#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aw2 n SER 3 N 0.00 -3.73 -4.90 3.54 7.64 -1.26 -4.91 113.62 109.99 2aw2 n SER 3 Ca 0.00 -0.53 -0.31 0.00 1.01 0.00 0.00 58.87 59.04 2aw2 n SER 3 Cb 0.00 -4.28 -0.04 0.00 -1.01 0.00 0.00 64.21 58.88 2aw2 n SER 3 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2aw2 s LYS 5 N -2.76 1.53 0.31 0.00 1.02 -1.26 -4.87 119.74 113.70 2aw2 s LYS 5 Ca 0.41 1.03 0.07 0.00 0.02 0.00 0.00 55.97 57.50 2aw2 s LYS 5 Cb -0.12 -1.82 0.87 0.00 -0.52 0.00 0.00 37.83 36.24 2aw2 s LYS 5 CO 0.25 -2.11 1.65 0.93 -0.92 0.00 0.00 175.35 175.15 2aw2 h GLU 6 N -1.46 0.23 -0.01 1.68 4.39 -2.03 -0.20 114.58 117.17 2aw2 h GLU 6 Ca -0.47 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.22 2aw2 h GLU 6 Cb 1.26 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2aw2 h GLU 6 CO 0.52 0.15 0.00 -0.40 -1.16 0.00 0.00 179.01 178.12 2aw2 n ASP 7 N -5.18 0.33 -4.61 1.42 5.75 -1.26 -4.85 116.55 108.14 2aw2 n ASP 7 Ca 0.26 -1.14 -0.28 0.00 -0.01 0.00 0.00 54.79 53.61 2aw2 n ASP 7 Cb 0.81 -0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.79 2aw2 n ASP 7 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2aw2 s GLU 8 N -2.00 1.95 0.03 0.11 2.02 -0.09 -1.92 118.70 118.81 2aw2 s GLU 8 Ca 0.44 -2.11 -0.07 0.00 0.02 0.00 0.00 54.97 53.25 2aw2 s GLU 8 Cb 0.21 -1.56 -0.00 0.00 0.10 0.00 0.00 34.13 32.88 2aw2 s GLU 8 CO 0.35 -0.09 0.14 1.52 0.02 0.00 0.00 175.26 177.20 2aw2 s TYR 9 N -2.78 0.12 0.04 1.61 1.13 0.20 -4.64 117.35 113.03 2aw2 s TYR 9 Ca 0.33 -0.37 -0.30 0.00 -1.41 0.00 0.00 57.07 55.32 2aw2 s TYR 9 Cb 0.09 -0.09 -0.04 0.00 -1.10 0.00 0.00 41.96 40.82 2aw2 s TYR 9 CO 0.17 -0.38 1.04 -2.14 -2.51 0.00 0.00 175.55 171.73 2aw2 s PRO 10 N -2.45 4.54 -0.12 -3.49 0.02 -1.26 -0.65 135.00 131.59 2aw2 s PRO 10 Ca -0.06 1.54 -0.04 0.00 0.02 0.00 0.00 61.00 62.46 2aw2 s PRO 10 Cb -0.02 -3.41 0.05 0.00 0.02 0.00 0.00 34.50 31.14 2aw2 s PRO 10 CO -0.04 -0.07 0.11 0.54 -0.33 0.00 0.00 177.00 177.21 2aw2 s VAL 11 N 0.85 -0.15 0.00 3.83 0.11 -0.47 -4.96 120.40 119.62 2aw2 s VAL 11 Ca 0.53 0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.70 2aw2 s VAL 11 Cb -0.24 -0.40 0.00 0.00 -1.53 0.00 0.00 36.38 34.21 2aw2 s VAL 11 CO 0.29 -0.05 0.00 0.61 -3.33 0.00 0.00 175.10 172.62 2aw2 n GLY 12 N 5.30 2.93 1.08 6.54 0.00 -1.26 -2.89 105.19 116.89 2aw2 n GLY 12 Ca -0.05 -0.21 0.12 0.00 0.00 0.00 0.00 46.02 45.88 2aw2 n GLY 12 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2aw2 n SER 13 N 7.00 3.30 -3.93 1.61 7.64 -1.26 -4.81 113.62 123.18 2aw2 n SER 13 Ca 0.00 -1.99 -0.26 0.00 1.01 0.00 0.00 58.87 57.63 2aw2 n SER 13 Cb 0.00 -0.16 -0.08 0.00 -1.01 0.00 0.00 64.21 62.96 2aw2 n SER 13 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2aw2 s GLU 14 N -1.65 1.98 0.22 1.43 8.01 -1.14 -4.73 118.70 122.82 2aw2 s GLU 14 Ca 0.35 -2.22 0.06 0.00 0.01 0.00 0.00 54.97 53.17 2aw2 s GLU 14 Cb 0.22 -0.44 -0.04 0.00 -4.31 0.00 0.00 34.13 29.56 2aw2 s GLU 14 CO 0.31 -0.56 0.22 0.00 0.01 0.00 0.00 175.26 175.24 2aw2 s PRO 17 N -1.20 4.14 0.65 0.00 0.02 -1.26 0.58 135.00 137.93 2aw2 s PRO 17 Ca -0.12 2.56 -0.17 0.00 0.02 0.00 0.00 61.00 63.29 2aw2 s PRO 17 Cb -0.04 -3.33 -0.01 0.00 0.02 0.00 0.00 34.50 31.15 2aw2 s PRO 17 CO 0.05 -0.77 1.18 0.15 -0.33 0.00 0.00 177.00 177.28 2aw2 s LYS 18 N 1.90 2.70 0.57 5.54 1.02 -0.81 -4.70 119.74 125.96 2aw2 s LYS 18 Ca 0.77 1.70 -0.14 0.00 0.02 0.00 0.00 55.97 58.32 2aw2 s LYS 18 Cb -0.47 -1.91 -0.05 0.00 -0.52 0.00 0.00 37.83 34.88 2aw2 s LYS 18 CO 0.34 -1.39 1.01 0.00 -0.92 0.00 0.00 175.35 174.39 2aw2 s SER 20 N -3.48 2.57 0.48 0.00 0.01 -1.26 -1.74 113.70 110.28 2aw2 s SER 20 Ca 0.58 1.50 -0.24 0.00 1.31 0.00 0.00 55.95 59.10 2aw2 s SER 20 Cb -0.11 -2.17 -0.07 0.00 0.21 0.00 0.00 66.02 63.87 2aw2 s SER 20 CO 0.42 -3.21 1.35 -2.65 0.41 0.00 0.00 173.24 169.56 2aw2 n PRO 21 N -4.26 1.95 -0.85 12.44 -0.02 -1.26 -2.54 135.00 140.46 2aw2 n PRO 21 Ca 0.06 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 2aw2 n PRO 21 Cb 0.55 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 2aw2 n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2aw2 n GLY 22 N 0.72 0.80 3.22 -1.23 0.00 0.26 -4.83 105.19 104.12 2aw2 n GLY 22 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 2aw2 n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2aw2 s TYR 23 N -3.10 1.26 0.25 1.61 1.51 -1.05 -0.60 117.35 117.23 2aw2 s TYR 23 Ca 0.00 -0.60 0.06 0.00 -1.01 0.00 0.00 57.07 55.52 2aw2 s TYR 23 Cb 0.00 -0.67 -0.05 0.00 -0.11 0.00 0.00 41.96 41.13 2aw2 s TYR 23 CO 0.00 0.09 -0.05 -0.98 -1.11 0.00 0.00 175.55 173.49 2aw2 s ARG 24 N -2.75 1.45 -0.25 -0.62 1.70 0.11 -4.69 118.95 113.91 2aw2 s ARG 24 Ca 0.08 -1.72 -0.29 0.00 -0.47 0.00 0.00 55.73 53.33 2aw2 s ARG 24 Cb -0.04 -0.98 0.01 0.00 -0.57 0.00 0.00 34.95 33.37 2aw2 s ARG 24 CO 0.02 0.02 1.06 0.08 -1.08 0.00 0.00 175.30 175.40 2aw2 s VAL 25 N -3.13 4.61 -0.21 4.99 1.01 -0.31 -0.85 120.40 126.50 2aw2 s VAL 25 Ca 0.28 1.92 -0.17 0.00 0.00 0.00 0.00 61.98 64.02 2aw2 s VAL 25 Cb 0.04 -4.32 -0.13 0.00 0.00 0.00 0.00 36.38 31.97 2aw2 s VAL 25 CO 0.10 -0.25 -0.07 1.17 0.00 0.00 0.00 175.10 176.05 2aw2 n LYS 26 N 6.48 0.54 -4.23 2.72 4.81 -0.80 -4.53 118.16 123.14 2aw2 n LYS 26 Ca 0.12 0.46 -0.18 0.00 -0.87 0.00 0.00 58.31 57.83 2aw2 n LYS 26 Cb 0.46 -1.64 -0.12 0.00 0.02 0.00 0.00 35.03 33.74 2aw2 n LYS 26 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2aw2 s GLU 27 N -2.43 0.82 0.03 1.64 2.12 -1.18 -5.06 118.70 114.65 2aw2 s GLU 27 Ca -0.28 -0.83 -0.12 0.00 0.36 0.00 0.00 54.97 54.10 2aw2 s GLU 27 Cb 0.07 -0.81 -0.06 0.00 0.26 0.00 0.00 34.13 33.60 2aw2 s GLU 27 CO 0.47 0.19 0.39 0.00 -0.54 0.00 0.00 175.26 175.76 2aw2 s ALA 28 N -1.08 3.73 0.89 6.30 0.00 -1.26 -2.28 121.76 128.06 2aw2 s ALA 28 Ca -0.01 -0.33 -0.21 0.00 0.00 0.00 0.00 51.96 51.41 2aw2 s ALA 28 Cb -0.09 -2.30 -0.16 0.00 0.00 0.00 0.00 23.12 20.58 2aw2 s ALA 28 CO 0.02 0.53 -1.10 0.00 0.00 0.00 0.00 175.76 175.21 2aw2 n GLY 30 N 3.10 6.14 0.29 0.00 0.00 -0.99 -4.96 105.19 108.77 2aw2 n GLY 30 Ca -0.02 -1.75 -0.03 0.00 0.00 0.00 0.00 46.02 44.22 2aw2 n GLY 30 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2aw2 h GLU 31 N 0.00 0.75 0.00 1.61 4.57 -1.99 -3.32 114.58 116.20 2aw2 h GLU 31 Ca 0.00 -0.17 -0.25 0.00 -1.18 0.00 0.00 59.36 57.76 2aw2 h GLU 31 Cb 0.00 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.44 2aw2 h GLU 31 CO 0.00 0.73 -1.94 1.28 -1.18 0.00 0.00 179.01 177.90 2aw2 n LEU 32 N -4.25 0.56 -4.84 1.64 4.77 -1.26 -5.01 117.00 108.61 2aw2 n LEU 32 Ca 0.03 -0.02 -0.34 0.00 -0.03 0.00 0.00 56.01 55.65 2aw2 n LEU 32 Cb 0.26 0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.44 2aw2 n LEU 32 CO 0.40 0.42 0.35 0.42 -1.33 0.00 0.00 177.39 177.66 2aw2 s THR 33 N -2.33 4.71 0.65 -5.08 -4.23 -1.25 -5.08 115.64 103.03 2aw2 s THR 33 Ca -0.10 0.99 -0.02 0.00 -1.18 0.00 0.00 61.69 61.39 2aw2 s THR 33 Cb 0.04 -3.73 0.07 0.00 1.34 0.00 0.00 72.50 70.22 2aw2 s THR 33 CO 0.52 0.08 0.92 -0.83 -0.54 0.00 0.00 174.62 174.77 2aw2 s GLY 34 N -1.92 1.77 0.12 3.99 0.00 -1.26 -2.34 107.32 107.68 2aw2 s GLY 34 Ca 0.45 -1.31 -0.30 0.00 0.00 0.00 0.00 44.72 43.56 2aw2 s GLY 34 CO 0.20 -0.91 1.21 -1.59 0.00 0.00 0.00 173.10 172.01 2aw2 s THR 35 N -3.03 3.76 -0.20 0.90 2.01 -1.26 -4.06 115.64 113.75 2aw2 s THR 35 Ca 0.61 1.35 -0.17 0.00 0.31 0.00 0.00 61.69 63.79 2aw2 s THR 35 Cb -0.09 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 2aw2 s THR 35 CO 0.42 0.16 0.45 -0.69 -0.69 0.00 0.00 174.62 174.27 2aw2 s VAL 36 N 0.54 5.16 0.42 3.82 1.01 -0.96 -4.95 120.40 125.43 2aw2 s VAL 36 Ca 0.56 0.81 0.07 0.00 0.00 0.00 0.00 61.98 63.43 2aw2 s VAL 36 Cb -0.32 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 2aw2 s VAL 36 CO 0.33 0.22 0.23 0.00 0.00 0.00 0.00 175.10 175.87 2aw2 s GLU 38 N -3.96 0.60 0.40 0.00 2.12 -0.03 -4.78 118.70 113.05 2aw2 s GLU 38 Ca 0.43 1.33 -0.23 0.00 0.36 0.00 0.00 54.97 56.85 2aw2 s GLU 38 Cb 0.02 0.55 -0.12 0.00 0.26 0.00 0.00 34.13 34.84 2aw2 s GLU 38 CO 0.24 -0.18 0.67 -2.30 -0.54 0.00 0.00 175.26 173.14 2aw2 n PRO 39 N 5.00 0.74 -2.09 4.30 -0.02 -1.26 0.08 135.00 141.75 2aw2 n PRO 39 Ca -0.15 0.27 -0.41 0.00 -2.02 0.00 0.00 63.50 61.19 2aw2 n PRO 39 Cb 0.53 -1.61 -0.02 0.00 -0.02 0.00 0.00 33.50 32.37 2aw2 n PRO 39 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2aw2 s PRO 41 N -0.71 1.72 0.22 0.00 0.02 -1.26 -4.91 135.00 130.08 2aw2 s PRO 41 Ca 0.56 1.57 -0.32 0.00 0.02 0.00 0.00 61.00 62.83 2aw2 s PRO 41 Cb -0.40 -1.80 -0.14 0.00 0.02 0.00 0.00 34.50 32.17 2aw2 s PRO 41 CO 0.45 -2.11 1.29 -2.30 -0.33 0.00 0.00 177.00 174.00 2aw2 n PRO 42 N -3.45 1.68 -0.77 5.54 -0.02 -1.26 -1.86 135.00 134.86 2aw2 n PRO 42 Ca 0.12 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 2aw2 n PRO 42 Cb 0.51 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 2aw2 n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2aw2 n GLY 43 N 2.02 0.82 3.28 -1.23 0.00 -1.26 -5.04 105.19 103.77 2aw2 n GLY 43 Ca 0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 2aw2 n GLY 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2aw2 s THR 44 N -3.15 0.78 0.16 2.61 -4.23 -0.78 -2.12 115.64 108.92 2aw2 s THR 44 Ca 0.00 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.29 2aw2 s THR 44 Cb 0.00 -2.25 0.06 0.00 1.34 0.00 0.00 72.50 71.65 2aw2 s THR 44 CO 0.00 -0.37 0.57 -0.72 -0.54 0.00 0.00 174.62 173.56 2aw2 s TYR 45 N -3.59 -0.48 -0.05 3.99 1.13 0.13 -4.52 117.35 113.96 2aw2 s TYR 45 Ca 0.27 0.25 -0.02 0.00 -1.41 0.00 0.00 57.07 56.16 2aw2 s TYR 45 Cb 0.06 0.51 0.03 0.00 -1.10 0.00 0.00 41.96 41.47 2aw2 s TYR 45 CO 0.07 -0.83 0.09 0.42 -2.51 0.00 0.00 175.55 172.78 2aw2 s ILE 46 N -3.76 -0.10 -0.11 -3.49 1.01 -0.39 -1.34 121.20 113.02 2aw2 s ILE 46 Ca 0.02 0.29 0.16 0.00 0.00 0.00 0.00 60.65 61.11 2aw2 s ILE 46 Cb -0.01 -0.17 -0.14 0.00 0.01 0.00 0.00 42.46 42.16 2aw2 s ILE 46 CO -0.12 0.12 0.86 0.00 0.00 0.00 0.00 174.94 175.79 2aw2 h ALA 47 N 7.74 0.67 -2.14 9.38 0.00 -1.81 0.75 119.26 133.86 2aw2 h ALA 47 Ca -0.32 -0.91 -0.43 0.00 0.00 0.00 0.00 54.91 53.26 2aw2 h ALA 47 Cb 1.12 0.27 -0.14 0.00 0.00 0.00 0.00 17.79 19.05 2aw2 h ALA 47 CO 0.33 1.01 -0.64 -1.01 0.00 0.00 0.00 179.25 178.94 2aw2 s HIS 48 N -2.87 1.76 0.15 0.00 3.76 -1.26 -4.73 115.29 112.10 2aw2 s HIS 48 Ca -0.03 -0.93 -0.33 0.00 -0.15 0.00 0.00 55.06 53.63 2aw2 s HIS 48 Cb 0.09 -1.07 -0.16 0.00 1.11 0.00 0.00 32.58 32.54 2aw2 s HIS 48 CO 0.81 -0.00 1.13 1.28 -0.85 0.00 0.00 174.74 177.10 2aw2 n LEU 49 N -0.54 1.24 -3.72 0.89 4.32 -1.26 -4.17 117.00 113.76 2aw2 n LEU 49 Ca -0.04 1.14 -0.12 0.00 -0.02 0.00 0.00 56.01 56.98 2aw2 n LEU 49 Cb 0.65 -1.17 -0.07 0.00 -1.62 0.00 0.00 43.42 41.21 2aw2 n LEU 49 CO 0.39 -1.44 0.07 0.54 -1.22 0.00 0.00 177.39 175.74 2aw2 s ASN 50 N -0.03 -0.17 -0.28 -1.43 2.20 -0.71 -4.92 114.94 109.60 2aw2 s ASN 50 Ca 0.75 -0.17 0.08 0.00 -0.94 0.00 0.00 52.86 52.58 2aw2 s ASN 50 Cb -0.90 0.39 0.45 0.00 -2.00 0.00 0.00 41.25 39.19 2aw2 s ASN 50 CO 0.53 -0.66 1.29 0.61 -2.94 0.00 0.00 177.10 175.93 2aw2 n GLY 51 N 0.45 5.67 3.76 0.45 0.00 -1.26 -0.04 105.19 114.23 2aw2 n GLY 51 Ca -0.18 -1.91 -0.38 0.00 0.00 0.00 0.00 46.02 43.55 2aw2 n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aw2 s LEU 52 N -3.42 4.35 0.00 0.99 1.43 -1.26 -4.87 118.68 115.90 2aw2 s LEU 52 Ca 0.46 0.91 0.19 0.00 -1.03 0.00 0.00 54.13 54.65 2aw2 s LEU 52 Cb 0.40 -2.70 0.73 0.00 0.03 0.00 0.00 46.19 44.65 2aw2 s LEU 52 CO -0.01 0.10 1.52 -1.54 0.23 0.00 0.00 176.35 176.65 2aw2 n SER 53 N 3.03 1.37 -3.69 2.29 3.41 -1.26 -1.17 113.62 117.60 2aw2 n SER 53 Ca -0.09 -1.71 -0.11 0.00 -0.26 0.00 0.00 58.87 56.71 2aw2 n SER 53 Cb 0.52 -0.10 -0.10 0.00 -0.26 0.00 0.00 64.21 64.27 2aw2 n SER 53 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2aw2 s LYS 54 N -1.80 0.51 0.50 4.33 2.47 -1.26 -4.73 119.74 119.76 2aw2 s LYS 54 Ca 0.29 0.83 -0.17 0.00 -1.56 0.00 0.00 55.97 55.36 2aw2 s LYS 54 Cb 0.15 0.10 -0.08 0.00 -1.46 0.00 0.00 37.83 36.54 2aw2 s LYS 54 CO 0.23 -0.13 0.98 0.00 0.16 0.00 0.00 175.35 176.60 2aw2 s LEU 56 N -3.92 3.48 0.16 0.00 1.02 -0.45 -4.72 118.68 114.26 2aw2 s LEU 56 Ca 0.60 1.53 -0.30 0.00 0.02 0.00 0.00 54.13 55.98 2aw2 s LEU 56 Cb -0.10 -4.50 -0.07 0.00 0.02 0.00 0.00 46.19 41.54 2aw2 s LEU 56 CO 0.28 -0.71 1.03 -1.10 0.02 0.00 0.00 176.35 175.87 2aw2 s GLN 57 N -4.45 4.66 0.40 1.70 -1.52 -1.26 -0.70 119.66 118.50 2aw2 s GLN 57 Ca 0.58 1.59 -0.26 0.00 -1.95 0.00 0.00 55.36 55.32 2aw2 s GLN 57 Cb -0.11 -3.32 -0.09 0.00 -0.22 0.00 0.00 33.01 29.28 2aw2 s GLN 57 CO 0.39 0.18 1.31 0.00 -0.25 0.00 0.00 175.29 176.92 2aw2 s GLN 59 N -2.23 4.32 -0.08 0.00 2.00 -1.26 -4.98 119.66 117.42 2aw2 s GLN 59 Ca 0.57 2.24 -0.07 0.00 -2.00 0.00 0.00 55.36 56.10 2aw2 s GLN 59 Cb -0.39 -3.05 -0.04 0.00 0.80 0.00 0.00 33.01 30.34 2aw2 s GLN 59 CO 0.50 -0.23 0.19 1.41 -0.50 0.00 0.00 175.29 176.66 2aw2 s MET 60 N -1.84 3.51 -0.46 1.67 1.75 -1.26 -4.61 119.30 118.06 2aw2 s MET 60 Ca 0.50 -0.09 -0.03 0.00 -1.25 0.00 0.00 55.69 54.82 2aw2 s MET 60 Cb -0.40 -3.17 0.12 0.00 2.84 0.00 0.00 34.83 34.22 2aw2 s MET 60 CO 0.54 0.74 0.26 0.00 -0.65 0.00 0.00 175.02 175.91 2aw2 s ASP 62 N 1.58 6.94 0.43 0.00 -1.08 -1.26 -4.75 116.67 118.53 2aw2 s ASP 62 Ca 0.10 1.46 0.10 0.00 -0.52 0.00 0.00 52.55 53.69 2aw2 s ASP 62 Cb -0.22 -2.54 0.94 0.00 -1.46 0.00 0.00 42.92 39.63 2aw2 s ASP 62 CO -0.04 -0.80 2.03 -0.65 0.52 0.00 0.00 175.17 176.23 2aw2 h PRO 63 N 8.18 0.29 0.00 4.34 0.11 -1.95 -1.68 132.00 141.29 2aw2 h PRO 63 Ca -0.24 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2aw2 h PRO 63 Cb 1.09 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2aw2 h PRO 63 CO 0.99 0.27 0.00 0.00 -0.21 0.00 0.00 178.00 179.05 2aw2 h ALA 64 N 1.77 1.00 -0.62 -0.75 0.00 -1.91 0.10 119.26 118.86 2aw2 h ALA 64 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2aw2 h ALA 64 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2aw2 h ALA 64 CO -0.00 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.92 2aw2 n MET 65 N -2.76 3.46 -2.18 0.00 2.81 -0.66 -4.94 117.12 112.85 2aw2 n MET 65 Ca -0.01 -2.65 -0.08 0.00 -1.81 0.00 0.00 57.70 53.15 2aw2 n MET 65 Cb 0.15 -1.83 -0.00 0.00 -0.71 0.00 0.00 33.22 30.83 2aw2 n MET 65 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2aw2 n GLY 66 N 1.15 0.06 3.32 3.03 0.00 0.36 -2.09 105.19 111.01 2aw2 n GLY 66 Ca 0.24 -0.55 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 2aw2 n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aw2 s LEU 67 N -2.31 2.62 -0.09 0.99 1.43 -1.04 -2.23 118.68 118.04 2aw2 s LEU 67 Ca 0.01 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.72 2aw2 s LEU 67 Cb -0.00 -1.60 -0.02 0.00 0.03 0.00 0.00 46.19 44.60 2aw2 s LEU 67 CO 0.01 0.11 -0.12 -0.60 0.23 0.00 0.00 176.35 175.98 2aw2 s ARG 68 N 0.65 2.99 -0.14 1.70 3.52 -0.53 -3.42 118.95 123.72 2aw2 s ARG 68 Ca -0.07 -0.66 -0.29 0.00 -0.13 0.00 0.00 55.73 54.57 2aw2 s ARG 68 Cb -0.16 -2.54 -0.04 0.00 -1.56 0.00 0.00 34.95 30.65 2aw2 s ARG 68 CO 0.02 0.43 1.65 0.00 -0.81 0.00 0.00 175.30 176.59 2aw2 s ALA 69 N -0.20 3.42 0.05 6.12 0.00 -1.26 -2.27 121.76 127.61 2aw2 s ALA 69 Ca 0.01 0.70 -0.19 0.00 0.00 0.00 0.00 51.96 52.48 2aw2 s ALA 69 Cb -0.13 -3.81 -0.14 0.00 0.00 0.00 0.00 23.12 19.04 2aw2 s ALA 69 CO 0.03 -1.71 1.33 0.66 0.00 0.00 0.00 175.76 176.07 2aw2 h SER 70 N 10.30 0.46 -3.25 0.00 4.64 -1.56 -3.43 113.55 120.71 2aw2 h SER 70 Ca -0.36 -0.51 -0.66 0.00 -0.47 0.00 0.00 61.79 59.78 2aw2 h SER 70 Cb 1.17 -0.13 -0.31 0.00 -0.31 0.00 0.00 62.40 62.82 2aw2 h SER 70 CO 0.98 0.87 -0.80 -0.13 -0.87 0.00 0.00 176.83 176.88 2aw2 s ARG 71 N -4.20 3.20 0.58 4.77 1.81 -1.12 -4.99 118.95 118.99 2aw2 s ARG 71 Ca -0.14 -0.74 -0.18 0.00 -1.72 0.00 0.00 55.73 52.95 2aw2 s ARG 71 Cb 0.06 -2.70 -0.04 0.00 -0.45 0.00 0.00 34.95 31.81 2aw2 s ARG 71 CO 0.77 -0.09 1.13 -0.80 -0.68 0.00 0.00 175.30 175.63 2aw2 s ASN 72 N 1.09 5.49 -0.13 0.23 0.01 -1.26 -2.29 114.94 118.09 2aw2 s ASN 72 Ca 0.00 2.14 -0.29 0.00 -0.71 0.00 0.00 52.86 54.00 2aw2 s ASN 72 Cb -0.14 -2.57 -0.01 0.00 0.41 0.00 0.00 41.25 38.93 2aw2 s ASN 72 CO -0.04 -1.37 1.08 0.00 -1.51 0.00 0.00 177.10 175.26 2aw2 n SER 74 N 5.48 2.03 0.17 0.00 3.41 -0.94 -4.96 113.62 118.80 2aw2 n SER 74 Ca 0.10 -2.09 0.01 0.00 -0.26 0.00 0.00 58.87 56.63 2aw2 n SER 74 Cb 0.47 -0.02 0.31 0.00 -0.26 0.00 0.00 64.21 64.71 2aw2 n SER 74 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2aw2 h ARG 75 N 0.00 0.02 -0.02 4.33 3.08 -1.94 -3.23 114.38 116.61 2aw2 h ARG 75 Ca -0.20 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.84 2aw2 h ARG 75 Cb 0.73 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.78 2aw2 h ARG 75 CO 0.32 0.44 -0.18 0.25 -1.07 0.00 0.00 179.97 179.73 2aw2 n THR 76 N -4.03 0.00 -3.78 2.04 -2.24 -1.26 -1.26 114.28 103.75 2aw2 n THR 76 Ca -0.02 -0.40 -0.13 0.00 -2.27 0.00 0.00 64.05 61.23 2aw2 n THR 76 Cb 0.46 1.39 -0.13 0.00 -2.10 0.00 0.00 70.33 69.95 2aw2 n THR 76 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2aw2 s GLU 77 N -2.18 0.14 0.64 -0.78 2.02 -1.22 -4.22 118.70 113.10 2aw2 s GLU 77 Ca 0.24 0.32 -0.15 0.00 0.02 0.00 0.00 54.97 55.40 2aw2 s GLU 77 Cb 0.19 -0.06 -0.01 0.00 0.10 0.00 0.00 34.13 34.36 2aw2 s GLU 77 CO 0.40 -0.10 1.11 1.21 0.02 0.00 0.00 175.26 177.90 2aw2 s ASN 78 N 0.70 5.23 0.24 -0.19 3.84 -1.26 -2.22 114.94 121.27 2aw2 s ASN 78 Ca -0.05 1.99 -0.30 0.00 0.21 0.00 0.00 52.86 54.71 2aw2 s ASN 78 Cb -0.07 -2.55 -0.09 0.00 -0.55 0.00 0.00 41.25 37.99 2aw2 s ASN 78 CO -0.04 -1.55 1.11 0.00 -2.79 0.00 0.00 177.10 173.84 2aw2 s ALA 79 N -2.31 3.40 -0.21 1.71 0.00 -1.26 -4.67 121.76 118.41 2aw2 s ALA 79 Ca 0.67 0.88 -0.02 0.00 0.00 0.00 0.00 51.96 53.49 2aw2 s ALA 79 Cb -0.20 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.58 2aw2 s ALA 79 CO 0.40 -0.20 -0.09 0.08 0.00 0.00 0.00 175.76 175.95 2aw2 s VAL 80 N -0.77 2.91 0.08 0.00 1.01 -0.97 -4.52 120.40 118.14 2aw2 s VAL 80 Ca 0.47 -0.70 -0.23 0.00 0.00 0.00 0.00 61.98 61.51 2aw2 s VAL 80 Cb -0.31 -2.32 -0.06 0.00 0.00 0.00 0.00 36.38 33.68 2aw2 s VAL 80 CO 0.39 0.43 0.71 0.00 0.00 0.00 0.00 175.10 176.62 2aw2 n GLY 82 N 2.02 3.06 3.80 0.00 0.00 -0.96 -4.38 105.19 108.72 2aw2 n GLY 82 Ca -0.06 -1.97 -0.35 0.00 0.00 0.00 0.00 46.02 43.64 2aw2 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aw2 s SER 84 N -1.90 3.47 -0.02 0.00 0.01 -0.95 -4.49 113.70 109.82 2aw2 s SER 84 Ca 0.55 1.20 -0.38 0.00 1.31 0.00 0.00 55.95 58.64 2aw2 s SER 84 Cb -0.14 -1.85 -0.16 0.00 0.21 0.00 0.00 66.02 64.08 2aw2 s SER 84 CO 0.18 -2.60 1.48 -2.65 0.41 0.00 0.00 173.24 170.07 2aw2 n PRO 85 N -3.83 1.21 -2.56 12.44 -0.02 -1.26 -2.18 135.00 138.80 2aw2 n PRO 85 Ca 0.06 0.44 -0.10 0.00 -2.02 0.00 0.00 63.50 61.88 2aw2 n PRO 85 Cb 0.57 -2.10 0.01 0.00 -0.02 0.00 0.00 33.50 31.96 2aw2 n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2aw2 n GLY 86 N 3.10 0.13 3.09 -1.23 0.00 -1.26 -5.05 105.19 103.97 2aw2 n GLY 86 Ca 0.21 -0.39 -0.17 0.00 0.00 0.00 0.00 46.02 45.67 2aw2 n GLY 86 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2aw2 s HIS 87 N -2.78 0.90 0.00 1.61 3.76 -0.93 -3.26 115.29 114.59 2aw2 s HIS 87 Ca 0.12 -0.38 0.07 0.00 -0.15 0.00 0.00 55.06 54.72 2aw2 s HIS 87 Cb -0.05 -0.54 -0.02 0.00 1.11 0.00 0.00 32.58 33.08 2aw2 s HIS 87 CO 0.15 -0.01 -0.21 -0.59 -0.85 0.00 0.00 174.74 173.23 2aw2 s PHE 88 N -0.97 1.84 0.45 1.40 -0.71 -0.52 -4.72 117.98 114.76 2aw2 s PHE 88 Ca -0.03 -0.35 -0.25 0.00 -1.04 0.00 0.00 56.93 55.26 2aw2 s PHE 88 Cb -0.08 -1.16 -0.08 0.00 -1.21 0.00 0.00 43.02 40.49 2aw2 s PHE 88 CO 0.01 0.00 1.38 0.00 -1.34 0.00 0.00 175.22 175.27 2aw2 n ILE 90 N -0.26 0.00 -3.58 0.00 -5.35 0.55 -4.86 119.36 105.86 2aw2 n ILE 90 Ca 0.06 -0.16 -0.22 0.00 -0.27 0.00 0.00 62.75 62.15 2aw2 n ILE 90 Cb 0.43 1.55 -0.16 0.00 -1.74 0.00 0.00 39.64 39.72 2aw2 n ILE 90 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 2aw2 s VAL 91 N -0.06 -0.18 0.73 7.28 1.01 -1.18 -4.98 120.40 123.01 2aw2 s VAL 91 Ca 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.89 2aw2 s VAL 91 Cb 0.00 -0.55 0.12 0.00 0.00 0.00 0.00 36.38 35.94 2aw2 s VAL 91 CO 0.00 -0.19 1.01 -1.10 0.00 0.00 0.00 175.10 174.82 2aw2 s GLN 92 N 2.22 1.72 0.00 2.72 -1.52 -1.26 -0.90 119.66 122.64 2aw2 s GLN 92 Ca 0.04 -0.90 0.00 0.00 -1.95 0.00 0.00 55.36 52.55 2aw2 s GLN 92 Cb -0.15 -2.28 0.00 0.00 -0.22 0.00 0.00 33.01 30.36 2aw2 s GLN 92 CO -0.09 -1.45 0.00 -0.25 -0.25 0.00 0.00 175.29 173.25 2aw2 n ASP 95 N -2.89 0.00 -2.56 5.90 9.92 -1.26 -4.53 116.55 121.12 2aw2 n ASP 95 Ca 0.13 0.00 -0.05 0.00 -0.53 0.00 0.00 54.79 54.35 2aw2 n ASP 95 Cb 0.60 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 41.09 2aw2 n ASP 95 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 2aw2 n HIS 96 N -0.28 -1.92 -3.17 1.24 -0.00 -1.26 -5.10 115.22 104.72 2aw2 n HIS 96 Ca 0.00 -0.44 -0.39 0.00 0.46 0.00 0.00 57.72 57.35 2aw2 n HIS 96 Cb 0.00 -0.10 -0.06 0.00 -0.12 0.00 0.00 29.99 29.72 2aw2 n HIS 96 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2aw2 n ALA 98 N 2.37 2.91 -3.61 0.00 0.00 -0.08 -4.75 120.51 117.35 2aw2 n ALA 98 Ca -0.07 -0.22 -0.13 0.00 0.00 0.00 0.00 53.44 53.02 2aw2 n ALA 98 Cb 0.51 -0.28 -0.07 0.00 0.00 0.00 0.00 19.45 19.60 2aw2 n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aw2 s ALA 99 N -1.88 -1.83 0.22 0.00 0.00 -1.25 -4.98 121.76 112.04 2aw2 s ALA 99 Ca 0.02 1.82 0.06 0.00 0.00 0.00 0.00 51.96 53.86 2aw2 s ALA 99 Cb 0.06 -0.97 -0.05 0.00 0.00 0.00 0.00 23.12 22.15 2aw2 s ALA 99 CO 0.32 -0.32 -0.08 0.00 0.00 0.00 0.00 175.76 175.68 2aw2 s ARG 101 N -3.73 1.34 0.52 0.00 3.52 -0.60 -4.45 118.95 115.55 2aw2 s ARG 101 Ca 0.25 -1.23 -0.19 0.00 -0.13 0.00 0.00 55.73 54.43 2aw2 s ARG 101 Cb 0.02 -1.70 -0.07 0.00 -1.56 0.00 0.00 34.95 31.64 2aw2 s ARG 101 CO 0.08 0.41 1.05 0.00 -0.81 0.00 0.00 175.30 176.02 2aw2 s ALA 102 N -1.05 2.83 -2.00 6.12 0.00 -1.26 -1.43 121.76 124.97 2aw2 s ALA 102 Ca 0.11 0.56 0.18 0.00 0.00 0.00 0.00 51.96 52.81 2aw2 s ALA 102 Cb -0.10 -3.25 1.10 0.00 0.00 0.00 0.00 23.12 20.87 2aw2 s ALA 102 CO 0.05 -0.46 1.49 0.66 0.00 0.00 0.00 175.76 177.50