 55.36 58.41 1ppk s GLN 322 Cb -0.35 -2.86 1.37 0.00 1.00 0.00 0.00 33.01 32.16 1ppk s GLN 322 CO 0.45 -0.40 1.92 0.00 -2.12 0.00 0.00 175.29 175.14