#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x28 s SER 5 N 0.00 4.82 -1.22 8.00 0.15 -1.26 0.28 113.70 124.46 2x28 s SER 5 Ca 0.00 -0.02 -0.12 0.00 0.70 0.00 0.00 55.95 56.52 2x28 s SER 5 Cb 0.00 -1.43 0.18 0.00 -1.71 0.00 0.00 66.02 63.06 2x28 s SER 5 CO 0.00 0.31 1.57 0.00 1.20 0.00 0.00 173.24 176.31 2x28 h GLU 7 N 6.57 0.48 -4.96 0.00 5.08 -1.96 -3.40 114.58 116.39 2x28 h GLU 7 Ca 0.33 -0.69 -0.69 0.00 -1.00 0.00 0.00 59.36 57.31 2x28 h GLU 7 Cb 0.78 0.24 -0.18 0.00 0.50 0.00 0.00 28.75 30.09 2x28 h GLU 7 CO 1.36 1.31 -0.15 0.99 -1.00 0.00 0.00 179.01 181.52 2x28 s THR 8 N -2.88 5.04 0.27 1.13 2.01 -1.26 -4.99 115.64 114.96 2x28 s THR 8 Ca -0.07 -0.27 -0.29 0.00 0.31 0.00 0.00 61.69 61.37 2x28 s THR 8 Cb 0.06 -4.07 -0.14 0.00 0.01 0.00 0.00 72.50 68.36 2x28 s THR 8 CO 0.91 -0.45 1.08 -0.62 -0.69 0.00 0.00 174.62 174.85 2x28 n GLU 9 N 5.72 1.41 0.00 4.92 1.02 -1.26 -1.58 120.64 130.87 2x28 n GLU 9 Ca -0.06 0.50 0.00 0.00 -0.02 0.00 0.00 57.16 57.57 2x28 n GLU 9 Cb 0.47 -1.92 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 2x28 n GLU 9 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2x28 n GLY 10 N 1.42 2.96 1.29 0.62 0.00 0.52 -4.91 105.19 107.10 2x28 n GLY 10 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 2x28 n GLY 10 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2x28 n SER 11 N 0.00 0.34 -3.82 1.61 7.64 -0.61 -4.94 113.62 113.84 2x28 n SER 11 Ca 0.00 -1.32 -0.12 0.00 1.01 0.00 0.00 58.87 58.44 2x28 n SER 11 Cb 0.00 -0.25 -0.10 0.00 -1.01 0.00 0.00 64.21 62.86 2x28 n SER 11 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2x28 s SER 12 N -2.43 -0.09 0.09 6.43 0.15 -1.26 -1.24 113.70 115.36 2x28 s SER 12 Ca 0.23 -0.02 0.08 0.00 0.70 0.00 0.00 55.95 56.95 2x28 s SER 12 Cb -0.01 0.28 -0.03 0.00 -1.71 0.00 0.00 66.02 64.55 2x28 s SER 12 CO 0.15 -0.37 -0.22 0.27 1.20 0.00 0.00 173.24 174.28 2x28 s ILE 13 N -1.18 1.81 0.17 6.45 -4.36 0.16 -4.93 121.20 119.31 2x28 s ILE 13 Ca -0.13 -1.47 0.00 0.00 -0.26 0.00 0.00 60.65 58.80 2x28 s ILE 13 Cb -0.06 -1.61 -0.04 0.00 1.25 0.00 0.00 42.46 41.99 2x28 s ILE 13 CO 0.02 0.06 0.04 -0.94 0.24 0.00 0.00 174.94 174.37 2x28 s SER 14 N -1.68 0.80 0.12 4.36 1.04 -1.26 -0.58 113.70 116.49 2x28 s SER 14 Ca 0.08 -1.22 -0.10 0.00 0.48 0.00 0.00 55.95 55.20 2x28 s SER 14 Cb -0.10 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.23 2x28 s SER 14 CO 0.04 -0.66 0.24 -0.36 0.98 0.00 0.00 173.24 173.48 2x28 s PHE 15 N -3.85 0.19 -0.03 5.02 0.08 -0.19 -4.95 117.98 114.25 2x28 s PHE 15 Ca 0.26 -0.59 0.03 0.00 0.12 0.00 0.00 56.93 56.76 2x28 s PHE 15 Cb 0.07 -0.02 0.00 0.00 -0.57 0.00 0.00 43.02 42.50 2x28 s PHE 15 CO 0.04 -0.62 -0.13 0.99 -0.10 0.00 0.00 175.22 175.41 2x28 s THR 16 N -3.89 1.09 -0.37 0.64 2.01 -1.26 -1.07 115.64 112.80 2x28 s THR 16 Ca 0.08 -0.53 -0.14 0.00 0.31 0.00 0.00 61.69 61.42 2x28 s THR 16 Cb 0.04 -0.95 -0.00 0.00 0.01 0.00 0.00 72.50 71.59 2x28 s THR 16 CO -0.08 0.33 0.27 -0.69 -0.69 0.00 0.00 174.62 173.75 2x28 s VAL 17 N 0.14 5.27 -0.02 3.82 1.01 -0.01 -4.93 120.40 125.68 2x28 s VAL 17 Ca -0.04 -0.37 0.06 0.00 0.00 0.00 0.00 61.98 61.64 2x28 s VAL 17 Cb -0.10 -3.80 -0.10 0.00 0.00 0.00 0.00 36.38 32.39 2x28 s VAL 17 CO 0.01 -0.12 0.12 -1.84 0.00 0.00 0.00 175.10 173.27 2x28 n GLU 18 N 5.13 0.66 -4.50 2.72 -0.00 -1.26 -0.99 120.64 122.40 2x28 n GLU 18 Ca -0.12 -0.05 -0.22 0.00 -0.00 0.00 0.00 57.16 56.77 2x28 n GLU 18 Cb 0.49 -1.15 -0.14 0.00 -0.00 0.00 0.00 31.44 30.64 2x28 n GLU 18 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2x28 s LYS 19 N -2.40 1.12 0.40 3.44 1.02 -1.26 -4.85 119.74 117.21 2x28 s LYS 19 Ca -0.02 -0.77 -0.25 0.00 0.02 0.00 0.00 55.97 54.94 2x28 s LYS 19 Cb 0.04 -1.15 -0.11 0.00 -0.52 0.00 0.00 37.83 36.08 2x28 s LYS 19 CO 0.26 0.29 1.11 0.00 -0.92 0.00 0.00 175.35 176.10 2x28 n ALA 20 N 2.04 0.55 -0.92 5.17 0.00 -1.26 -1.25 120.51 124.83 2x28 n ALA 20 Ca -0.17 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2x28 n ALA 20 Cb 0.54 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.85 2x28 n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x28 n GLY 21 N 1.04 0.76 3.91 0.00 0.00 0.25 -4.98 105.19 106.18 2x28 n GLY 21 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 2x28 n GLY 21 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2x28 s HIS 22 N -3.23 3.48 0.15 1.61 3.76 -0.38 -4.81 115.29 115.86 2x28 s HIS 22 Ca 0.00 0.70 0.06 0.00 -0.15 0.00 0.00 55.06 55.68 2x28 s HIS 22 Cb 0.00 -2.34 -0.04 0.00 1.11 0.00 0.00 32.58 31.31 2x28 s HIS 22 CO 0.00 -0.34 -0.14 0.14 -0.85 0.00 0.00 174.74 173.55 2x28 s VAL 23 N -2.73 1.46 -0.04 -0.90 -7.23 -1.26 -2.62 120.40 107.08 2x28 s VAL 23 Ca 0.48 -1.91 0.02 0.00 -1.81 0.00 0.00 61.98 58.76 2x28 s VAL 23 Cb -0.10 -1.74 0.01 0.00 0.56 0.00 0.00 36.38 35.11 2x28 s VAL 23 CO 0.44 -0.50 -0.10 -0.69 -0.31 0.00 0.00 175.10 173.94 2x28 s VAL 24 N -2.51 0.93 -0.06 1.32 1.01 -0.26 -4.95 120.40 115.88 2x28 s VAL 24 Ca 0.14 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.77 2x28 s VAL 24 Cb -0.03 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 2x28 s VAL 24 CO 0.04 0.30 -0.21 -0.13 0.00 0.00 0.00 175.10 175.10 2x28 s ARG 25 N 0.46 2.61 0.20 2.72 0.52 -1.26 -1.04 118.95 123.17 2x28 s ARG 25 Ca -0.09 -0.83 0.01 0.00 -0.52 0.00 0.00 55.73 54.30 2x28 s ARG 25 Cb -0.12 -2.26 -0.05 0.00 0.52 0.00 0.00 34.95 33.03 2x28 s ARG 25 CO 0.02 0.44 0.05 -0.59 0.02 0.00 0.00 175.30 175.24 2x28 s PHE 26 N -0.28 1.29 -0.07 -0.53 -0.12 -0.46 -4.69 117.98 113.13 2x28 s PHE 26 Ca 0.00 -1.13 0.03 0.00 -0.05 0.00 0.00 56.93 55.78 2x28 s PHE 26 Cb -0.13 -0.73 0.01 0.00 -0.63 0.00 0.00 43.02 41.54 2x28 s PHE 26 CO 0.03 -0.33 -0.14 1.21 -0.05 0.00 0.00 175.22 175.94 2x28 s ASN 27 N -3.21 2.00 -0.39 1.98 3.84 0.14 -0.94 114.94 118.37 2x28 s ASN 27 Ca 0.30 -0.34 -0.20 0.00 0.21 0.00 0.00 52.86 52.83 2x28 s ASN 27 Cb 0.07 -0.89 0.01 0.00 -0.55 0.00 0.00 41.25 39.89 2x28 s ASN 27 CO 0.08 0.06 0.59 0.00 -2.79 0.00 0.00 177.10 175.04 2x28 s PRO 29 N 2.62 1.15 0.63 0.00 0.04 -1.22 -0.91 135.00 137.31 2x28 s PRO 29 Ca 0.21 0.65 0.29 0.00 0.04 0.00 0.00 61.00 62.20 2x28 s PRO 29 Cb -0.15 -1.81 1.58 0.00 0.04 0.00 0.00 34.50 34.16 2x28 s PRO 29 CO 0.16 -2.27 1.93 0.66 0.04 0.00 0.00 177.00 177.51 2x28 h SER 30 N -1.56 0.00 1.61 6.66 4.64 -1.80 -0.06 113.55 123.04 2x28 h SER 30 Ca -0.51 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.74 2x28 h SER 30 Cb 1.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 2x28 h SER 30 CO 0.57 0.00 -0.39 0.00 -0.87 0.00 0.00 176.83 176.14 2x28 h THR 31 N 0.00 0.61 -1.52 2.95 1.03 -1.93 -3.37 112.91 110.68 2x28 h THR 31 Ca 0.08 -1.87 -0.46 0.00 -0.01 0.00 0.00 66.41 64.15 2x28 h THR 31 Cb 0.83 2.29 -0.33 0.00 -1.07 0.00 0.00 68.15 69.87 2x28 h THR 31 CO -0.00 0.35 -0.98 0.18 -0.01 0.00 0.00 175.52 175.06 2x28 n LEU 32 N -3.18 -0.38 0.18 0.00 4.77 -0.19 -4.48 117.00 113.73 2x28 n LEU 32 Ca 0.02 -4.46 0.09 0.00 -0.03 0.00 0.00 56.01 51.63 2x28 n LEU 32 Cb 0.68 0.71 0.10 0.00 -2.33 0.00 0.00 43.42 42.58 2x28 n LEU 32 CO 0.39 2.11 0.60 -0.08 -1.33 0.00 0.00 177.39 179.08 2x28 h GLU 33 N 3.71 0.00 -5.31 3.23 4.81 -0.61 -3.24 114.58 117.16 2x28 h GLU 33 Ca 0.03 0.00 -0.61 0.00 -0.13 0.00 0.00 59.36 58.65 2x28 h GLU 33 Cb 0.94 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.19 2x28 h GLU 33 CO 0.42 0.16 -0.27 -2.00 -0.73 0.00 0.00 179.01 176.60 2x28 s GLU 34 N -3.14 4.13 0.33 1.92 2.12 0.15 -4.56 118.70 119.65 2x28 s GLU 34 Ca 0.05 0.08 -0.24 0.00 0.36 0.00 0.00 54.97 55.21 2x28 s GLU 34 Cb 0.06 -3.56 -0.10 0.00 0.26 0.00 0.00 34.13 30.80 2x28 s GLU 34 CO 0.71 -0.05 0.91 -1.50 -0.54 0.00 0.00 175.26 174.78 2x28 s ILE 35 N 1.37 4.30 -0.09 -3.70 2.07 -1.26 0.33 121.20 124.22 2x28 s ILE 35 Ca 0.16 1.68 0.03 0.00 -1.41 0.00 0.00 60.65 61.11 2x28 s ILE 35 Cb -0.15 -3.92 0.00 0.00 0.13 0.00 0.00 42.46 38.53 2x28 s ILE 35 CO 0.07 0.07 -0.20 -0.75 -1.91 0.00 0.00 174.94 172.22 2x28 s LYS 36 N -2.24 2.63 0.64 3.50 2.20 0.26 -3.67 119.74 123.06 2x28 s LYS 36 Ca 0.51 -0.74 -0.18 0.00 -0.36 0.00 0.00 55.97 55.21 2x28 s LYS 36 Cb -0.17 -2.02 -0.01 0.00 -1.51 0.00 0.00 37.83 34.12 2x28 s LYS 36 CO 0.22 0.14 1.23 -2.14 -0.36 0.00 0.00 175.35 174.43 2x28 s PRO 37 N 0.43 2.68 0.24 4.03 0.02 -1.26 -0.96 135.00 140.17 2x28 s PRO 37 Ca -0.17 1.87 -0.31 0.00 0.02 0.00 0.00 61.00 62.40 2x28 s PRO 37 Cb -0.17 -1.89 -0.13 0.00 0.02 0.00 0.00 34.50 32.33 2x28 s PRO 37 CO 0.07 -1.45 1.44 0.00 -0.33 0.00 0.00 177.00 176.74 2x28 n ALA 38 N -1.94 1.29 -2.04 -1.55 0.00 -1.24 -4.83 120.51 110.20 2x28 n ALA 38 Ca 0.14 0.41 -0.42 0.00 0.00 0.00 0.00 53.44 53.57 2x28 n ALA 38 Cb 0.49 -2.30 -0.03 0.00 0.00 0.00 0.00 19.45 17.61 2x28 n ALA 38 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2x28 s TYR 39 N 0.03 3.19 -0.04 0.00 6.14 -1.26 -4.72 117.35 120.71 2x28 s TYR 39 Ca 0.69 1.02 -0.04 0.00 0.64 0.00 0.00 57.07 59.38 2x28 s TYR 39 Cb -0.64 -3.70 0.01 0.00 0.42 0.00 0.00 41.96 38.05 2x28 s TYR 39 CO 0.48 -2.36 0.11 -1.21 0.64 0.00 0.00 175.55 173.21 2x28 s GLU 40 N 0.44 0.17 0.60 4.97 0.41 -1.26 -5.08 118.70 118.94 2x28 s GLU 40 Ca 0.61 0.07 -0.02 0.00 -0.41 0.00 0.00 54.97 55.23 2x28 s GLU 40 Cb -0.38 0.08 0.04 0.00 -1.78 0.00 0.00 34.13 32.08 2x28 s GLU 40 CO 0.35 -0.03 0.85 0.00 -0.49 0.00 0.00 175.26 175.95 2x28 s ALA 41 N -0.13 3.60 0.00 5.21 0.00 -1.26 -3.14 121.76 126.04 2x28 s ALA 41 Ca -0.02 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.82 2x28 s ALA 41 Cb -0.02 -2.30 0.00 0.00 0.00 0.00 0.00 23.12 20.81 2x28 s ALA 41 CO 0.00 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.27 2x28 n GLY 42 N -2.53 3.16 0.00 0.00 0.00 -1.26 -1.52 105.19 103.03 2x28 n GLY 42 Ca 0.07 0.11 0.09 0.00 0.00 0.00 0.00 46.02 46.29 2x28 n GLY 42 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2x28 n ASP 43 N 4.22 0.00 -0.73 1.61 9.92 -1.26 -2.77 116.55 127.53 2x28 n ASP 43 Ca 0.00 0.34 0.12 0.00 -0.53 0.00 0.00 54.79 54.72 2x28 n ASP 43 Cb 0.00 -0.43 0.12 0.00 -0.64 0.00 0.00 41.12 40.17 2x28 n ASP 43 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2x28 n SER 44 N -1.43 2.46 -4.76 -2.24 7.64 -0.58 -4.86 113.62 109.84 2x28 n SER 44 Ca 0.06 -1.75 -0.41 0.00 1.01 0.00 0.00 58.87 57.78 2x28 n SER 44 Cb 0.19 0.16 -0.02 0.00 -1.01 0.00 0.00 64.21 63.53 2x28 n SER 44 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2x28 s THR 45 N -2.18 2.59 0.11 0.44 2.01 -1.12 -4.66 115.64 112.83 2x28 s THR 45 Ca 0.26 0.56 0.09 0.00 0.31 0.00 0.00 61.69 62.91 2x28 s THR 45 Cb 0.19 -3.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 2x28 s THR 45 CO 0.40 0.12 -0.22 -0.54 -0.69 0.00 0.00 174.62 173.69 2x28 s LYS 46 N -1.45 1.68 0.23 4.92 1.02 -1.26 -1.01 119.74 123.87 2x28 s LYS 46 Ca 0.52 -1.21 0.10 0.00 0.02 0.00 0.00 55.97 55.40 2x28 s LYS 46 Cb -0.41 -2.03 -0.05 0.00 -0.52 0.00 0.00 37.83 34.82 2x28 s LYS 46 CO 0.52 0.48 -0.18 0.14 -0.92 0.00 0.00 175.35 175.39 2x28 s VAL 47 N -1.05 2.11 0.32 3.17 -7.23 0.65 -4.52 120.40 113.84 2x28 s VAL 47 Ca 0.16 -2.22 -0.15 0.00 -1.81 0.00 0.00 61.98 57.95 2x28 s VAL 47 Cb -0.10 -2.12 -0.09 0.00 0.56 0.00 0.00 36.38 34.63 2x28 s VAL 47 CO 0.07 -0.42 0.74 0.00 -0.31 0.00 0.00 175.10 175.18 2x28 n THR 49 N -0.31 0.06 -4.22 0.00 -2.24 -0.14 -0.82 114.28 106.61 2x28 n THR 49 Ca 0.03 -0.53 -0.17 0.00 -2.27 0.00 0.00 64.05 61.12 2x28 n THR 49 Cb 0.53 1.10 -0.11 0.00 -2.10 0.00 0.00 70.33 69.75 2x28 n THR 49 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2x28 s THR 50 N -0.57 1.20 0.38 4.28 -4.23 -1.25 -4.97 115.64 110.47 2x28 s THR 50 Ca 0.08 -1.70 0.07 0.00 -1.18 0.00 0.00 61.69 58.96 2x28 s THR 50 Cb 0.05 -1.48 0.29 0.00 1.34 0.00 0.00 72.50 72.71 2x28 s THR 50 CO 0.08 -0.47 1.97 0.00 -0.54 0.00 0.00 174.62 175.67 2x28 h ALA 51 N 3.52 1.75 0.00 3.99 0.00 -1.94 -2.39 119.26 124.18 2x28 h ALA 51 Ca -0.39 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2x28 h ALA 51 Cb 1.19 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2x28 h ALA 51 CO 0.52 0.15 0.00 -0.40 0.00 0.00 0.00 179.25 179.51 2x28 n ASP 52 N -4.48 0.00 -1.22 0.00 5.75 -1.26 -4.85 116.55 110.49 2x28 n ASP 52 Ca 0.10 -0.19 -0.15 0.00 -0.01 0.00 0.00 54.79 54.54 2x28 n ASP 52 Cb 0.23 -0.25 -0.05 0.00 -1.03 0.00 0.00 41.12 40.02 2x28 n ASP 52 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2x28 h SER 54 N 0.00 0.00 -4.53 0.00 4.64 -1.90 -3.44 113.55 108.31 2x28 h SER 54 Ca -0.31 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.31 2x28 h SER 54 Cb 1.01 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.81 2x28 h SER 54 CO 0.43 0.00 -0.88 0.20 -0.87 0.00 0.00 176.83 175.71 2x28 s ASN 55 N -5.04 3.15 0.03 4.97 -0.87 -1.26 -5.06 114.94 110.87 2x28 s ASN 55 Ca 0.09 -0.45 -0.00 0.00 -1.57 0.00 0.00 52.86 50.93 2x28 s ASN 55 Cb 0.10 -0.39 -0.03 0.00 -0.02 0.00 0.00 41.25 40.91 2x28 s ASN 55 CO 0.62 0.32 -0.03 -1.61 -2.57 0.00 0.00 177.10 173.83 2x28 s GLU 56 N -0.66 0.45 0.14 -0.60 2.02 -1.26 -0.96 118.70 117.82 2x28 s GLU 56 Ca 0.10 -0.90 -0.11 0.00 0.02 0.00 0.00 54.97 54.08 2x28 s GLU 56 Cb -0.10 0.16 0.01 0.00 0.10 0.00 0.00 34.13 34.29 2x28 s GLU 56 CO -0.01 -0.08 0.31 0.00 0.02 0.00 0.00 175.26 175.51 2x28 s ALA 57 N -2.64 -0.39 0.15 5.21 0.00 -0.37 -4.86 121.76 118.87 2x28 s ALA 57 Ca -0.05 -0.54 -0.34 0.00 0.00 0.00 0.00 51.96 51.03 2x28 s ALA 57 Cb -0.01 0.71 -0.14 0.00 0.00 0.00 0.00 23.12 23.68 2x28 s ALA 57 CO -0.05 -0.62 1.59 0.00 0.00 0.00 0.00 175.76 176.67 2x28 n ALA 58 N -0.19 1.34 -0.27 0.00 0.00 -1.26 -0.26 120.51 119.88 2x28 n ALA 58 Ca -0.12 0.44 0.07 0.00 0.00 0.00 0.00 53.44 53.83 2x28 n ALA 58 Cb 0.63 -2.36 0.19 0.00 0.00 0.00 0.00 19.45 17.91 2x28 n ALA 58 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2x28 h LEU 59 N 6.09 -0.26 -2.04 0.00 5.85 -1.37 -1.38 115.31 122.20 2x28 h LEU 59 Ca -0.45 0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.52 2x28 h LEU 59 Cb 1.25 0.32 -0.01 0.00 0.37 0.00 0.00 40.66 42.60 2x28 h LEU 59 CO 0.89 -0.17 0.35 0.07 -0.34 0.00 0.00 178.44 179.24 2x28 h LYS 60 N 0.13 0.00 -0.01 1.25 -0.00 -1.79 0.26 116.57 116.41 2x28 h LYS 60 Ca 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 61.10 2x28 h LYS 60 Cb 0.82 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.05 2x28 h LYS 60 CO -0.66 0.00 -0.49 -0.25 -0.00 0.00 0.00 179.45 178.04 2x28 n ASP 61 N -3.30 1.60 -0.08 7.07 8.00 -0.53 -4.12 116.55 125.19 2x28 n ASP 61 Ca 0.02 -1.25 -0.14 0.00 0.71 0.00 0.00 54.79 54.12 2x28 n ASP 61 Cb 0.46 0.46 -0.07 0.00 -0.02 0.00 0.00 41.12 41.94 2x28 n ASP 61 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2x28 n VAL 62 N -0.42 0.95 -3.60 2.53 0.31 0.13 -4.94 118.33 113.29 2x28 n VAL 62 Ca 0.09 -0.31 -0.29 0.00 -0.01 0.00 0.00 64.34 63.82 2x28 n VAL 62 Cb 0.42 -1.34 -0.15 0.00 -0.91 0.00 0.00 33.84 31.85 2x28 n VAL 62 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2x28 s LEU 63 N -6.35 0.99 0.33 7.52 1.43 0.67 -5.04 118.68 118.22 2x28 s LEU 63 Ca -0.23 -1.33 0.12 0.00 -1.03 0.00 0.00 54.13 51.66 2x28 s LEU 63 Cb 0.07 -0.48 1.00 0.00 0.03 0.00 0.00 46.19 46.81 2x28 s LEU 63 CO 0.35 -0.43 1.68 0.11 0.23 0.00 0.00 176.35 178.30 2x28 h LYS 64 N 8.32 0.39 -0.04 1.70 1.79 -1.78 -2.79 116.57 124.16 2x28 h LYS 64 Ca -0.18 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.26 2x28 h LYS 64 Cb 1.02 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.58 2x28 h LYS 64 CO 0.44 0.26 -0.13 -1.13 -1.08 0.00 0.00 179.45 177.80 2x28 n SER 65 N -5.00 2.34 -4.91 0.86 3.41 -1.26 -4.93 113.62 104.12 2x28 n SER 65 Ca 0.30 -3.34 -0.27 0.00 -0.26 0.00 0.00 58.87 55.30 2x28 n SER 65 Cb 0.89 -0.48 -0.01 0.00 -0.26 0.00 0.00 64.21 64.34 2x28 n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2x28 s ALA 66 N -2.99 3.50 0.06 7.33 0.00 -1.05 -1.81 121.76 126.79 2x28 s ALA 66 Ca 0.35 -0.56 0.03 0.00 0.00 0.00 0.00 51.96 51.78 2x28 s ALA 66 Cb 0.32 -2.45 -0.03 0.00 0.00 0.00 0.00 23.12 20.96 2x28 s ALA 66 CO 0.01 -0.12 -0.09 -1.54 0.00 0.00 0.00 175.76 174.02 2x28 s SER 67 N -3.78 1.09 -0.16 0.00 1.04 -0.09 -4.95 113.70 106.86 2x28 s SER 67 Ca 0.46 -0.64 0.01 0.00 0.48 0.00 0.00 55.95 56.26 2x28 s SER 67 Cb -0.10 0.02 0.01 0.00 0.10 0.00 0.00 66.02 66.05 2x28 s SER 67 CO 0.38 -0.22 -0.20 -0.22 0.98 0.00 0.00 173.24 173.97 2x28 s LEU 68 N -1.86 2.21 0.25 2.42 2.96 -1.26 -1.98 118.68 121.42 2x28 s LEU 68 Ca -0.05 -0.59 0.08 0.00 -0.22 0.00 0.00 54.13 53.35 2x28 s LEU 68 Cb -0.08 -1.49 -0.04 0.00 0.50 0.00 0.00 46.19 45.09 2x28 s LEU 68 CO 0.00 0.05 0.09 0.00 -1.32 0.00 0.00 176.35 175.18 2x28 s ALA 69 N 1.00 3.38 -0.01 5.97 0.00 0.62 -4.54 121.76 128.17 2x28 s ALA 69 Ca -0.02 -1.50 0.02 0.00 0.00 0.00 0.00 51.96 50.46 2x28 s ALA 69 Cb -0.15 -1.06 -0.00 0.00 0.00 0.00 0.00 23.12 21.91 2x28 s ALA 69 CO -0.05 0.29 -0.07 -1.14 0.00 0.00 0.00 175.76 174.78 2x28 s GLN 70 N -3.66 0.64 0.06 0.00 0.74 -1.26 -1.54 119.66 114.64 2x28 s GLN 70 Ca 0.32 -0.26 -0.09 0.00 0.05 0.00 0.00 55.36 55.37 2x28 s GLN 70 Cb -0.07 -0.62 0.00 0.00 1.10 0.00 0.00 33.01 33.41 2x28 s GLN 70 CO 0.22 0.14 0.20 0.00 -0.55 0.00 0.00 175.29 175.30 2x28 s ALA 71 N -0.08 -0.32 0.41 1.58 0.00 0.12 -5.00 121.76 118.47 2x28 s ALA 71 Ca 0.01 -0.42 -0.26 0.00 0.00 0.00 0.00 51.96 51.30 2x28 s ALA 71 Cb -0.04 0.38 -0.08 0.00 0.00 0.00 0.00 23.12 23.38 2x28 s ALA 71 CO -0.00 -0.44 1.27 -1.21 0.00 0.00 0.00 175.76 175.38 2x28 s GLU 72 N -3.17 3.96 0.88 0.00 2.02 -1.26 0.91 118.70 122.04 2x28 s GLU 72 Ca -0.00 2.07 -0.15 0.00 0.02 0.00 0.00 54.97 56.91 2x28 s GLU 72 Cb 0.02 -2.72 0.21 0.00 0.10 0.00 0.00 34.13 31.74 2x28 s GLU 72 CO -0.07 -0.47 1.13 0.41 0.02 0.00 0.00 175.26 176.28 2x28 n GLY 73 N 0.66 -1.63 0.00 -1.39 0.00 0.18 -4.39 105.19 98.64 2x28 n GLY 73 Ca 0.04 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.38 2x28 n GLY 73 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2x28 n SER 74 N -3.86 0.00 -4.50 1.61 7.64 -1.26 -4.74 113.62 108.50 2x28 n SER 74 Ca 0.14 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.63 2x28 n SER 74 Cb 0.51 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.55 2x28 n SER 74 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2x28 n SER 77 N 0.00 0.17 0.00 6.43 2.88 -1.26 -5.07 113.62 116.77 2x28 n SER 77 Ca 0.00 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 2x28 n SER 77 Cb 0.00 -0.90 0.00 0.00 -0.75 0.00 0.00 64.21 62.56 2x28 n SER 77 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2x28 n GLY 78 N 6.41 -0.55 7.00 0.46 0.00 -1.26 -4.55 105.19 112.70 2x28 n GLY 78 Ca 0.66 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.59 2x28 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x28 n GLY 79 N 2.87 0.69 3.03 -0.02 0.00 -1.26 -3.60 105.19 106.90 2x28 n GLY 79 Ca 0.00 -0.67 -0.21 0.00 0.00 0.00 0.00 46.02 45.15 2x28 n GLY 79 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2x28 s ASN 80 N -4.00 1.31 -0.10 1.61 0.01 -0.09 -0.64 114.94 113.03 2x28 s ASN 80 Ca 0.00 -0.20 -0.11 0.00 -0.71 0.00 0.00 52.86 51.84 2x28 s ASN 80 Cb 0.00 -0.27 -0.05 0.00 0.41 0.00 0.00 41.25 41.34 2x28 s ASN 80 CO 0.00 0.10 0.25 -1.81 -1.51 0.00 0.00 177.10 174.13 2x28 s ASP 81 N 0.01 6.50 -0.02 -1.22 1.11 0.26 -1.02 116.67 122.28 2x28 s ASP 81 Ca -0.00 0.59 0.07 0.00 0.18 0.00 0.00 52.55 53.38 2x28 s ASP 81 Cb -0.07 -2.15 -0.02 0.00 1.07 0.00 0.00 42.92 41.76 2x28 s ASP 81 CO 0.00 0.30 -0.22 -0.36 1.18 0.00 0.00 175.17 176.07 2x28 s PHE 82 N -0.58 2.02 -0.16 4.23 0.40 -0.11 0.10 117.98 123.89 2x28 s PHE 82 Ca 0.17 -0.42 0.00 0.00 -0.60 0.00 0.00 56.93 56.09 2x28 s PHE 82 Cb -0.13 -1.31 0.03 0.00 0.51 0.00 0.00 43.02 42.12 2x28 s PHE 82 CO 0.06 -0.06 -0.13 0.99 0.70 0.00 0.00 175.22 176.78 2x28 s THR 83 N -0.45 1.56 -0.22 0.64 2.01 -0.59 -1.35 115.64 117.24 2x28 s THR 83 Ca 0.06 -0.68 -0.08 0.00 0.31 0.00 0.00 61.69 61.31 2x28 s THR 83 Cb -0.09 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 70.88 2x28 s THR 83 CO -0.00 0.41 0.09 -0.22 -0.69 0.00 0.00 174.62 174.20 2x28 s LEU 84 N 1.48 3.75 -0.07 4.42 2.96 -0.20 -0.28 118.68 130.74 2x28 s LEU 84 Ca 0.04 -0.01 0.04 0.00 -0.22 0.00 0.00 54.13 53.98 2x28 s LEU 84 Cb -0.13 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 2x28 s LEU 84 CO -0.10 0.08 -0.18 -0.89 -1.32 0.00 0.00 176.35 173.94 2x28 s THR 85 N 0.93 2.70 -0.26 3.68 2.01 -0.84 -1.10 115.64 122.77 2x28 s THR 85 Ca 0.05 -0.83 0.01 0.00 0.31 0.00 0.00 61.69 61.23 2x28 s THR 85 Cb -0.14 -2.06 0.05 0.00 0.01 0.00 0.00 72.50 70.37 2x28 s THR 85 CO 0.03 0.57 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.75 2x28 s VAL 86 N -0.25 2.43 0.01 3.82 1.01 -1.08 -0.91 120.40 125.44 2x28 s VAL 86 Ca 0.00 -1.43 -0.25 0.00 0.00 0.00 0.00 61.98 60.30 2x28 s VAL 86 Cb -0.13 -2.36 -0.19 0.00 0.00 0.00 0.00 36.38 33.71 2x28 s VAL 86 CO 0.03 0.04 1.38 0.44 0.00 0.00 0.00 175.10 176.99 2x28 h ASP 87 N 7.87 -0.04 -3.36 3.32 3.32 -1.68 0.71 116.42 126.55 2x28 h ASP 87 Ca -0.24 -0.33 -0.62 0.00 0.02 0.00 0.00 57.03 55.86 2x28 h ASP 87 Cb 1.06 0.01 -0.33 0.00 0.22 0.00 0.00 39.33 40.29 2x28 h ASP 87 CO 0.51 0.31 -0.86 0.00 -1.72 0.00 0.00 179.24 177.48 2x28 s ALA 88 N -4.80 1.85 0.51 3.45 0.00 -1.26 -2.61 121.76 118.89 2x28 s ALA 88 Ca -0.15 -0.78 -0.21 0.00 0.00 0.00 0.00 51.96 50.82 2x28 s ALA 88 Cb 0.03 -0.74 -0.06 0.00 0.00 0.00 0.00 23.12 22.35 2x28 s ALA 88 CO 0.65 0.20 1.20 -0.51 0.00 0.00 0.00 175.76 177.30 2x28 s LEU 89 N 0.50 3.87 0.97 0.00 1.43 -1.26 -4.71 118.68 119.48 2x28 s LEU 89 Ca -0.17 2.37 -0.12 0.00 -1.03 0.00 0.00 54.13 55.19 2x28 s LEU 89 Cb -0.17 -4.37 0.17 0.00 0.03 0.00 0.00 46.19 41.84 2x28 s LEU 89 CO 0.06 -1.20 1.09 -2.16 0.23 0.00 0.00 176.35 174.37 2x28 s PRO 90 N -2.96 0.68 0.11 1.29 0.04 -1.26 -4.42 135.00 128.49 2x28 s PRO 90 Ca 0.69 0.69 -0.15 0.00 0.04 0.00 0.00 61.00 62.27 2x28 s PRO 90 Cb -0.30 -1.75 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 2x28 s PRO 90 CO 0.35 -2.60 1.49 1.49 0.04 0.00 0.00 177.00 177.77 2x28 h GLU 91 N -1.81 0.70 -6.43 4.56 4.57 -1.93 0.46 114.58 114.70 2x28 h GLU 91 Ca -0.53 -0.30 -0.62 0.00 -1.18 0.00 0.00 59.36 56.73 2x28 h GLU 91 Cb 1.31 -0.02 -0.13 0.00 -0.16 0.00 0.00 28.75 29.74 2x28 h GLU 91 CO 0.55 0.90 -0.71 0.00 -1.18 0.00 0.00 179.01 178.57 2x28 s ALA 92 N -4.66 3.01 0.23 2.92 0.00 -1.26 -4.10 121.76 117.90 2x28 s ALA 92 Ca -0.13 -1.42 -0.32 0.00 0.00 0.00 0.00 51.96 50.10 2x28 s ALA 92 Cb 0.09 -0.82 -0.13 0.00 0.00 0.00 0.00 23.12 22.26 2x28 s ALA 92 CO 0.81 0.49 1.51 -1.91 0.00 0.00 0.00 175.76 176.66 2x28 n GLU 93 N 0.07 2.23 -3.79 0.00 2.13 -1.26 -4.39 120.64 115.62 2x28 n GLU 93 Ca -0.11 0.80 -0.13 0.00 0.66 0.00 0.00 57.16 58.38 2x28 n GLU 93 Cb 0.55 -2.52 -0.12 0.00 0.27 0.00 0.00 31.44 29.62 2x28 n GLU 93 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 2x28 s THR 94 N 0.28 -0.00 -0.12 6.31 -1.32 0.31 -4.90 115.64 116.19 2x28 s THR 94 Ca 0.71 0.01 -0.05 0.00 -1.21 0.00 0.00 61.69 61.14 2x28 s THR 94 Cb -0.62 -0.32 -0.04 0.00 -1.51 0.00 0.00 72.50 70.02 2x28 s THR 94 CO 0.45 0.00 0.07 -0.44 -2.21 0.00 0.00 174.62 172.50 2x28 s SER 95 N 0.19 5.81 0.17 8.08 0.01 -1.26 -0.02 113.70 126.67 2x28 s SER 95 Ca -0.01 0.26 0.10 0.00 1.31 0.00 0.00 55.95 57.62 2x28 s SER 95 Cb -0.02 -1.84 -0.04 0.00 0.21 0.00 0.00 66.02 64.33 2x28 s SER 95 CO -0.00 0.34 -0.22 0.68 0.41 0.00 0.00 173.24 174.45 2x28 s VAL 96 N -0.63 2.10 0.09 3.43 -7.23 0.83 -4.90 120.40 114.08 2x28 s VAL 96 Ca 0.12 -1.92 0.04 0.00 -1.81 0.00 0.00 61.98 58.41 2x28 s VAL 96 Cb -0.12 -1.96 -0.03 0.00 0.56 0.00 0.00 36.38 34.83 2x28 s VAL 96 CO 0.02 -0.16 -0.11 -0.36 -0.31 0.00 0.00 175.10 174.19 2x28 s PHE 97 N -1.69 1.08 0.09 2.82 0.08 0.00 -0.56 117.98 119.82 2x28 s PHE 97 Ca 0.17 -0.61 -0.03 0.00 0.12 0.00 0.00 56.93 56.59 2x28 s PHE 97 Cb -0.08 -0.59 -0.03 0.00 -0.57 0.00 0.00 43.02 41.75 2x28 s PHE 97 CO 0.08 0.01 0.05 -0.06 -0.10 0.00 0.00 175.22 175.20 2x28 s PHE 98 N -2.16 0.57 0.12 0.36 0.08 -0.86 -0.42 117.98 115.68 2x28 s PHE 98 Ca 0.03 -1.04 0.09 0.00 0.12 0.00 0.00 56.93 56.14 2x28 s PHE 98 Cb -0.05 -0.35 -0.04 0.00 -0.57 0.00 0.00 43.02 42.01 2x28 s PHE 98 CO 0.01 -0.47 -0.19 -0.51 -0.10 0.00 0.00 175.22 173.96 2x28 s LEU 99 N -2.96 2.67 -0.22 -0.37 1.43 -0.14 -0.68 118.68 118.42 2x28 s LEU 99 Ca 0.13 -0.59 -0.08 0.00 -1.03 0.00 0.00 54.13 52.56 2x28 s LEU 99 Cb 0.07 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 2x28 s LEU 99 CO -0.06 0.17 0.09 0.00 0.23 0.00 0.00 176.35 176.79 2x28 s GLN 101 N 1.01 1.22 0.27 0.00 -2.07 0.15 -0.56 119.66 119.68 2x28 s GLN 101 Ca 0.05 -1.64 -0.30 0.00 -1.82 0.00 0.00 55.36 51.65 2x28 s GLN 101 Cb -0.14 0.10 -0.11 0.00 -1.09 0.00 0.00 33.01 31.77 2x28 s GLN 101 CO 0.03 -0.34 1.62 1.03 -1.32 0.00 0.00 175.29 176.32 2x28 s ARG 102 N -4.10 4.13 -0.25 9.60 0.52 -1.26 0.30 118.95 127.89 2x28 s ARG 102 Ca 0.36 2.58 -0.34 0.00 -0.52 0.00 0.00 55.73 57.81 2x28 s ARG 102 Cb 0.07 -3.04 -0.15 0.00 0.52 0.00 0.00 34.95 32.35 2x28 s ARG 102 CO 0.11 -0.66 1.08 2.41 0.02 0.00 0.00 175.30 178.26 2x28 n THR 103 N 2.65 0.00 0.00 0.02 -1.04 -1.26 -1.14 114.28 113.51 2x28 n THR 103 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 2x28 n THR 103 Cb 0.37 -0.25 0.00 0.00 -1.82 0.00 0.00 70.33 68.63 2x28 n THR 103 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2x28 n GLY 104 N 2.39 2.62 0.00 3.41 0.00 -1.26 -5.07 105.19 107.27 2x28 n GLY 104 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2x28 n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x28 n ALA 105 N -0.85 0.00 -1.18 4.61 0.00 -0.29 -5.25 120.51 117.55 2x28 n ALA 105 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 2x28 n ALA 105 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2x28 n ALA 105 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2x28 n ASP 119 N 0.00 -4.27 -4.21 0.00 3.85 -1.26 -5.09 116.55 105.57 2x28 n ASP 119 Ca 0.00 0.16 -0.12 0.00 -0.71 0.00 0.00 54.79 54.11 2x28 n ASP 119 Cb 0.00 -2.32 -0.10 0.00 -1.35 0.00 0.00 41.12 37.35 2x28 n ASP 119 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 2x28 s LYS 120 N -2.15 1.03 -0.04 0.11 1.02 -1.26 -4.58 119.74 113.86 2x28 s LYS 120 Ca 0.00 -1.48 0.06 0.00 0.02 0.00 0.00 55.97 54.57 2x28 s LYS 120 Cb 0.00 -0.19 -0.01 0.00 -0.52 0.00 0.00 37.83 37.11 2x28 s LYS 120 CO 0.00 -0.12 -0.22 0.00 -0.92 0.00 0.00 175.35 174.09 2x28 s GLY 122 N -0.20 2.17 -0.15 0.00 0.00 -0.37 -0.00 107.32 108.77 2x28 s GLY 122 Ca -0.01 -0.69 0.01 0.00 0.00 0.00 0.00 44.72 44.04 2x28 s GLY 122 CO 0.02 -0.50 -0.19 0.14 0.00 0.00 0.00 173.10 172.57 2x28 s VAL 123 N -1.16 2.34 -0.13 1.40 1.01 0.15 -0.67 120.40 123.33 2x28 s VAL 123 Ca 0.21 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.33 2x28 s VAL 123 Cb -0.12 -1.96 0.01 0.00 0.00 0.00 0.00 36.38 34.30 2x28 s VAL 123 CO 0.11 0.53 -0.23 -2.28 0.00 0.00 0.00 175.10 173.23 2x28 s HIS 124 N 0.82 2.64 -0.17 5.22 2.46 0.25 -2.03 115.29 124.48 2x28 s HIS 124 Ca -0.06 -1.26 0.01 0.00 0.47 0.00 0.00 55.06 54.22 2x28 s HIS 124 Cb -0.15 -1.78 0.03 0.00 -0.13 0.00 0.00 32.58 30.54 2x28 s HIS 124 CO -0.01 -0.55 -0.15 0.42 -2.47 0.00 0.00 174.74 171.97 2x28 s ILE 125 N 0.67 1.76 -0.17 0.89 1.01 0.28 -1.02 121.20 124.62 2x28 s ILE 125 Ca -0.11 -0.81 -0.15 0.00 0.00 0.00 0.00 60.65 59.58 2x28 s ILE 125 Cb -0.16 -1.66 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 2x28 s ILE 125 CO 0.01 0.43 0.35 -0.22 0.00 0.00 0.00 174.94 175.52 2x28 s LEU 126 N 1.40 4.21 -0.27 2.97 2.96 -0.23 -0.12 118.68 129.59 2x28 s LEU 126 Ca 0.04 0.53 -0.04 0.00 -0.22 0.00 0.00 54.13 54.44 2x28 s LEU 126 Cb -0.14 -2.46 0.02 0.00 0.50 0.00 0.00 46.19 44.12 2x28 s LEU 126 CO -0.11 0.02 0.00 -0.69 -1.32 0.00 0.00 176.35 174.25 2x28 s VAL 127 N 0.83 3.32 0.61 1.68 1.01 0.97 -0.83 120.40 127.98 2x28 s VAL 127 Ca 0.18 -0.94 -0.18 0.00 0.00 0.00 0.00 61.98 61.04 2x28 s VAL 127 Cb -0.14 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 2x28 s VAL 127 CO 0.06 0.11 1.21 -0.54 0.00 0.00 0.00 175.10 175.95 2x28 s LYS 128 N 1.38 2.86 0.53 2.72 -0.14 -0.16 -0.53 119.74 126.40 2x28 s LYS 128 Ca 0.00 1.83 -0.22 0.00 -1.36 0.00 0.00 55.97 56.22 2x28 s LYS 128 Cb -0.17 -1.91 -0.05 0.00 -1.68 0.00 0.00 37.83 34.01 2x28 s LYS 128 CO -0.01 -1.30 1.36 0.00 -0.76 0.00 0.00 175.35 174.64 2x28 s ALA 129 N -1.64 2.88 0.35 5.17 0.00 -1.26 -4.20 121.76 123.06 2x28 s ALA 129 Ca 0.77 1.34 -0.29 0.00 0.00 0.00 0.00 51.96 53.79 2x28 s ALA 129 Cb -0.31 -3.57 -0.11 0.00 0.00 0.00 0.00 23.12 19.14 2x28 s ALA 129 CO 0.35 -1.33 1.49 0.00 0.00 0.00 0.00 175.76 176.27 2x28 s ALA 130 N -1.30 3.61 0.47 0.00 0.00 0.16 -4.91 121.76 119.79 2x28 s ALA 130 Ca 0.70 1.54 -0.23 0.00 0.00 0.00 0.00 51.96 53.97 2x28 s ALA 130 Cb -0.41 -3.60 -0.07 0.00 0.00 0.00 0.00 23.12 19.04 2x28 s ALA 130 CO 0.49 -0.99 1.17 -1.25 0.00 0.00 0.00 175.76 175.18 2x28 s PRO 131 N -1.66 3.69 0.31 0.00 0.04 -1.26 -4.94 135.00 131.17 2x28 s PRO 131 Ca 0.55 1.79 -0.20 0.00 0.04 0.00 0.00 61.00 63.17 2x28 s PRO 131 Cb -0.46 -2.36 -0.09 0.00 0.04 0.00 0.00 34.50 31.62 2x28 s PRO 131 CO 0.58 -0.62 0.82 -0.65 0.04 0.00 0.00 177.00 177.18 2x28 s GLN 132 N -2.76 4.28 0.34 4.56 -0.21 -1.26 -4.94 119.66 119.67 2x28 s GLN 132 Ca 0.65 0.98 -0.29 0.00 0.02 0.00 0.00 55.36 56.72 2x28 s GLN 132 Cb -0.29 -2.64 -0.11 0.00 1.00 0.00 0.00 33.01 30.97 2x28 s GLN 132 CO 0.35 0.24 1.51 0.00 -2.12 0.00 0.00 175.29 175.26 2x28 n ALA 133 N 0.20 2.29 -1.68 6.09 0.00 -1.26 -4.94 120.51 121.22 2x28 n ALA 133 Ca 0.02 0.36 -0.39 0.00 0.00 0.00 0.00 53.44 53.42 2x28 n ALA 133 Cb 0.52 -2.42 0.04 0.00 0.00 0.00 0.00 19.45 17.59 2x28 n ALA 133 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2x28 n PRO 134 N 1.14 1.40 -4.51 0.00 -0.04 -1.26 -4.60 135.00 127.13 2x28 n PRO 134 Ca 0.05 0.52 -0.34 0.00 -0.04 0.00 0.00 63.50 63.68 2x28 n PRO 134 Cb 0.37 -2.34 -0.10 0.00 -0.04 0.00 0.00 33.50 31.39 2x28 n PRO 134 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2x28 s VAL 135 N -1.35 3.98 -0.53 0.52 1.01 -1.26 -0.79 120.40 121.98 2x28 s VAL 135 Ca 0.71 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 62.29 2x28 s VAL 135 Cb -0.45 -2.65 0.14 0.00 0.00 0.00 0.00 36.38 33.42 2x28 s VAL 135 CO 0.50 0.60 0.33 0.00 0.00 0.00 0.00 175.10 176.54 2x28 n SER 137 N 3.91 1.77 -3.83 0.00 3.41 -1.26 -2.39 113.62 115.23 2x28 n SER 137 Ca 0.04 -2.51 -0.12 0.00 -0.26 0.00 0.00 58.87 56.02 2x28 n SER 137 Cb 0.39 -0.26 -0.12 0.00 -0.26 0.00 0.00 64.21 63.97 2x28 n SER 137 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2x28 s ALA 138 N -1.79 -0.39 0.25 7.33 0.00 -1.26 -4.63 121.76 121.27 2x28 s ALA 138 Ca 0.17 0.28 -0.31 0.00 0.00 0.00 0.00 51.96 52.10 2x28 s ALA 138 Cb 0.15 -0.15 -0.11 0.00 0.00 0.00 0.00 23.12 23.01 2x28 s ALA 138 CO 0.02 -0.12 1.61 -1.14 0.00 0.00 0.00 175.76 176.13 2x28 s GLN 139 N -0.39 4.15 -0.48 0.00 0.74 -1.26 -2.99 119.66 119.42 2x28 s GLN 139 Ca -0.05 2.53 0.00 0.00 0.05 0.00 0.00 55.36 57.89 2x28 s GLN 139 Cb -0.03 -3.06 0.00 0.00 1.10 0.00 0.00 33.01 31.01 2x28 s GLN 139 CO 0.01 -0.64 0.00 -0.25 -0.55 0.00 0.00 175.29 173.85 2x28 n ASP 140 N 2.96 -5.13 -4.81 6.67 8.00 0.23 -4.92 116.55 119.55 2x28 n ASP 140 Ca 0.11 0.11 -0.33 0.00 0.71 0.00 0.00 54.79 55.39 2x28 n ASP 140 Cb 0.37 -3.03 -0.05 0.00 -0.02 0.00 0.00 41.12 38.39 2x28 n ASP 140 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2x28 s HIS 141 N -1.64 3.19 -0.17 1.24 2.46 -1.16 -4.88 115.29 114.33 2x28 s HIS 141 Ca 0.00 1.58 0.01 0.00 0.47 0.00 0.00 55.06 57.11 2x28 s HIS 141 Cb 0.00 -2.93 0.01 0.00 -0.13 0.00 0.00 32.58 29.53 2x28 s HIS 141 CO 0.00 -0.45 -0.18 0.99 -2.47 0.00 0.00 174.74 172.63 2x28 s THR 142 N -2.17 2.34 -0.29 0.89 2.01 -1.26 -0.93 115.64 116.23 2x28 s THR 142 Ca 0.64 -0.86 -0.17 0.00 0.31 0.00 0.00 61.69 61.61 2x28 s THR 142 Cb -0.12 -1.98 -0.02 0.00 0.01 0.00 0.00 72.50 70.38 2x28 s THR 142 CO 0.19 0.52 0.45 -0.22 -0.69 0.00 0.00 174.62 174.87 2x28 s LEU 143 N 1.04 4.15 -0.30 4.42 2.96 0.18 -4.99 118.68 126.15 2x28 s LEU 143 Ca -0.01 0.24 -0.09 0.00 -0.22 0.00 0.00 54.13 54.05 2x28 s LEU 143 Cb -0.14 -2.53 -0.01 0.00 0.50 0.00 0.00 46.19 44.01 2x28 s LEU 143 CO -0.05 -0.30 0.12 -1.61 -1.32 0.00 0.00 176.35 173.19 2x28 s GLU 144 N 2.21 3.33 0.23 1.98 2.02 -1.26 -1.30 118.70 125.91 2x28 s GLU 144 Ca 0.17 -0.71 0.12 0.00 0.02 0.00 0.00 54.97 54.57 2x28 s GLU 144 Cb -0.16 -3.49 -0.05 0.00 0.10 0.00 0.00 34.13 30.54 2x28 s GLU 144 CO 0.11 -0.39 -0.22 -0.51 0.02 0.00 0.00 175.26 174.27 2x28 s LEU 145 N 1.59 2.51 -0.03 1.80 1.43 -0.34 -5.01 118.68 120.63 2x28 s LEU 145 Ca 0.04 -0.94 0.02 0.00 -1.03 0.00 0.00 54.13 52.23 2x28 s LEU 145 Cb -0.17 -1.14 0.01 0.00 0.03 0.00 0.00 46.19 44.92 2x28 s LEU 145 CO 0.05 0.08 -0.10 -1.10 0.23 0.00 0.00 176.35 175.52 2x28 s GLN 146 N -3.07 1.09 -0.18 1.70 1.11 -1.26 -1.37 119.66 117.68 2x28 s GLN 146 Ca 0.25 -0.32 -0.02 0.00 0.01 0.00 0.00 55.36 55.28 2x28 s GLN 146 Cb -0.07 -0.99 -0.01 0.00 -1.01 0.00 0.00 33.01 30.93 2x28 s GLN 146 CO 0.12 0.10 -0.08 0.42 0.01 0.00 0.00 175.29 175.86 2x28 s ILE 147 N 0.30 3.29 0.00 1.08 -1.09 0.30 -4.86 121.20 120.21 2x28 s ILE 147 Ca -0.05 -0.55 0.00 0.00 -2.23 0.00 0.00 60.65 57.82 2x28 s ILE 147 Cb -0.10 -2.44 0.00 0.00 -1.58 0.00 0.00 42.46 38.34 2x28 s ILE 147 CO 0.01 0.48 0.00 0.35 -1.23 0.00 0.00 174.94 174.54 2x28 n THR 148 N 4.13 0.00 -4.28 2.92 -2.24 -1.26 -1.26 114.28 112.29 2x28 n THR 148 Ca -0.18 -0.26 -0.20 0.00 -2.27 0.00 0.00 64.05 61.14 2x28 n THR 148 Cb 0.52 0.84 -0.11 0.00 -2.10 0.00 0.00 70.33 69.47 2x28 n THR 148 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2x28 s ALA 149 N -0.85 1.70 0.94 6.98 0.00 -1.26 -4.84 121.76 124.43 2x28 s ALA 149 Ca 0.00 -1.36 -0.10 0.00 0.00 0.00 0.00 51.96 50.50 2x28 s ALA 149 Cb 0.00 -0.13 0.16 0.00 0.00 0.00 0.00 23.12 23.15 2x28 s ALA 149 CO 0.00 0.17 1.14 0.00 0.00 0.00 0.00 175.76 177.07 2x28 s ALA 150 N -2.03 1.32 -1.46 0.00 0.00 -1.26 -3.77 121.76 114.55 2x28 s ALA 150 Ca 0.11 0.57 -0.10 0.00 0.00 0.00 0.00 51.96 52.54 2x28 s ALA 150 Cb -0.06 -3.45 0.06 0.00 0.00 0.00 0.00 23.12 19.67 2x28 s ALA 150 CO 0.04 -2.88 0.81 0.09 0.00 0.00 0.00 175.76 173.82 2x28 n ASN 151 N -4.31 -5.08 -4.36 0.00 3.02 0.31 -4.97 115.26 99.87 2x28 n ASN 151 Ca 0.11 -0.54 -0.25 0.00 -0.03 0.00 0.00 54.58 53.87 2x28 n ASN 151 Cb 0.52 -4.08 -0.09 0.00 -0.61 0.00 0.00 39.78 35.52 2x28 n ASN 151 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2x28 s SER 152 N -3.02 2.85 0.11 6.41 1.04 -1.08 -4.98 113.70 115.02 2x28 s SER 152 Ca 0.51 -1.54 -0.00 0.00 0.48 0.00 0.00 55.95 55.40 2x28 s SER 152 Cb -0.25 0.22 -0.04 0.00 0.10 0.00 0.00 66.02 66.05 2x28 s SER 152 CO 0.63 -0.77 0.01 1.51 0.98 0.00 0.00 173.24 175.60 2x28 s ASP 153 N -3.60 0.61 0.02 7.02 1.47 -1.26 -1.30 116.67 119.64 2x28 s ASP 153 Ca 0.27 -1.12 0.02 0.00 1.18 0.00 0.00 52.55 52.91 2x28 s ASP 153 Cb 0.05 0.21 -0.02 0.00 -0.34 0.00 0.00 42.92 42.83 2x28 s ASP 153 CO 0.14 -0.63 -0.08 0.28 0.68 0.00 0.00 175.17 175.55 2x28 s THR 154 N -3.90 0.59 0.08 2.11 -1.32 0.50 -4.99 115.64 108.71 2x28 s THR 154 Ca 0.18 -0.74 0.05 0.00 -1.21 0.00 0.00 61.69 59.96 2x28 s THR 154 Cb 0.07 -0.58 -0.03 0.00 -1.51 0.00 0.00 72.50 70.45 2x28 s THR 154 CO -0.02 -0.13 -0.14 -0.44 -2.21 0.00 0.00 174.62 171.68 2x28 s SER 155 N -0.96 1.70 0.21 8.08 0.01 -1.26 -0.46 113.70 121.02 2x28 s SER 155 Ca -0.04 -0.65 -0.14 0.00 1.31 0.00 0.00 55.95 56.44 2x28 s SER 155 Cb -0.07 -0.05 0.01 0.00 0.21 0.00 0.00 66.02 66.12 2x28 s SER 155 CO 0.00 -0.09 0.46 0.72 0.41 0.00 0.00 173.24 174.74 2x28 s PHE 156 N -1.43 0.19 -0.05 2.43 -0.12 -0.75 -4.20 117.98 114.05 2x28 s PHE 156 Ca -0.00 -0.55 0.05 0.00 -0.05 0.00 0.00 56.93 56.38 2x28 s PHE 156 Cb -0.09 0.23 -0.01 0.00 -0.63 0.00 0.00 43.02 42.52 2x28 s PHE 156 CO 0.02 -0.92 -0.21 0.08 -0.05 0.00 0.00 175.22 174.14 2x28 s VAL 157 N -3.96 1.71 -0.79 -2.49 1.01 0.03 -0.82 120.40 115.10 2x28 s VAL 157 Ca 0.16 -0.88 -0.23 0.00 0.00 0.00 0.00 61.98 61.04 2x28 s VAL 157 Cb -0.00 -1.46 0.07 0.00 0.00 0.00 0.00 36.38 34.99 2x28 s VAL 157 CO 0.03 0.48 1.15 0.00 0.00 0.00 0.00 175.10 176.76 2x28 n GLY 159 N 5.62 3.22 7.00 0.00 0.00 -1.00 -4.10 105.19 115.93 2x28 n GLY 159 Ca 0.09 -2.34 0.00 0.00 0.00 0.00 0.00 46.02 43.78 2x28 n GLY 159 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x28 n GLY 160 N -1.09 2.62 0.50 -0.02 0.00 -1.26 -0.88 105.19 105.06 2x28 n GLY 160 Ca -0.12 -0.35 0.13 0.00 0.00 0.00 0.00 46.02 45.68 2x28 n GLY 160 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2x28 n THR 161 N 0.00 0.00 -2.72 2.61 -2.24 -1.26 -4.39 114.28 106.27 2x28 n THR 161 Ca 0.00 -0.26 -0.42 0.00 -2.27 0.00 0.00 64.05 61.10 2x28 n THR 161 Cb 0.00 0.66 0.02 0.00 -2.10 0.00 0.00 70.33 68.90 2x28 n THR 161 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2x28 n PHE 162 N 0.18 2.58 0.13 4.78 3.72 -0.06 -3.79 117.46 125.00 2x28 n PHE 162 Ca 0.17 -2.58 0.10 0.00 -0.05 0.00 0.00 57.45 55.09 2x28 n PHE 162 Cb 0.39 -1.26 0.20 0.00 -0.94 0.00 0.00 39.48 37.87 2x28 n PHE 162 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 2x28 n ASN 163 N 0.56 3.29 -4.45 4.37 6.94 -1.01 -2.87 115.26 122.09 2x28 n ASN 163 Ca 0.41 -1.94 -0.39 0.00 -0.02 0.00 0.00 54.58 52.64 2x28 n ASN 163 Cb 0.28 -0.26 -0.11 0.00 -2.36 0.00 0.00 39.78 37.34 2x28 n ASN 163 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2x28 s VAL 164 N -1.26 4.76 0.17 3.53 1.01 -0.18 -4.92 120.40 123.51 2x28 s VAL 164 Ca 0.35 -0.46 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 2x28 s VAL 164 Cb 0.20 -3.48 -0.08 0.00 0.00 0.00 0.00 36.38 33.02 2x28 s VAL 164 CO 0.27 -0.01 1.25 -0.51 0.00 0.00 0.00 175.10 176.09 2x28 s ILE 165 N 1.63 3.49 -0.04 2.22 1.10 -1.26 -0.53 121.20 127.81 2x28 s ILE 165 Ca 0.04 1.21 0.02 0.00 -0.51 0.00 0.00 60.65 61.41 2x28 s ILE 165 Cb -0.18 -3.77 0.01 0.00 0.15 0.00 0.00 42.46 38.68 2x28 s ILE 165 CO 0.07 0.17 -0.07 -0.54 -2.11 0.00 0.00 174.94 172.47 2x28 s LYS 166 N 0.02 0.95 0.44 3.50 -0.14 0.39 -3.36 119.74 121.55 2x28 s LYS 166 Ca 0.55 -0.21 -0.24 0.00 -1.36 0.00 0.00 55.97 54.71 2x28 s LYS 166 Cb -0.34 -0.89 -0.08 0.00 -1.68 0.00 0.00 37.83 34.84 2x28 s LYS 166 CO 0.36 0.01 1.26 -2.14 -0.76 0.00 0.00 175.35 174.09 2x28 s PRO 167 N 0.56 3.78 0.34 -1.68 0.02 -1.26 -0.67 135.00 136.08 2x28 s PRO 167 Ca -0.08 2.04 0.01 0.00 0.02 0.00 0.00 61.00 62.99 2x28 s PRO 167 Cb -0.12 -2.57 0.59 0.00 0.02 0.00 0.00 34.50 32.42 2x28 s PRO 167 CO 0.01 -0.61 2.00 0.00 -0.33 0.00 0.00 177.00 178.06 2x28 h ALA 168 N 2.30 1.52 -2.04 -1.55 0.00 -1.93 -3.41 119.26 114.14 2x28 h ALA 168 Ca -0.50 -0.05 -0.57 0.00 0.00 0.00 0.00 54.91 53.80 2x28 h ALA 168 Cb 1.25 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 2x28 h ALA 168 CO 0.61 0.44 0.88 1.21 0.00 0.00 0.00 179.25 182.39 2x28 s ASN 169 N -6.40 6.91 0.63 0.00 3.84 -1.26 -4.92 114.94 113.74 2x28 s ASN 169 Ca -0.10 1.37 0.33 0.00 0.21 0.00 0.00 52.86 54.67 2x28 s ASN 169 Cb 0.18 -2.54 1.85 0.00 -0.55 0.00 0.00 41.25 40.19 2x28 s ASN 169 CO 0.77 -0.84 2.12 0.00 -2.79 0.00 0.00 177.10 176.36 2x28 h ALA 170 N 8.27 1.48 -0.00 1.71 0.00 -1.91 -0.41 119.26 128.40 2x28 h ALA 170 Ca -0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2x28 h ALA 170 Cb 1.08 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2x28 h ALA 170 CO 1.00 -0.23 -0.02 0.00 0.00 0.00 0.00 179.25 180.00 2x28 n ALA 171 N -2.15 2.63 -2.58 0.00 0.00 -1.26 -4.22 120.51 112.93 2x28 n ALA 171 Ca -0.00 -0.21 -0.26 0.00 0.00 0.00 0.00 53.44 52.96 2x28 n ALA 171 Cb 0.28 -1.46 -0.09 0.00 0.00 0.00 0.00 19.45 18.18 2x28 n ALA 171 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2x28 s LYS 172 N -2.27 2.09 0.15 0.00 -0.14 -0.16 -0.54 119.74 118.86 2x28 s LYS 172 Ca 0.38 -1.28 -0.11 0.00 -1.36 0.00 0.00 55.97 53.59 2x28 s LYS 172 Cb 0.21 -2.16 0.00 0.00 -1.68 0.00 0.00 37.83 34.20 2x28 s LYS 172 CO 0.42 0.43 0.33 0.54 -0.76 0.00 0.00 175.35 176.30 2x28 s VAL 173 N -1.78 0.07 0.07 3.17 0.11 -0.34 -4.55 120.40 117.14 2x28 s VAL 173 Ca 0.26 -1.14 0.04 0.00 -2.93 0.00 0.00 61.98 58.21 2x28 s VAL 173 Cb -0.08 -1.62 -0.04 0.00 -1.53 0.00 0.00 36.38 33.11 2x28 s VAL 173 CO 0.16 -0.33 -0.01 -0.76 -3.33 0.00 0.00 175.10 170.82 2x28 s LEU 174 N -2.91 3.42 -0.58 2.54 1.43 -0.14 -1.39 118.68 121.05 2x28 s LEU 174 Ca 0.12 -0.15 -0.08 0.00 -1.03 0.00 0.00 54.13 52.99 2x28 s LEU 174 Cb 0.03 -2.11 0.15 0.00 0.03 0.00 0.00 46.19 44.29 2x28 s LEU 174 CO -0.04 0.20 0.44 -1.58 0.23 0.00 0.00 176.35 175.61 2x28 s GLN 175 N -2.08 2.68 0.00 1.70 0.74 -0.36 -0.99 119.66 121.35 2x28 s GLN 175 Ca 0.24 -2.14 0.08 0.00 0.05 0.00 0.00 55.36 53.58 2x28 s GLN 175 Cb -0.12 -3.94 0.35 0.00 1.10 0.00 0.00 33.01 30.41 2x28 s GLN 175 CO 0.16 -1.20 1.21 -0.25 -0.55 0.00 0.00 175.29 174.66 2x28 n ASP 177 N 4.27 0.00 0.11 6.67 8.00 -1.26 -4.33 116.55 130.01 2x28 n ASP 177 Ca 0.01 0.40 0.12 0.00 0.71 0.00 0.00 54.79 56.03 2x28 n ASP 177 Cb 0.41 -0.43 0.46 0.00 -0.02 0.00 0.00 41.12 41.54 2x28 n ASP 177 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2x28 n SER 178 N -1.43 0.64 -4.17 -2.24 3.41 -1.26 -4.96 113.62 103.61 2x28 n SER 178 Ca 0.02 0.63 -0.36 0.00 -0.26 0.00 0.00 58.87 58.91 2x28 n SER 178 Cb 0.08 -0.77 -0.03 0.00 -0.26 0.00 0.00 64.21 63.23 2x28 n SER 178 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2x28 n GLU 180 N -4.29 3.43 -3.47 0.00 1.02 -1.26 -4.89 120.64 111.18 2x28 n GLU 180 Ca 0.08 -0.07 -0.38 0.00 -0.02 0.00 0.00 57.16 56.76 2x28 n GLU 180 Cb 0.49 -0.44 -0.09 0.00 -0.02 0.00 0.00 31.44 31.38 2x28 n GLU 180 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2x28 s THR 181 N -0.51 5.24 0.01 2.62 2.01 -1.26 -4.98 115.64 118.76 2x28 s THR 181 Ca 0.00 0.48 -0.20 0.00 0.31 0.00 0.00 61.69 62.27 2x28 s THR 181 Cb 0.00 -3.64 -0.06 0.00 0.01 0.00 0.00 72.50 68.81 2x28 s THR 181 CO 0.00 0.24 0.60 -0.70 -0.69 0.00 0.00 174.62 174.06 2x28 s GLU 182 N 1.59 4.30 0.14 4.92 2.12 -1.26 -1.22 118.70 129.29 2x28 s GLU 182 Ca 0.14 0.74 -0.10 0.00 0.36 0.00 0.00 54.97 56.11 2x28 s GLU 182 Cb -0.15 -3.32 -0.00 0.00 0.26 0.00 0.00 34.13 30.92 2x28 s GLU 182 CO 0.08 0.41 0.28 0.14 -0.54 0.00 0.00 175.26 175.64 2x28 s VAL 183 N -0.35 0.09 0.11 3.70 -7.23 -0.49 -4.98 120.40 111.25 2x28 s VAL 183 Ca 0.31 -1.21 -0.31 0.00 -1.81 0.00 0.00 61.98 58.96 2x28 s VAL 183 Cb -0.18 -1.61 -0.07 0.00 0.56 0.00 0.00 36.38 35.07 2x28 s VAL 183 CO 0.18 -0.39 1.30 -1.81 -0.31 0.00 0.00 175.10 174.06 2x28 s ASP 184 N -2.91 6.95 0.18 4.85 1.01 -1.26 -1.20 116.67 124.28 2x28 s ASP 184 Ca 0.12 2.21 -0.16 0.00 0.71 0.00 0.00 52.55 55.43 2x28 s ASP 184 Cb 0.03 -2.59 0.14 0.00 1.01 0.00 0.00 42.92 41.52 2x28 s ASP 184 CO -0.05 -0.55 1.65 0.25 0.21 0.00 0.00 175.17 176.68 2x28 h LEU 185 N 6.52 -0.52 0.00 1.23 5.85 -1.10 -0.32 115.31 126.97 2x28 h LEU 185 Ca -0.42 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.45 2x28 h LEU 185 Cb 1.21 0.33 0.00 0.00 0.37 0.00 0.00 40.66 42.57 2x28 h LEU 185 CO 0.83 -0.18 0.00 1.33 -0.34 0.00 0.00 178.44 180.07 2x28 n VAL 186 N -5.37 0.20 0.58 1.05 0.24 -1.26 -1.34 118.33 112.44 2x28 n VAL 186 Ca 0.04 0.05 0.13 0.00 -2.04 0.00 0.00 64.34 62.52 2x28 n VAL 186 Cb 0.27 -0.76 0.44 0.00 -1.47 0.00 0.00 33.84 32.32 2x28 n VAL 186 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2x28 n SER 187 N -1.12 0.71 -0.04 -1.34 3.41 -0.13 -3.38 113.62 111.73 2x28 n SER 187 Ca 0.12 0.60 -0.06 0.00 -0.26 0.00 0.00 58.87 59.26 2x28 n SER 187 Cb 0.09 -0.77 -0.03 0.00 -0.26 0.00 0.00 64.21 63.24 2x28 n SER 187 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2x28 n LEU 188 N -2.19 2.46 -3.78 1.04 4.77 -0.45 -4.90 117.00 113.94 2x28 n LEU 188 Ca 0.05 -0.01 -0.30 0.00 -0.03 0.00 0.00 56.01 55.72 2x28 n LEU 188 Cb 0.36 -0.25 -0.14 0.00 -2.33 0.00 0.00 43.42 41.07 2x28 n LEU 188 CO 0.27 0.52 -0.26 -0.69 -1.33 0.00 0.00 177.39 175.90 2x28 s VAL 189 N -2.14 1.58 0.44 4.08 1.01 -0.67 -4.86 120.40 119.84 2x28 s VAL 189 Ca -0.10 -2.45 -0.24 0.00 0.00 0.00 0.00 61.98 59.19 2x28 s VAL 189 Cb 0.03 -2.13 -0.10 0.00 0.00 0.00 0.00 36.38 34.18 2x28 s VAL 189 CO 0.16 -0.81 1.08 -2.65 0.00 0.00 0.00 175.10 172.87 2x28 n PRO 190 N 3.77 1.46 0.00 2.72 -0.02 -1.22 -2.63 135.00 139.09 2x28 n PRO 190 Ca 0.06 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2x28 n PRO 190 Cb 0.36 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 2x28 n PRO 190 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2x28 n HIS 191 N -0.52 0.00 -1.97 6.00 8.25 -1.26 -4.77 115.22 120.95 2x28 n HIS 191 Ca 0.09 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.21 2x28 n HIS 191 Cb 0.40 -0.26 0.03 0.00 1.12 0.00 0.00 29.99 31.28 2x28 n HIS 191 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2x28 s ALA 192 N -1.97 2.54 0.04 -1.41 0.00 -1.08 -4.43 121.76 115.44 2x28 s ALA 192 Ca 0.00 0.78 -0.09 0.00 0.00 0.00 0.00 51.96 52.64 2x28 s ALA 192 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.75 2x28 s ALA 192 CO 0.00 -1.12 0.20 -1.54 0.00 0.00 0.00 175.76 173.30 2x28 s SER 193 N -2.02 0.03 -0.07 0.00 1.04 -0.16 -4.73 113.70 107.77 2x28 s SER 193 Ca 0.72 -0.35 0.02 0.00 0.48 0.00 0.00 55.95 56.83 2x28 s SER 193 Cb -0.25 0.29 -0.02 0.00 0.10 0.00 0.00 66.02 66.14 2x28 s SER 193 CO 0.35 -0.55 -0.14 -0.60 0.98 0.00 0.00 173.24 173.28 2x28 s ARG 194 N -2.48 2.77 0.11 4.02 3.00 -1.26 -1.29 118.95 123.82 2x28 s ARG 194 Ca -0.06 -0.69 0.03 0.00 -1.00 0.00 0.00 55.73 54.01 2x28 s ARG 194 Cb -0.01 -2.46 -0.04 0.00 0.00 0.00 0.00 34.95 32.43 2x28 s ARG 194 CO -0.03 0.51 -0.08 -1.54 0.00 0.00 0.00 175.30 174.16 2x28 s SER 195 N -0.42 1.32 0.00 -2.12 1.04 -0.26 -4.90 113.70 108.35 2x28 s SER 195 Ca 0.05 -0.98 0.01 0.00 0.48 0.00 0.00 55.95 55.51 2x28 s SER 195 Cb -0.12 0.06 -0.00 0.00 0.10 0.00 0.00 66.02 66.05 2x28 s SER 195 CO 0.02 -0.41 -0.03 0.00 0.98 0.00 0.00 173.24 173.80 2x28 s ALA 196 N -3.39 0.24 -0.69 5.32 0.00 -1.26 0.59 121.76 122.56 2x28 s ALA 196 Ca 0.12 -0.17 -0.05 0.00 0.00 0.00 0.00 51.96 51.86 2x28 s ALA 196 Cb 0.04 -0.04 0.18 0.00 0.00 0.00 0.00 23.12 23.29 2x28 s ALA 196 CO -0.03 0.04 0.54 -1.17 0.00 0.00 0.00 175.76 175.14 2x28 s LEU 197 N -0.21 5.56 0.44 0.00 0.20 0.14 -4.97 118.68 119.86 2x28 s LEU 197 Ca -0.00 -2.91 0.17 0.00 0.69 0.00 0.00 54.13 52.08 2x28 s LEU 197 Cb -0.02 -1.93 1.02 0.00 -0.43 0.00 0.00 46.19 44.83 2x28 s LEU 197 CO -0.00 -0.39 1.96 -0.33 -0.29 0.00 0.00 176.35 177.30 2x28 h GLU 198 N 7.07 0.00 0.00 1.98 5.08 -1.95 -0.91 114.58 125.86 2x28 h GLU 198 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2x28 h GLU 198 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2x28 h GLU 198 CO 0.73 0.22 0.00 -0.56 -1.00 0.00 0.00 179.01 178.40 2x28 h GLN 199 N 0.00 0.00 0.00 2.33 -0.00 -1.95 -3.12 115.11 112.37 2x28 h GLN 199 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2x28 h GLN 199 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.91 2x28 h GLN 199 CO 0.03 0.00 -0.38 -1.13 -0.00 0.00 0.00 178.83 177.34 2x28 n SER 200 N -2.42 0.50 0.00 0.06 3.41 -0.44 -5.00 113.62 109.74 2x28 n SER 200 Ca 0.02 -0.62 0.00 0.00 -0.26 0.00 0.00 58.87 58.01 2x28 n SER 200 Cb 0.27 1.02 0.00 0.00 -0.26 0.00 0.00 64.21 65.24 2x28 n SER 200 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2x28 n GLY 201 N 1.22 0.90 3.71 5.00 0.00 -0.65 -4.85 105.19 110.52 2x28 n GLY 201 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2x28 n GLY 201 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2x28 s LEU 202 N 0.00 4.38 0.00 0.99 2.96 -1.15 -1.82 118.68 124.05 2x28 s LEU 202 Ca 0.00 1.78 0.08 0.00 -0.22 0.00 0.00 54.13 55.77 2x28 s LEU 202 Cb 0.00 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 43.09 2x28 s LEU 202 CO 0.00 -0.31 -0.24 -0.63 -1.32 0.00 0.00 176.35 173.85 2x28 s ILE 203 N 0.94 2.27 -0.10 6.68 -1.09 0.00 0.29 121.20 130.19 2x28 s ILE 203 Ca 0.54 -1.16 0.00 0.00 -2.23 0.00 0.00 60.65 57.79 2x28 s ILE 203 Cb -0.24 -1.85 0.02 0.00 -1.58 0.00 0.00 42.46 38.82 2x28 s ILE 203 CO 0.29 0.49 -0.09 -0.75 -1.23 0.00 0.00 174.94 173.65 2x28 s LYS 204 N -0.91 1.56 -0.18 2.79 2.20 0.20 -1.80 119.74 123.60 2x28 s LYS 204 Ca 0.11 -0.29 -0.14 0.00 -0.36 0.00 0.00 55.97 55.30 2x28 s LYS 204 Cb -0.10 -1.54 -0.05 0.00 -1.51 0.00 0.00 37.83 34.63 2x28 s LYS 204 CO 0.01 -0.20 0.29 -1.17 -0.36 0.00 0.00 175.35 173.91 2x28 s LEU 205 N 1.47 4.21 0.08 5.43 2.96 0.39 -1.11 118.68 132.11 2x28 s LEU 205 Ca 0.01 0.44 0.07 0.00 -0.22 0.00 0.00 54.13 54.43 2x28 s LEU 205 Cb -0.13 -2.35 -0.03 0.00 0.50 0.00 0.00 46.19 44.18 2x28 s LEU 205 CO -0.06 0.07 -0.19 -0.44 -1.32 0.00 0.00 176.35 174.41 2x28 s SER 206 N 0.65 2.32 0.04 3.68 0.01 -0.41 -0.37 113.70 119.63 2x28 s SER 206 Ca 0.15 -0.62 0.01 0.00 1.31 0.00 0.00 55.95 56.80 2x28 s SER 206 Cb -0.13 -0.14 -0.03 0.00 0.21 0.00 0.00 66.02 65.93 2x28 s SER 206 CO 0.04 0.06 -0.05 0.68 0.41 0.00 0.00 173.24 174.39 2x28 s VAL 207 N -1.07 0.32 0.00 3.43 -7.23 -0.42 -0.99 120.40 114.44 2x28 s VAL 207 Ca 0.05 -1.31 0.00 0.00 -1.81 0.00 0.00 61.98 58.91 2x28 s VAL 207 Cb -0.10 -0.85 0.00 0.00 0.56 0.00 0.00 36.38 35.99 2x28 s VAL 207 CO 0.03 -0.65 0.00 0.35 -0.31 0.00 0.00 175.10 174.52 2x28 n THR 208 N 0.97 0.00 -3.53 5.32 -2.24 -1.26 -2.64 114.28 110.90 2x28 n THR 208 Ca -0.20 0.22 -0.34 0.00 -2.27 0.00 0.00 64.05 61.46 2x28 n THR 208 Cb 0.57 -1.19 -0.05 0.00 -2.10 0.00 0.00 70.33 67.56 2x28 n THR 208 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2x28 s ASP 209 N -2.37 6.64 0.57 3.42 1.01 -1.26 0.11 116.67 124.80 2x28 s ASP 209 Ca 0.00 0.83 -0.17 0.00 0.71 0.00 0.00 52.55 53.92 2x28 s ASP 209 Cb 0.00 -2.19 -0.04 0.00 1.01 0.00 0.00 42.92 41.70 2x28 s ASP 209 CO 0.00 0.10 1.07 -0.76 0.21 0.00 0.00 175.17 175.79 2x28 s LEU 210 N -2.19 3.60 0.86 1.23 1.43 -1.26 -4.88 118.68 117.46 2x28 s LEU 210 Ca 0.37 1.94 -0.11 0.00 -1.03 0.00 0.00 54.13 55.30 2x28 s LEU 210 Cb -0.13 -4.55 0.11 0.00 0.03 0.00 0.00 46.19 41.64 2x28 s LEU 210 CO 0.20 -1.17 1.09 -2.16 0.23 0.00 0.00 176.35 174.54 2x28 s PRO 211 N -3.76 1.58 0.23 1.29 0.04 -1.26 -4.39 135.00 128.73 2x28 s PRO 211 Ca 0.67 0.78 0.06 0.00 0.04 0.00 0.00 61.00 62.55 2x28 s PRO 211 Cb -0.18 -1.85 0.22 0.00 0.04 0.00 0.00 34.50 32.73 2x28 s PRO 211 CO 0.32 -2.01 1.53 -0.56 0.04 0.00 0.00 177.00 176.33 2x28 h GLN 212 N -1.38 0.14 -6.60 4.56 -0.00 -1.91 0.10 115.11 110.03 2x28 h GLN 212 Ca -0.48 -0.11 -0.66 0.00 -0.00 0.00 0.00 58.65 57.40 2x28 h GLN 212 Cb 1.28 0.02 -0.16 0.00 -0.00 0.00 0.00 27.48 28.61 2x28 h GLN 212 CO 0.56 0.76 -0.76 -0.65 -0.00 0.00 0.00 178.83 178.74 2x28 s GLN 213 N -3.56 1.99 0.33 0.06 -0.21 -1.26 -4.22 119.66 112.79 2x28 s GLN 213 Ca -0.03 -1.12 -0.29 0.00 0.02 0.00 0.00 55.36 53.94 2x28 s GLN 213 Cb 0.12 -2.21 -0.12 0.00 1.00 0.00 0.00 33.01 31.80 2x28 s GLN 213 CO 0.79 0.48 1.47 0.94 -2.12 0.00 0.00 175.29 176.85 2x28 n GLN 214 N 0.61 2.50 -4.37 2.91 7.27 -1.26 -4.48 117.38 120.56 2x28 n GLN 214 Ca -0.14 0.88 -0.26 0.00 0.07 0.00 0.00 57.00 57.55 2x28 n GLN 214 Cb 0.53 -2.58 -0.10 0.00 2.41 0.00 0.00 30.24 30.49 2x28 n GLN 214 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 2x28 s GLN 215 N -1.45 1.83 -0.25 3.69 -1.52 -0.27 -4.92 119.66 116.77 2x28 s GLN 215 Ca 0.58 -1.45 0.02 0.00 -1.95 0.00 0.00 55.36 52.56 2x28 s GLN 215 Cb -0.52 -1.99 0.06 0.00 -0.22 0.00 0.00 33.01 30.34 2x28 s GLN 215 CO 0.58 0.40 -0.11 0.15 -0.25 0.00 0.00 175.29 176.06 2x28 s LYS 216 N -2.96 2.20 0.08 2.91 1.02 -1.26 -0.37 119.74 121.35 2x28 s LYS 216 Ca 0.25 -1.22 -0.18 0.00 0.02 0.00 0.00 55.97 54.84 2x28 s LYS 216 Cb -0.08 -2.78 -0.07 0.00 -0.52 0.00 0.00 37.83 34.38 2x28 s LYS 216 CO 0.14 -0.53 0.56 -0.51 -0.92 0.00 0.00 175.35 174.08 2x28 s LEU 217 N 1.18 4.49 0.00 3.17 1.02 0.15 -4.82 118.68 123.88 2x28 s LEU 217 Ca -0.07 1.21 0.06 0.00 0.02 0.00 0.00 54.13 55.36 2x28 s LEU 217 Cb -0.19 -2.93 -0.02 0.00 0.02 0.00 0.00 46.19 43.07 2x28 s LEU 217 CO -0.06 0.25 -0.19 0.00 0.02 0.00 0.00 176.35 176.37 2x28 s TYR 219 N -0.55 1.59 -0.08 0.00 2.02 0.15 -0.97 117.35 119.50 2x28 s TYR 219 Ca 0.07 -0.65 0.04 0.00 -0.37 0.00 0.00 57.07 56.16 2x28 s TYR 219 Cb -0.08 -0.78 0.00 0.00 -0.40 0.00 0.00 41.96 40.71 2x28 s TYR 219 CO 0.00 0.25 -0.21 1.03 -1.57 0.00 0.00 175.55 175.05 2x28 s ARG 220 N -3.69 2.58 -0.42 -0.62 0.52 0.16 -1.12 118.95 116.36 2x28 s ARG 220 Ca 0.22 -0.77 -0.15 0.00 -0.52 0.00 0.00 55.73 54.50 2x28 s ARG 220 Cb 0.01 -2.03 0.02 0.00 0.52 0.00 0.00 34.95 33.47 2x28 s ARG 220 CO 0.05 0.20 0.32 0.00 0.02 0.00 0.00 175.30 175.89 2x28 s GLU 222 N 1.71 2.66 0.99 0.00 2.02 0.31 -0.07 118.70 126.33 2x28 s GLU 222 Ca 0.05 -0.72 -0.17 0.00 0.02 0.00 0.00 54.97 54.16 2x28 s GLU 222 Cb -0.19 -2.59 0.21 0.00 0.10 0.00 0.00 34.13 31.66 2x28 s GLU 222 CO 0.10 0.59 1.31 0.16 0.02 0.00 0.00 175.26 177.44 2x28 s ASP 223 N -1.84 2.83 0.63 -0.19 1.47 -0.50 -1.01 116.67 118.06 2x28 s ASP 223 Ca 0.22 0.27 0.35 0.00 1.18 0.00 0.00 52.55 54.57 2x28 s ASP 223 Cb -0.12 -0.31 2.00 0.00 -0.34 0.00 0.00 42.92 44.15 2x28 s ASP 223 CO 0.13 -2.91 2.22 0.77 0.68 0.00 0.00 175.17 176.06 2x28 h SER 224 N -1.77 0.00 -0.45 2.11 4.64 -1.90 -1.50 113.55 114.68 2x28 h SER 224 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2x28 h SER 224 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2x28 h SER 224 CO 0.36 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 175.12 2x28 n SER 225 N -3.41 2.88 -2.38 4.97 7.64 -1.26 -4.97 113.62 117.09 2x28 n SER 225 Ca -0.02 -1.95 -0.19 0.00 1.01 0.00 0.00 58.87 57.73 2x28 n SER 225 Cb 0.18 -0.29 -0.01 0.00 -1.01 0.00 0.00 64.21 63.07 2x28 n SER 225 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2x28 n GLN 226 N 1.09 -1.79 -2.22 1.43 10.64 -0.57 -5.03 117.38 120.94 2x28 n GLN 226 Ca 0.18 0.93 -0.31 0.00 -1.83 0.00 0.00 57.00 55.97 2x28 n GLN 226 Cb 0.48 -5.57 -0.01 0.00 -0.86 0.00 0.00 30.24 24.28 2x28 n GLN 226 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 2x28 s LYS 227 N -5.00 3.75 0.01 2.61 1.02 -1.26 -4.88 119.74 115.99 2x28 s LYS 227 Ca 0.00 0.77 0.02 0.00 0.02 0.00 0.00 55.97 56.78 2x28 s LYS 227 Cb 0.00 -2.15 -0.01 0.00 -0.52 0.00 0.00 37.83 35.15 2x28 s LYS 227 CO 0.00 -0.38 -0.06 0.00 -0.92 0.00 0.00 175.35 173.99 2x28 s ALA 228 N -2.86 0.44 -0.01 5.17 0.00 -1.26 -1.40 121.76 121.83 2x28 s ALA 228 Ca 0.56 -0.39 -0.22 0.00 0.00 0.00 0.00 51.96 51.91 2x28 s ALA 228 Cb -0.10 -0.05 -0.05 0.00 0.00 0.00 0.00 23.12 22.92 2x28 s ALA 228 CO 0.42 0.05 0.65 0.00 0.00 0.00 0.00 175.76 176.88 2x28 s LYS 230 N 0.07 3.56 -0.19 0.00 1.02 -0.10 -0.85 119.74 123.24 2x28 s LYS 230 Ca 0.34 -0.04 0.01 0.00 0.02 0.00 0.00 55.97 56.30 2x28 s LYS 230 Cb -0.18 -3.21 0.03 0.00 -0.52 0.00 0.00 37.83 33.95 2x28 s LYS 230 CO 0.18 0.74 -0.16 0.08 -0.92 0.00 0.00 175.35 175.27 2x28 s VAL 231 N -0.96 1.95 -0.20 3.17 1.01 -0.28 -0.64 120.40 124.45 2x28 s VAL 231 Ca 0.16 -1.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 2x28 s VAL 231 Cb -0.13 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.39 2x28 s VAL 231 CO 0.05 0.36 -0.12 -0.22 0.00 0.00 0.00 175.10 175.17 2x28 s LEU 232 N 1.29 2.53 -0.29 3.92 2.96 -0.42 -0.68 118.68 128.00 2x28 s LEU 232 Ca 0.01 -0.51 -0.06 0.00 -0.22 0.00 0.00 54.13 53.35 2x28 s LEU 232 Cb -0.15 -1.61 0.01 0.00 0.50 0.00 0.00 46.19 44.94 2x28 s LEU 232 CO -0.10 -0.00 0.06 -0.69 -1.32 0.00 0.00 176.35 174.29 2x28 s VAL 233 N 1.35 3.83 -0.24 1.68 1.01 0.87 -1.20 120.40 127.71 2x28 s VAL 233 Ca 0.05 -0.71 -0.27 0.00 0.00 0.00 0.00 61.98 61.05 2x28 s VAL 233 Cb -0.14 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.29 2x28 s VAL 233 CO -0.08 0.11 0.92 -0.89 0.00 0.00 0.00 175.10 175.17 2x28 s THR 234 N 1.48 4.76 -0.31 3.92 2.01 -0.47 0.29 115.64 127.33 2x28 s THR 234 Ca 0.02 1.77 -0.09 0.00 0.31 0.00 0.00 61.69 63.70 2x28 s THR 234 Cb -0.17 -4.21 -0.00 0.00 0.01 0.00 0.00 72.50 68.13 2x28 s THR 234 CO 0.01 -0.13 0.13 -0.69 -0.69 0.00 0.00 174.62 173.25 2x28 s VAL 235 N 3.01 4.39 0.54 3.82 1.01 0.50 -0.54 120.40 133.13 2x28 s VAL 235 Ca 0.39 -0.52 -0.20 0.00 0.00 0.00 0.00 61.98 61.65 2x28 s VAL 235 Cb -0.15 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.92 2x28 s VAL 235 CO 0.07 0.06 1.17 -0.94 0.00 0.00 0.00 175.10 175.46 2x28 s SER 236 N 1.57 5.64 0.51 3.32 1.04 -0.39 -1.12 113.70 124.27 2x28 s SER 236 Ca 0.04 2.30 -0.21 0.00 0.48 0.00 0.00 55.95 58.55 2x28 s SER 236 Cb -0.17 -2.59 -0.06 0.00 0.10 0.00 0.00 66.02 63.29 2x28 s SER 236 CO 0.05 -1.28 1.17 0.00 0.98 0.00 0.00 173.24 174.16 2x28 s ALA 237 N -1.65 2.82 -2.00 5.32 0.00 -1.26 -4.10 121.76 120.89 2x28 s ALA 237 Ca 0.72 0.94 0.04 0.00 0.00 0.00 0.00 51.96 53.66 2x28 s ALA 237 Cb -0.28 -3.40 0.25 0.00 0.00 0.00 0.00 23.12 19.69 2x28 s ALA 237 CO 0.31 -0.81 0.72 0.43 0.00 0.00 0.00 175.76 176.41