#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uu9 n THR 6 N 0.00 1.58 -0.25 0.52 -2.24 -1.26 -4.62 114.28 108.01 2uu9 n THR 6 Ca 0.00 -0.45 -0.04 0.00 -2.27 0.00 0.00 64.05 61.29 2uu9 n THR 6 Cb 0.00 -0.58 0.07 0.00 -2.10 0.00 0.00 70.33 67.72 2uu9 n THR 6 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2uu9 h ILE 7 N -0.19 1.13 -0.52 2.28 1.08 -2.05 0.59 117.51 119.83 2uu9 h ILE 7 Ca -0.45 -0.31 0.10 0.00 -0.39 0.00 0.00 64.86 63.81 2uu9 h ILE 7 Cb 1.37 0.16 -0.08 0.00 -3.07 0.00 0.00 36.82 35.20 2uu9 h ILE 7 CO 0.43 0.16 0.06 -1.13 -0.69 0.00 0.00 178.15 176.98 2uu9 h ASN 8 N 0.89 -0.10 -0.62 1.72 -1.24 -1.99 0.51 115.58 114.75 2uu9 h ASN 8 Ca 0.27 0.11 0.05 0.00 0.71 0.00 0.00 56.30 57.44 2uu9 h ASN 8 Cb -0.03 0.17 -0.05 0.00 0.73 0.00 0.00 38.32 39.14 2uu9 h ASN 8 CO -0.09 -0.02 0.35 1.56 -1.29 0.00 0.00 177.43 177.94 2uu9 h GLN 9 N 0.18 0.64 -0.98 6.67 4.20 -1.47 0.12 115.11 124.48 2uu9 h GLN 9 Ca 0.27 -0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.98 2uu9 h GLN 9 Cb 0.39 -0.14 -0.06 0.00 0.30 0.00 0.00 27.48 27.96 2uu9 h GLN 9 CO -0.39 0.42 0.63 -0.07 -0.67 0.00 0.00 178.83 178.76 2uu9 h LEU 10 N 0.66 1.04 0.33 1.46 3.38 0.18 0.32 115.31 122.69 2uu9 h LEU 10 Ca 0.27 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 2uu9 h LEU 10 Cb 0.14 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2uu9 h LEU 10 CO -0.16 0.70 -0.16 0.58 0.09 0.00 0.00 178.44 179.49 2uu9 h VAL 11 N 1.21 0.69 0.29 1.22 2.07 0.13 0.16 116.25 122.02 2uu9 h VAL 11 Ca 0.40 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.72 2uu9 h VAL 11 Cb 0.05 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 2uu9 h VAL 11 CO -0.14 0.04 -0.36 0.03 0.02 0.00 0.00 177.57 177.16 2uu9 h ARG 12 N -0.55 -0.68 0.00 1.57 3.08 0.05 -3.36 114.38 114.50 2uu9 h ARG 12 Ca -0.05 0.05 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 2uu9 h ARG 12 Cb 0.41 0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 2uu9 h ARG 12 CO 0.07 -0.45 -1.94 1.63 -1.07 0.00 0.00 179.97 178.21 2uu9 n LYS 13 N -5.46 1.04 -1.42 0.04 5.02 0.11 -5.09 118.16 112.39 2uu9 n LYS 13 Ca -0.09 -0.07 0.17 0.00 -2.02 0.00 0.00 58.31 56.30 2uu9 n LYS 13 Cb 0.36 -1.40 -0.09 0.00 -0.02 0.00 0.00 35.03 33.88 2uu9 n LYS 13 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2uu9 n GLY 14 N 1.82 -3.16 3.72 0.72 0.00 0.55 -4.84 105.19 103.99 2uu9 n GLY 14 Ca -0.16 -0.96 -0.32 0.00 0.00 0.00 0.00 46.02 44.58 2uu9 n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2uu9 s ARG 15 N -4.35 1.78 -0.36 1.61 1.81 -1.26 -5.00 118.95 113.18 2uu9 s ARG 15 Ca 0.00 1.51 -0.05 0.00 -1.72 0.00 0.00 55.73 55.47 2uu9 s ARG 15 Cb 0.00 -1.82 0.07 0.00 -0.45 0.00 0.00 34.95 32.75 2uu9 s ARG 15 CO 0.00 -2.06 0.13 -2.00 -0.68 0.00 0.00 175.30 170.70 2uu9 s GLU 16 N -4.45 2.41 -0.25 3.54 2.12 -1.26 -5.06 118.70 115.76 2uu9 s GLU 16 Ca 0.68 -1.42 -0.28 0.00 0.36 0.00 0.00 54.97 54.30 2uu9 s GLU 16 Cb -0.23 -3.48 -0.04 0.00 0.26 0.00 0.00 34.13 30.64 2uu9 s GLU 16 CO 0.52 -0.82 1.96 0.15 -0.54 0.00 0.00 175.26 176.54 2uu9 s LYS 17 N 1.30 3.36 0.07 4.30 1.02 -1.26 -4.97 119.74 123.56 2uu9 s LYS 17 Ca 0.01 1.78 -0.07 0.00 0.02 0.00 0.00 55.97 57.71 2uu9 s LYS 17 Cb -0.21 -4.25 -0.05 0.00 -0.52 0.00 0.00 37.83 32.80 2uu9 s LYS 17 CO -0.00 -1.84 0.33 0.08 -0.92 0.00 0.00 175.35 173.01 2uu9 s VAL 18 N 7.12 5.21 0.31 3.17 1.01 -1.26 -5.09 120.40 130.86 2uu9 s VAL 18 Ca 0.88 0.19 0.08 0.00 0.00 0.00 0.00 61.98 63.13 2uu9 s VAL 18 Cb -0.28 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 2uu9 s VAL 18 CO 0.34 0.25 0.17 -0.13 0.00 0.00 0.00 175.10 175.73 2uu9 s ARG 19 N -2.07 2.57 0.12 2.72 0.52 -1.26 -5.13 118.95 116.41 2uu9 s ARG 19 Ca 0.33 -1.35 0.03 0.00 -0.52 0.00 0.00 55.73 54.21 2uu9 s ARG 19 Cb -0.13 -2.33 -0.04 0.00 0.52 0.00 0.00 34.95 32.97 2uu9 s ARG 19 CO 0.19 0.21 0.17 0.15 0.02 0.00 0.00 175.30 176.05 2uu9 s LYS 20 N -3.85 3.13 -0.02 3.54 -0.14 -1.26 -5.10 119.74 116.03 2uu9 s LYS 20 Ca 0.36 -0.67 -0.09 0.00 -1.36 0.00 0.00 55.97 54.21 2uu9 s LYS 20 Cb -0.05 -2.82 -0.05 0.00 -1.68 0.00 0.00 37.83 33.23 2uu9 s LYS 20 CO 0.24 0.54 0.28 0.15 -0.76 0.00 0.00 175.35 175.79 2uu9 s LYS 21 N -2.83 3.63 0.31 1.68 3.01 -1.26 -5.05 119.74 119.23 2uu9 s LYS 21 Ca 0.32 0.04 -0.29 0.00 -1.01 0.00 0.00 55.97 55.03 2uu9 s LYS 21 Cb -0.11 -3.14 -0.10 0.00 -1.01 0.00 0.00 37.83 33.47 2uu9 s LYS 21 CO 0.25 0.69 1.34 0.45 0.51 0.00 0.00 175.35 178.59 2uu9 s SER 22 N -1.38 6.74 0.00 2.83 0.15 -1.26 -4.90 113.70 115.88 2uu9 s SER 22 Ca 0.24 2.68 0.22 0.00 0.70 0.00 0.00 55.95 59.79 2uu9 s SER 22 Cb -0.14 -2.64 0.84 0.00 -1.71 0.00 0.00 66.02 62.37 2uu9 s SER 22 CO 0.12 -0.59 1.60 0.29 1.20 0.00 0.00 173.24 175.87 2uu9 n LYS 23 N 1.24 1.67 -3.18 5.44 5.02 -1.26 -4.58 118.16 122.51 2uu9 n LYS 23 Ca 0.02 -1.00 -0.21 0.00 -2.02 0.00 0.00 58.31 55.10 2uu9 n LYS 23 Cb 0.41 -1.40 -0.06 0.00 -0.02 0.00 0.00 35.03 33.96 2uu9 n LYS 23 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2uu9 n VAL 24 N 0.22 -0.79 -1.79 -0.18 0.31 -1.26 -4.97 118.33 109.87 2uu9 n VAL 24 Ca 0.17 -3.05 -0.35 0.00 -0.01 0.00 0.00 64.34 61.09 2uu9 n VAL 24 Cb 0.32 -1.06 -0.05 0.00 -0.91 0.00 0.00 33.84 32.13 2uu9 n VAL 24 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2uu9 n PRO 25 N 2.34 1.74 -2.17 5.55 -0.02 -1.26 -4.48 135.00 136.70 2uu9 n PRO 25 Ca 0.24 -2.33 -0.38 0.00 -2.02 0.00 0.00 63.50 59.00 2uu9 n PRO 25 Cb 0.52 -3.42 0.03 0.00 -0.02 0.00 0.00 33.50 30.61 2uu9 n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2uu9 n ALA 26 N 11.28 6.20 0.00 3.55 0.00 -1.26 -4.99 120.51 135.29 2uu9 n ALA 26 Ca 0.47 -4.27 0.00 0.00 0.00 0.00 0.00 53.44 49.64 2uu9 n ALA 26 Cb 0.44 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 18.07 2uu9 n ALA 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2uu9 n LEU 27 N -0.42 0.00 -0.28 0.00 7.94 -1.26 -1.00 117.00 121.97 2uu9 n LEU 27 Ca 0.50 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.40 2uu9 n LEU 27 Cb 0.29 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.24 2uu9 n LEU 27 CO 0.48 0.00 0.00 1.17 -1.11 0.00 0.00 177.39 177.93 2uu9 n LYS 28 N 0.00 0.00 -4.36 1.96 4.81 -1.26 -4.50 118.16 114.81 2uu9 n LYS 28 Ca 0.00 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.09 2uu9 n LYS 28 Cb 0.00 -0.84 -0.08 0.00 0.02 0.00 0.00 35.03 34.13 2uu9 n LYS 28 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2uu9 n GLY 29 N 0.03 -0.26 3.85 3.14 0.00 -0.17 -4.87 105.19 106.91 2uu9 n GLY 29 Ca 0.00 0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 2uu9 n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uu9 s ALA 30 N -3.84 2.32 -0.36 4.61 0.00 -1.15 -4.95 121.76 118.40 2uu9 s ALA 30 Ca 0.37 -0.53 0.27 0.00 0.00 0.00 0.00 51.96 52.07 2uu9 s ALA 30 Cb -0.22 -3.01 0.86 0.00 0.00 0.00 0.00 23.12 20.76 2uu9 s ALA 30 CO 1.00 -1.85 1.77 -1.00 0.00 0.00 0.00 175.76 175.68 2uu9 h PRO 31 N -1.18 0.00 -3.05 0.00 0.13 -1.92 -3.46 132.00 122.53 2uu9 h PRO 31 Ca -0.48 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.57 2uu9 h PRO 31 Cb 1.32 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.28 2uu9 h PRO 31 CO 0.64 0.00 -0.14 -0.06 -0.23 0.00 0.00 178.00 178.21 2uu9 s PHE 32 N -3.34 -0.24 -0.05 1.56 0.08 -1.26 -4.73 117.98 110.00 2uu9 s PHE 32 Ca 0.06 0.21 -0.03 0.00 0.12 0.00 0.00 56.93 57.29 2uu9 s PHE 32 Cb 0.09 0.19 0.02 0.00 -0.57 0.00 0.00 43.02 42.75 2uu9 s PHE 32 CO 0.56 -0.54 0.13 0.50 -0.10 0.00 0.00 175.22 175.77 2uu9 s ARG 33 N -2.31 0.11 0.34 0.44 6.06 -0.74 -4.96 118.95 117.89 2uu9 s ARG 33 Ca -0.06 0.26 -0.16 0.00 -2.50 0.00 0.00 55.73 53.26 2uu9 s ARG 33 Cb -0.01 -0.05 -0.09 0.00 0.06 0.00 0.00 34.95 34.85 2uu9 s ARG 33 CO -0.01 -0.09 0.77 0.50 -2.50 0.00 0.00 175.30 173.97 2uu9 s ARG 34 N 0.59 4.06 0.28 5.12 3.52 -1.26 -0.02 118.95 131.24 2uu9 s ARG 34 Ca -0.04 0.76 -0.09 0.00 -0.13 0.00 0.00 55.73 56.22 2uu9 s ARG 34 Cb -0.06 -2.42 0.04 0.00 -1.56 0.00 0.00 34.95 30.95 2uu9 s ARG 34 CO -0.03 0.14 0.55 0.41 -0.81 0.00 0.00 175.30 175.56 2uu9 n GLY 35 N -0.35 1.41 3.13 8.12 0.00 -0.11 -0.81 105.19 116.59 2uu9 n GLY 35 Ca 0.04 -1.24 -0.26 0.00 0.00 0.00 0.00 46.02 44.55 2uu9 n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2uu9 s VAL 36 N -2.40 1.45 0.30 1.61 1.01 0.34 -1.42 120.40 121.30 2uu9 s VAL 36 Ca 0.13 -0.72 -0.29 0.00 0.00 0.00 0.00 61.98 61.10 2uu9 s VAL 36 Cb -0.03 -1.25 -0.10 0.00 0.00 0.00 0.00 36.38 34.99 2uu9 s VAL 36 CO 0.10 0.42 1.36 0.00 0.00 0.00 0.00 175.10 176.97 2uu9 n THR 38 N 1.36 0.96 -3.72 0.00 -1.04 0.23 -4.06 114.28 108.01 2uu9 n THR 38 Ca 0.02 -0.43 -0.13 0.00 -2.04 0.00 0.00 64.05 61.47 2uu9 n THR 38 Cb 0.41 -0.96 -0.08 0.00 -1.82 0.00 0.00 70.33 67.88 2uu9 n THR 38 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2uu9 s VAL 39 N -2.34 0.06 -0.54 12.58 1.01 -1.21 -4.85 120.40 125.11 2uu9 s VAL 39 Ca -0.18 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 61.41 2uu9 s VAL 39 Cb 0.05 -0.76 0.27 0.00 0.00 0.00 0.00 36.38 35.94 2uu9 s VAL 39 CO 0.44 -0.25 0.72 0.52 0.00 0.00 0.00 175.10 176.52 2uu9 n VAL 40 N 1.00 1.40 -0.60 2.92 0.31 -1.26 -1.32 118.33 120.77 2uu9 n VAL 40 Ca -0.20 -4.89 -0.02 0.00 -0.01 0.00 0.00 64.34 59.22 2uu9 n VAL 40 Cb 0.57 -1.78 0.02 0.00 -0.91 0.00 0.00 33.84 31.74 2uu9 n VAL 40 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2uu9 n ARG 41 N 0.78 -1.04 -3.82 5.55 0.63 -1.17 -4.88 116.66 112.71 2uu9 n ARG 41 Ca 0.27 -0.13 -0.13 0.00 -0.92 0.00 0.00 57.85 56.94 2uu9 n ARG 41 Cb 0.46 -0.12 -0.13 0.00 0.45 0.00 0.00 32.46 33.12 2uu9 n ARG 41 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 2uu9 s THR 42 N -1.16 -0.01 0.08 5.15 -1.32 -1.26 -3.01 115.64 114.11 2uu9 s THR 42 Ca 0.05 0.04 0.06 0.00 -1.21 0.00 0.00 61.69 60.64 2uu9 s THR 42 Cb -0.00 -0.17 -0.03 0.00 -1.51 0.00 0.00 72.50 70.79 2uu9 s THR 42 CO 0.04 0.02 -0.17 -0.69 -2.21 0.00 0.00 174.62 171.61 2uu9 s VAL 43 N 0.29 1.33 0.06 5.08 1.01 0.26 -4.90 120.40 123.54 2uu9 s VAL 43 Ca -0.02 -1.34 -0.17 0.00 0.00 0.00 0.00 61.98 60.45 2uu9 s VAL 43 Cb -0.03 -1.24 -0.06 0.00 0.00 0.00 0.00 36.38 35.05 2uu9 s VAL 43 CO -0.01 -0.12 0.52 0.42 0.00 0.00 0.00 175.10 175.91 2uu9 s THR 44 N -1.16 4.83 1.31 3.92 -4.23 -1.26 0.26 115.64 119.32 2uu9 s THR 44 Ca 0.02 1.06 -0.21 0.00 -1.18 0.00 0.00 61.69 61.37 2uu9 s THR 44 Cb -0.10 -3.82 0.33 0.00 1.34 0.00 0.00 72.50 70.25 2uu9 s THR 44 CO 0.03 0.51 1.04 -2.84 -0.54 0.00 0.00 174.62 172.82 2uu9 s PRO 45 N -1.23 -2.09 -0.09 3.99 0.02 -1.25 -4.92 135.00 129.42 2uu9 s PRO 45 Ca 0.29 -0.05 -0.03 0.00 0.02 0.00 0.00 61.00 61.23 2uu9 s PRO 45 Cb -0.18 -1.49 -0.03 0.00 0.02 0.00 0.00 34.50 32.81 2uu9 s PRO 45 CO 0.18 -4.29 0.02 -1.59 -0.33 0.00 0.00 177.00 170.99 2uu9 s LYS 46 N -5.33 3.05 0.00 5.54 -2.85 -0.46 -4.88 119.74 114.81 2uu9 s LYS 46 Ca 0.70 -0.37 0.00 0.00 -1.00 0.00 0.00 55.97 55.31 2uu9 s LYS 46 Cb -0.10 -2.85 0.00 0.00 -2.06 0.00 0.00 37.83 32.82 2uu9 s LYS 46 CO 0.56 0.71 0.00 1.17 0.10 0.00 0.00 175.35 177.89 2uu9 n LYS 47 N 2.13 0.00 -0.28 1.78 3.00 -1.26 -1.96 118.16 121.57 2uu9 n LYS 47 Ca -0.19 0.00 0.22 0.00 -0.00 0.00 0.00 58.31 58.34 2uu9 n LYS 47 Cb 0.54 0.00 0.36 0.00 0.00 0.00 0.00 35.03 35.93 2uu9 n LYS 47 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2uu9 n PRO 48 N 0.00 -0.01 -3.82 1.64 -0.04 -1.26 -4.43 135.00 127.08 2uu9 n PRO 48 Ca 0.00 0.60 -0.21 0.00 -0.04 0.00 0.00 63.50 63.84 2uu9 n PRO 48 Cb 0.00 -1.24 -0.04 0.00 -0.04 0.00 0.00 33.50 32.19 2uu9 n PRO 48 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2uu9 s ASN 49 N -4.27 5.17 -0.17 3.54 0.02 -0.83 -5.14 114.94 113.26 2uu9 s ASN 49 Ca -0.03 -0.57 -0.14 0.00 -1.02 0.00 0.00 52.86 51.10 2uu9 s ASN 49 Cb 0.15 -0.89 0.05 0.00 0.02 0.00 0.00 41.25 40.58 2uu9 s ASN 49 CO 0.42 -0.38 0.45 -0.55 0.02 0.00 0.00 177.10 177.06 2uu9 s SER 50 N -3.99 -0.51 0.00 -1.22 0.15 -1.26 -4.41 113.70 102.46 2uu9 s SER 50 Ca 0.41 0.93 0.00 0.00 0.70 0.00 0.00 55.95 57.99 2uu9 s SER 50 Cb -0.05 0.90 0.00 0.00 -1.71 0.00 0.00 66.02 65.16 2uu9 s SER 50 CO 0.26 -0.17 0.00 0.00 1.20 0.00 0.00 173.24 174.53 2uu9 n ALA 51 N 3.34 0.00 -3.62 5.45 0.00 -1.26 -4.97 120.51 119.45 2uu9 n ALA 51 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.88 2uu9 n ALA 51 Cb 0.56 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.93 2uu9 n ALA 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2uu9 s LEU 52 N 0.00 5.60 0.38 0.00 1.43 -1.26 -3.89 118.68 120.94 2uu9 s LEU 52 Ca 0.00 -2.72 -0.25 0.00 -1.03 0.00 0.00 54.13 50.13 2uu9 s LEU 52 Cb 0.00 -1.94 -0.09 0.00 0.03 0.00 0.00 46.19 44.19 2uu9 s LEU 52 CO 0.00 -0.44 1.05 -0.13 0.23 0.00 0.00 176.35 177.06 2uu9 s ARG 53 N 0.14 4.23 -0.09 1.70 0.52 0.14 -4.74 118.95 120.85 2uu9 s ARG 53 Ca 0.16 1.55 -0.20 0.00 -0.52 0.00 0.00 55.73 56.72 2uu9 s ARG 53 Cb -0.19 -2.63 -0.04 0.00 0.52 0.00 0.00 34.95 32.61 2uu9 s ARG 53 CO -0.04 -0.09 0.55 0.15 0.02 0.00 0.00 175.30 175.88 2uu9 s LYS 54 N -2.35 4.36 0.26 3.54 3.01 -1.26 0.90 119.74 128.19 2uu9 s LYS 54 Ca 0.56 0.59 0.02 0.00 -1.01 0.00 0.00 55.97 56.14 2uu9 s LYS 54 Cb -0.23 -3.43 -0.04 0.00 -1.01 0.00 0.00 37.83 33.12 2uu9 s LYS 54 CO 0.29 0.16 0.18 0.08 0.51 0.00 0.00 175.35 176.57 2uu9 s VAL 55 N 0.56 0.09 -0.23 3.17 1.01 -1.16 -2.32 120.40 121.51 2uu9 s VAL 55 Ca 0.30 -2.00 -0.12 0.00 0.00 0.00 0.00 61.98 60.16 2uu9 s VAL 55 Cb -0.16 -2.51 0.08 0.00 0.00 0.00 0.00 36.38 33.79 2uu9 s VAL 55 CO 0.13 0.00 0.55 0.00 0.00 0.00 0.00 175.10 175.78 2uu9 s ALA 56 N -3.83 -1.49 -0.34 5.51 0.00 -0.56 -3.07 121.76 117.98 2uu9 s ALA 56 Ca 0.39 1.97 -0.29 0.00 0.00 0.00 0.00 51.96 54.03 2uu9 s ALA 56 Cb 0.05 -1.26 0.01 0.00 0.00 0.00 0.00 23.12 21.93 2uu9 s ALA 56 CO 0.18 -0.43 1.21 0.21 0.00 0.00 0.00 175.76 176.93 2uu9 s LYS 57 N 1.77 3.91 -0.05 0.00 2.47 -0.43 -0.47 119.74 126.93 2uu9 s LYS 57 Ca -0.09 1.07 0.00 0.00 -1.56 0.00 0.00 55.97 55.39 2uu9 s LYS 57 Cb -0.08 -3.85 -0.03 0.00 -1.46 0.00 0.00 37.83 32.41 2uu9 s LYS 57 CO -0.16 -1.12 -0.03 0.08 0.16 0.00 0.00 175.35 174.28 2uu9 s VAL 58 N 4.23 4.03 -0.39 4.02 1.01 0.20 0.76 120.40 134.27 2uu9 s VAL 58 Ca 0.52 -0.44 -0.10 0.00 0.00 0.00 0.00 61.98 61.95 2uu9 s VAL 58 Cb -0.14 -2.71 0.05 0.00 0.00 0.00 0.00 36.38 33.58 2uu9 s VAL 58 CO 0.23 0.53 0.23 -0.60 0.00 0.00 0.00 175.10 175.49 2uu9 s ARG 59 N -1.06 2.73 0.47 2.72 3.52 0.46 -0.35 118.95 127.43 2uu9 s ARG 59 Ca 0.15 -1.25 -0.17 0.00 -0.13 0.00 0.00 55.73 54.32 2uu9 s ARG 59 Cb -0.11 -3.75 -0.09 0.00 -1.56 0.00 0.00 34.95 29.44 2uu9 s ARG 59 CO 0.04 -0.81 0.94 -0.51 -0.81 0.00 0.00 175.30 174.15 2uu9 s LEU 60 N 1.50 3.76 0.53 -0.88 2.01 0.39 -0.50 118.68 125.48 2uu9 s LEU 60 Ca 0.02 1.56 0.27 0.00 0.01 0.00 0.00 54.13 55.99 2uu9 s LEU 60 Cb -0.21 -4.45 1.47 0.00 0.01 0.00 0.00 46.19 43.01 2uu9 s LEU 60 CO 0.05 -0.48 2.08 0.71 1.01 0.00 0.00 176.35 179.72 2uu9 h THR 61 N 1.30 0.56 0.00 5.49 1.35 -1.25 -0.14 112.91 120.22 2uu9 h THR 61 Ca -0.48 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 2uu9 h THR 61 Cb 1.18 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 2uu9 h THR 61 CO 0.62 0.11 0.00 -1.54 -0.25 0.00 0.00 175.52 174.45 2uu9 n SER 62 N -3.66 0.00 0.00 5.36 3.41 -1.26 -4.82 113.62 112.65 2uu9 n SER 62 Ca -0.02 -0.56 0.00 0.00 -0.26 0.00 0.00 58.87 58.03 2uu9 n SER 62 Cb 0.23 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 2uu9 n SER 62 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2uu9 n GLY 63 N 0.16 1.56 3.88 5.00 0.00 -0.06 -4.92 105.19 110.80 2uu9 n GLY 63 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 2uu9 n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2uu9 s TYR 64 N -2.96 3.45 -0.28 1.61 1.51 -1.25 -4.86 117.35 114.56 2uu9 s TYR 64 Ca 0.00 0.81 0.01 0.00 -1.01 0.00 0.00 57.07 56.88 2uu9 s TYR 64 Cb 0.00 -2.22 0.08 0.00 -0.11 0.00 0.00 41.96 39.71 2uu9 s TYR 64 CO 0.00 0.20 0.02 -2.00 -1.11 0.00 0.00 175.55 172.66 2uu9 s GLU 65 N -3.18 1.29 0.16 -0.62 2.12 -1.26 0.15 118.70 117.36 2uu9 s GLU 65 Ca 0.47 -1.23 0.08 0.00 0.36 0.00 0.00 54.97 54.64 2uu9 s GLU 65 Cb -0.11 -2.56 -0.04 0.00 0.26 0.00 0.00 34.13 31.68 2uu9 s GLU 65 CO 0.25 -0.80 -0.17 0.14 -0.54 0.00 0.00 175.26 174.14 2uu9 s VAL 66 N 1.34 1.68 0.26 3.70 -7.23 0.53 -4.87 120.40 115.81 2uu9 s VAL 66 Ca 0.03 -1.89 -0.23 0.00 -1.81 0.00 0.00 61.98 58.08 2uu9 s VAL 66 Cb -0.18 -1.78 -0.09 0.00 0.56 0.00 0.00 36.38 34.88 2uu9 s VAL 66 CO -0.12 -0.37 0.82 0.42 -0.31 0.00 0.00 175.10 175.54 2uu9 s THR 67 N -2.17 4.41 0.01 5.32 -4.23 -1.26 0.62 115.64 118.34 2uu9 s THR 67 Ca 0.15 1.54 0.02 0.00 -1.18 0.00 0.00 61.69 62.21 2uu9 s THR 67 Cb -0.05 -3.94 -0.01 0.00 1.34 0.00 0.00 72.50 69.84 2uu9 s THR 67 CO 0.06 0.20 -0.06 0.00 -0.54 0.00 0.00 174.62 174.28 2uu9 s ALA 68 N -1.54 0.43 0.41 3.99 0.00 0.38 -4.39 121.76 121.04 2uu9 s ALA 68 Ca 0.45 -0.42 -0.23 0.00 0.00 0.00 0.00 51.96 51.76 2uu9 s ALA 68 Cb -0.18 -0.03 -0.09 0.00 0.00 0.00 0.00 23.12 22.82 2uu9 s ALA 68 CO 0.22 0.04 1.02 -0.47 0.00 0.00 0.00 175.76 176.57 2uu9 s TYR 69 N -0.64 3.27 -0.68 0.00 5.04 0.31 -1.50 117.35 123.16 2uu9 s TYR 69 Ca -0.03 1.64 0.01 0.00 -2.44 0.00 0.00 57.07 56.25 2uu9 s TYR 69 Cb -0.05 -3.06 0.17 0.00 0.35 0.00 0.00 41.96 39.37 2uu9 s TYR 69 CO -0.00 -0.50 0.48 0.42 -1.34 0.00 0.00 175.55 174.61 2uu9 s ILE 70 N -1.77 3.35 0.95 3.14 1.01 -0.98 -0.66 121.20 126.24 2uu9 s ILE 70 Ca 0.59 -3.62 -0.11 0.00 0.00 0.00 0.00 60.65 57.51 2uu9 s ILE 70 Cb -0.19 -3.18 0.16 0.00 0.01 0.00 0.00 42.46 39.26 2uu9 s ILE 70 CO 0.24 -0.94 1.11 -2.16 0.00 0.00 0.00 174.94 173.19 2uu9 s PRO 71 N -0.80 0.75 0.00 2.79 0.04 -1.26 -4.74 135.00 131.78 2uu9 s PRO 71 Ca 0.21 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.53 2uu9 s PRO 71 Cb -0.15 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.68 2uu9 s PRO 71 CO -0.08 -2.73 0.00 0.41 0.04 0.00 0.00 177.00 174.64 2uu9 n GLY 72 N 0.03 0.41 0.09 0.56 0.00 -1.26 -4.86 105.19 100.16 2uu9 n GLY 72 Ca 0.09 -1.70 -0.11 0.00 0.00 0.00 0.00 46.02 44.30 2uu9 n GLY 72 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2uu9 h GLU 73 N 0.00 -0.08 0.00 1.61 5.08 -1.98 -3.46 114.58 115.75 2uu9 h GLU 73 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2uu9 h GLU 73 Cb 0.00 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2uu9 h GLU 73 CO 0.00 0.52 0.00 0.41 -1.00 0.00 0.00 179.01 178.94 2uu9 n GLY 74 N 0.99 -2.73 0.00 -3.84 0.00 -1.26 -5.08 105.19 93.27 2uu9 n GLY 74 Ca -0.08 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.03 2uu9 n GLY 74 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2uu9 n HIS 75 N -0.41 0.00 -3.09 1.61 -0.00 -1.26 -5.04 115.22 107.04 2uu9 n HIS 75 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.49 2uu9 n HIS 75 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 29.95 2uu9 n HIS 75 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.34 176.61 2uu9 n ASN 76 N 0.00 2.68 -4.32 0.26 6.94 -1.26 -5.08 115.26 114.48 2uu9 n ASN 76 Ca 0.00 -3.34 -0.32 0.00 -0.02 0.00 0.00 54.58 50.90 2uu9 n ASN 76 Cb 0.00 -0.60 -0.15 0.00 -2.36 0.00 0.00 39.78 36.67 2uu9 n ASN 76 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2uu9 s LEU 77 N -2.86 2.44 0.45 -4.53 1.43 -1.26 -4.75 118.68 109.59 2uu9 s LEU 77 Ca 0.44 -0.41 0.03 0.00 -1.03 0.00 0.00 54.13 53.16 2uu9 s LEU 77 Cb 0.30 -1.51 -0.02 0.00 0.03 0.00 0.00 46.19 44.98 2uu9 s LEU 77 CO -0.11 0.19 0.07 -1.10 0.23 0.00 0.00 176.35 175.63 2uu9 s GLN 78 N 0.19 2.02 0.00 1.70 -0.21 -1.26 -4.92 119.66 117.18 2uu9 s GLN 78 Ca -0.11 -2.25 0.00 0.00 0.02 0.00 0.00 55.36 53.02 2uu9 s GLN 78 Cb -0.16 -1.05 0.00 0.00 1.00 0.00 0.00 33.01 32.81 2uu9 s GLN 78 CO 0.06 -0.39 0.70 -1.91 -2.12 0.00 0.00 175.29 171.63 2uu9 n GLU 79 N -1.04 0.00 -0.21 2.91 2.13 -1.26 -1.87 120.64 121.29 2uu9 n GLU 79 Ca -0.11 0.23 0.01 0.00 0.66 0.00 0.00 57.16 57.95 2uu9 n GLU 79 Cb 0.66 -1.72 0.02 0.00 0.27 0.00 0.00 31.44 30.67 2uu9 n GLU 79 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2uu9 n HIS 80 N -1.20 0.00 -1.92 4.31 8.25 -1.26 -4.20 115.22 119.19 2uu9 n HIS 80 Ca 0.00 -0.17 -0.42 0.00 -0.26 0.00 0.00 57.72 56.87 2uu9 n HIS 80 Cb 0.22 -0.04 -0.02 0.00 1.12 0.00 0.00 29.99 31.26 2uu9 n HIS 80 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2uu9 s SER 81 N -0.85 6.56 0.19 0.41 0.01 -0.78 -4.68 113.70 114.56 2uu9 s SER 81 Ca 0.04 2.72 -0.22 0.00 1.31 0.00 0.00 55.95 59.79 2uu9 s SER 81 Cb 0.03 -2.61 -0.08 0.00 0.21 0.00 0.00 66.02 63.57 2uu9 s SER 81 CO 0.00 -0.80 0.75 -0.69 0.41 0.00 0.00 173.24 172.91 2uu9 s VAL 82 N 0.44 4.48 0.16 3.43 1.01 -1.26 -1.61 120.40 127.04 2uu9 s VAL 82 Ca 0.64 1.49 -0.18 0.00 0.00 0.00 0.00 61.98 63.93 2uu9 s VAL 82 Cb -0.44 -3.99 0.04 0.00 0.00 0.00 0.00 36.38 31.99 2uu9 s VAL 82 CO 0.40 0.37 0.50 0.54 0.00 0.00 0.00 175.10 176.90 2uu9 s VAL 83 N -1.33 0.04 -0.19 2.92 0.11 -0.50 -1.37 120.40 120.07 2uu9 s VAL 83 Ca 0.39 -0.53 -0.05 0.00 -2.93 0.00 0.00 61.98 58.86 2uu9 s VAL 83 Cb -0.20 -1.30 -0.03 0.00 -1.53 0.00 0.00 36.38 33.33 2uu9 s VAL 83 CO 0.23 -0.16 0.01 -0.22 -3.33 0.00 0.00 175.10 171.63 2uu9 s LEU 84 N -2.82 3.40 0.15 2.54 2.96 -1.26 -0.94 118.68 122.72 2uu9 s LEU 84 Ca 0.05 -0.12 -0.17 0.00 -0.22 0.00 0.00 54.13 53.67 2uu9 s LEU 84 Cb 0.00 -1.86 -0.07 0.00 0.50 0.00 0.00 46.19 44.76 2uu9 s LEU 84 CO -0.08 0.10 0.62 -0.63 -1.32 0.00 0.00 176.35 175.04 2uu9 s ILE 85 N 0.76 4.72 -0.03 6.68 1.01 0.98 -0.96 121.20 134.36 2uu9 s ILE 85 Ca 0.01 1.09 0.01 0.00 0.00 0.00 0.00 60.65 61.76 2uu9 s ILE 85 Cb -0.14 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.49 2uu9 s ILE 85 CO 0.02 0.31 0.03 -2.11 0.00 0.00 0.00 174.94 173.20 2uu9 n ARG 86 N 1.01 4.94 -0.14 2.79 1.85 0.15 -1.79 116.66 125.48 2uu9 n ARG 86 Ca -0.06 -0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.79 2uu9 n ARG 86 Cb 0.51 -0.67 0.00 0.00 -1.05 0.00 0.00 32.46 31.25 2uu9 n ARG 86 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2uu9 n GLY 87 N 1.40 -3.26 0.00 2.89 0.00 -1.23 -4.79 105.19 100.20 2uu9 n GLY 87 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.97 2uu9 n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uu9 n GLY 88 N -0.75 3.21 3.91 -0.02 0.00 -0.49 -4.31 105.19 106.74 2uu9 n GLY 88 Ca 0.00 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 2uu9 n GLY 88 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2uu9 s ARG 89 N -1.70 1.59 -0.23 1.61 1.04 -1.12 -2.68 118.95 117.47 2uu9 s ARG 89 Ca 0.00 -0.06 -0.07 0.00 -1.04 0.00 0.00 55.73 54.56 2uu9 s ARG 89 Cb 0.00 -1.93 -0.03 0.00 -2.04 0.00 0.00 34.95 30.95 2uu9 s ARG 89 CO 0.00 -1.81 0.05 0.08 -0.04 0.00 0.00 175.30 173.57 2uu9 s VAL 90 N -3.65 4.22 0.36 4.99 1.01 -0.47 -4.92 120.40 121.93 2uu9 s VAL 90 Ca 0.65 -0.21 0.08 0.00 0.00 0.00 0.00 61.98 62.51 2uu9 s VAL 90 Cb -0.09 -2.95 0.14 0.00 0.00 0.00 0.00 36.38 33.48 2uu9 s VAL 90 CO 0.50 0.38 1.87 0.50 0.00 0.00 0.00 175.10 178.35 2uu9 h LYS 91 N 7.91 0.27 -0.00 2.72 3.11 -1.97 -3.14 116.57 125.47 2uu9 h LYS 91 Ca -0.38 -0.07 0.00 0.00 -2.81 0.00 0.00 60.65 57.39 2uu9 h LYS 91 Cb 1.17 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.37 2uu9 h LYS 91 CO 0.60 0.44 -0.39 -0.25 -2.81 0.00 0.00 179.45 177.03 2uu9 n ASP 92 N -4.23 0.49 -3.95 4.20 9.92 -1.26 -4.70 116.55 117.02 2uu9 n ASP 92 Ca -0.01 -0.23 -0.31 0.00 -0.53 0.00 0.00 54.79 53.71 2uu9 n ASP 92 Cb 0.30 0.13 -0.15 0.00 -0.64 0.00 0.00 41.12 40.76 2uu9 n ASP 92 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2uu9 s LEU 93 N -2.92 4.25 0.47 0.64 1.43 -1.19 -1.36 118.68 120.00 2uu9 s LEU 93 Ca 0.14 -2.32 -0.24 0.00 -1.03 0.00 0.00 54.13 50.67 2uu9 s LEU 93 Cb 0.18 -1.51 -0.07 0.00 0.03 0.00 0.00 46.19 44.82 2uu9 s LEU 93 CO 0.65 -0.34 1.42 -2.84 0.23 0.00 0.00 176.35 175.47 2uu9 s PRO 94 N 0.68 3.55 0.00 1.29 0.02 -1.26 -2.29 135.00 136.99 2uu9 s PRO 94 Ca 0.13 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.55 2uu9 s PRO 94 Cb -0.21 -2.57 0.00 0.00 0.02 0.00 0.00 34.50 31.75 2uu9 s PRO 94 CO -0.08 -0.92 0.00 0.41 -0.33 0.00 0.00 177.00 176.08 2uu9 n GLY 95 N 0.61 0.72 3.04 0.52 0.00 -1.26 -5.01 105.19 103.81 2uu9 n GLY 95 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 2uu9 n GLY 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2uu9 s VAL 96 N -2.48 2.50 -0.98 1.61 1.01 -0.97 -4.64 120.40 116.45 2uu9 s VAL 96 Ca 0.00 -2.34 0.10 0.00 0.00 0.00 0.00 61.98 59.74 2uu9 s VAL 96 Cb 0.00 -2.81 0.19 0.00 0.00 0.00 0.00 36.38 33.76 2uu9 s VAL 96 CO 0.00 -0.63 1.05 0.54 0.00 0.00 0.00 175.10 176.06 2uu9 n ARG 97 N 4.26 1.84 -4.05 2.72 1.74 -1.26 -1.37 116.66 120.54 2uu9 n ARG 97 Ca 0.03 -1.61 -0.13 0.00 -0.77 0.00 0.00 57.85 55.37 2uu9 n ARG 97 Cb 0.41 -1.22 -0.13 0.00 -1.02 0.00 0.00 32.46 30.51 2uu9 n ARG 97 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2uu9 s TYR 98 N -0.92 0.41 0.11 -1.55 1.51 -1.21 -1.39 117.35 114.31 2uu9 s TYR 98 Ca 0.17 -0.27 0.03 0.00 -1.01 0.00 0.00 57.07 55.99 2uu9 s TYR 98 Cb 0.10 -0.26 -0.04 0.00 -0.11 0.00 0.00 41.96 41.65 2uu9 s TYR 98 CO 0.13 -0.06 0.16 -1.01 -1.11 0.00 0.00 175.55 173.66 2uu9 s HIS 99 N -0.69 3.30 -0.16 2.71 3.76 -1.09 -0.53 115.29 122.59 2uu9 s HIS 99 Ca -0.05 0.09 -0.14 0.00 -0.15 0.00 0.00 55.06 54.81 2uu9 s HIS 99 Cb -0.05 -1.63 -0.05 0.00 1.11 0.00 0.00 32.58 31.97 2uu9 s HIS 99 CO -0.00 0.53 0.31 0.42 -0.85 0.00 0.00 174.74 175.15 2uu9 s ILE 100 N -1.58 5.30 0.05 0.60 1.01 0.17 0.33 121.20 127.08 2uu9 s ILE 100 Ca 0.32 0.58 -0.31 0.00 0.00 0.00 0.00 60.65 61.25 2uu9 s ILE 100 Cb -0.12 -3.65 -0.06 0.00 0.01 0.00 0.00 42.46 38.65 2uu9 s ILE 100 CO 0.25 0.38 1.21 -0.69 0.00 0.00 0.00 174.94 176.09 2uu9 s VAL 101 N 0.50 4.01 -0.03 2.92 1.01 -0.14 -4.62 120.40 124.05 2uu9 s VAL 101 Ca 0.17 1.44 -0.14 0.00 0.00 0.00 0.00 61.98 63.46 2uu9 s VAL 101 Cb -0.13 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 2uu9 s VAL 101 CO 0.04 0.10 0.36 -0.13 0.00 0.00 0.00 175.10 175.48 2uu9 s ARG 102 N 1.17 3.88 0.00 2.72 0.52 -1.26 -4.12 118.95 121.86 2uu9 s ARG 102 Ca 0.59 0.31 0.00 0.00 -0.52 0.00 0.00 55.73 56.11 2uu9 s ARG 102 Cb -0.29 -3.24 0.00 0.00 0.52 0.00 0.00 34.95 31.94 2uu9 s ARG 102 CO 0.29 0.65 0.00 0.41 0.02 0.00 0.00 175.30 176.67 2uu9 n GLY 103 N 2.00 0.68 3.07 -3.53 0.00 0.35 -3.39 105.19 104.37 2uu9 n GLY 103 Ca -0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 2uu9 n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2uu9 s VAL 104 N -2.00 1.43 0.00 1.61 1.01 -1.20 -4.90 120.40 116.34 2uu9 s VAL 104 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.35 2uu9 s VAL 104 Cb 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 36.38 35.09 2uu9 s VAL 104 CO 0.00 0.42 0.00 -1.22 0.00 0.00 0.00 175.10 174.30 2uu9 n TYR 105 N 3.94 -0.00 0.63 5.22 0.53 -1.26 -3.38 117.16 122.84 2uu9 n TYR 105 Ca -0.20 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.68 2uu9 n TYR 105 Cb 0.52 0.05 0.00 0.00 -1.03 0.00 0.00 39.34 38.87 2uu9 n TYR 105 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 2uu9 n ASP 106 N -0.91 0.34 -4.08 7.72 10.43 -0.47 -4.47 116.55 125.11 2uu9 n ASP 106 Ca 0.00 -0.97 -0.35 0.00 2.57 0.00 0.00 54.79 56.04 2uu9 n ASP 106 Cb 0.00 -0.17 -0.12 0.00 1.84 0.00 0.00 41.12 42.67 2uu9 n ASP 106 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2uu9 s ALA 107 N -1.29 3.20 0.89 2.24 0.00 -1.22 -4.73 121.76 120.85 2uu9 s ALA 107 Ca 0.00 -2.75 -0.11 0.00 0.00 0.00 0.00 51.96 49.10 2uu9 s ALA 107 Cb 0.00 -2.35 0.13 0.00 0.00 0.00 0.00 23.12 20.90 2uu9 s ALA 107 CO 0.00 -1.86 1.16 0.00 0.00 0.00 0.00 175.76 175.06 2uu9 s ALA 108 N 0.72 1.57 -0.07 0.00 0.00 -1.26 -0.50 121.76 122.22 2uu9 s ALA 108 Ca 0.11 0.65 -0.13 0.00 0.00 0.00 0.00 51.96 52.59 2uu9 s ALA 108 Cb -0.22 -3.46 -0.05 0.00 0.00 0.00 0.00 23.12 19.39 2uu9 s ALA 108 CO -0.04 -2.64 0.34 0.20 0.00 0.00 0.00 175.76 173.61 2uu9 s GLY 109 N -2.55 2.35 -0.33 0.00 0.00 -1.26 -3.92 107.32 101.61 2uu9 s GLY 109 Ca 0.68 -0.34 -0.33 0.00 0.00 0.00 0.00 44.72 44.73 2uu9 s GLY 109 CO 0.56 0.18 1.11 -0.62 0.00 0.00 0.00 173.10 174.33 2uu9 n VAL 110 N 2.43 0.00 -3.19 1.40 0.31 -0.74 -4.78 118.33 113.76 2uu9 n VAL 110 Ca -0.14 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.85 2uu9 n VAL 110 Cb 0.53 -0.33 -0.06 0.00 -0.91 0.00 0.00 33.84 33.06 2uu9 n VAL 110 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2uu9 s LYS 111 N 2.00 4.04 -0.53 5.55 2.47 -1.26 -3.85 119.74 128.16 2uu9 s LYS 111 Ca 0.74 0.65 0.00 0.00 -1.56 0.00 0.00 55.97 55.80 2uu9 s LYS 111 Cb -1.05 -2.65 0.00 0.00 -1.46 0.00 0.00 37.83 32.67 2uu9 s LYS 111 CO 0.57 0.28 0.00 -0.25 0.16 0.00 0.00 175.35 176.11 2uu9 n ASP 112 N 0.11 -4.27 -4.64 1.43 10.43 -1.26 -4.94 116.55 113.41 2uu9 n ASP 112 Ca 0.00 0.12 -0.43 0.00 2.57 0.00 0.00 54.79 57.06 2uu9 n ASP 112 Cb 0.52 -2.21 -0.02 0.00 1.84 0.00 0.00 41.12 41.25 2uu9 n ASP 112 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 2uu9 s ARG 113 N -1.91 4.07 -0.00 -1.24 3.00 -1.25 -4.91 118.95 116.72 2uu9 s ARG 113 Ca 0.00 1.11 0.13 0.00 -1.00 0.00 0.00 55.73 55.97 2uu9 s ARG 113 Cb 0.00 -3.74 -0.16 0.00 0.00 0.00 0.00 34.95 31.05 2uu9 s ARG 113 CO 0.00 -0.90 0.50 1.63 0.00 0.00 0.00 175.30 176.53 2uu9 n LYS 114 N 6.86 2.23 0.00 5.12 5.02 -1.26 -4.80 118.16 131.33 2uu9 n LYS 114 Ca 0.12 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 2uu9 n LYS 114 Cb 0.47 -1.16 0.00 0.00 -0.02 0.00 0.00 35.03 34.32 2uu9 n LYS 114 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2uu9 n LYS 115 N -1.45 0.00 -0.47 1.97 5.02 -1.26 -4.72 118.16 117.26 2uu9 n LYS 115 Ca 0.01 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.23 2uu9 n LYS 115 Cb 0.23 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.18 2uu9 n LYS 115 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2uu9 n SER 116 N 0.00 2.58 -0.33 4.39 7.64 -1.26 -4.58 113.62 122.05 2uu9 n SER 116 Ca 0.00 -1.98 0.08 0.00 1.01 0.00 0.00 58.87 57.98 2uu9 n SER 116 Cb 0.00 -0.68 0.25 0.00 -1.01 0.00 0.00 64.21 62.76 2uu9 n SER 116 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2uu9 h ARG 117 N 4.95 0.77 -0.69 1.43 3.08 -1.87 -2.28 114.38 119.77 2uu9 h ARG 117 Ca 0.13 -0.05 0.10 0.00 0.07 0.00 0.00 59.98 60.24 2uu9 h ARG 117 Cb 0.60 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.43 2uu9 h ARG 117 CO 0.52 0.51 0.46 0.66 -1.07 0.00 0.00 179.97 181.04 2uu9 h SER 118 N 0.79 0.48 -3.53 7.04 4.64 -1.83 -2.04 113.55 119.11 2uu9 h SER 118 Ca 0.49 0.01 -0.52 0.00 -0.47 0.00 0.00 61.79 61.30 2uu9 h SER 118 Cb 0.63 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.60 2uu9 h SER 118 CO -0.32 0.29 0.04 -0.54 -0.87 0.00 0.00 176.83 175.42 2uu9 s LYS 119 N -5.50 4.10 0.00 4.77 1.02 -0.86 -3.28 119.74 119.99 2uu9 s LYS 119 Ca -0.08 0.69 0.00 0.00 0.02 0.00 0.00 55.97 56.59 2uu9 s LYS 119 Cb 0.20 -2.79 0.00 0.00 -0.52 0.00 0.00 37.83 34.72 2uu9 s LYS 119 CO 0.76 0.36 0.00 0.66 -0.92 0.00 0.00 175.35 176.21 2uu9 n TYR 120 N 0.46 0.00 -4.04 3.18 4.02 -1.26 -4.46 117.16 115.07 2uu9 n TYR 120 Ca -0.02 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.48 2uu9 n TYR 120 Cb 0.52 -0.13 0.01 0.00 -0.02 0.00 0.00 39.34 39.72 2uu9 n TYR 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2uu9 n GLY 121 N -2.38 -0.65 3.21 2.72 0.00 -1.14 -1.78 105.19 105.16 2uu9 n GLY 121 Ca 0.00 0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.94 2uu9 n GLY 121 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2uu9 s THR 122 N -3.80 3.03 0.94 2.61 2.01 -0.78 -4.23 115.64 115.43 2uu9 s THR 122 Ca 0.39 -1.11 -0.12 0.00 0.31 0.00 0.00 61.69 61.16 2uu9 s THR 122 Cb -0.22 -2.61 0.08 0.00 0.01 0.00 0.00 72.50 69.76 2uu9 s THR 122 CO 0.82 0.08 0.67 0.29 -0.69 0.00 0.00 174.62 175.79 2uu9 n LYS 123 N 4.68 -0.37 -2.42 4.92 5.02 -1.26 -4.66 118.16 124.06 2uu9 n LYS 123 Ca -0.15 -0.06 -0.43 0.00 -2.02 0.00 0.00 58.31 55.66 2uu9 n LYS 123 Cb 0.46 -2.04 -0.02 0.00 -0.02 0.00 0.00 35.03 33.41 2uu9 n LYS 123 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2uu9 s LYS 124 N -3.99 4.29 0.69 1.97 2.20 -1.26 -5.03 119.74 118.62 2uu9 s LYS 124 Ca 0.60 1.69 -0.11 0.00 -0.36 0.00 0.00 55.97 57.80 2uu9 s LYS 124 Cb -0.22 -3.66 0.01 0.00 -1.51 0.00 0.00 37.83 32.45 2uu9 s LYS 124 CO 0.64 -0.58 1.06 -1.25 -0.36 0.00 0.00 175.35 174.86 2uu9 s PRO 125 N 2.84 2.95 0.01 4.03 0.04 -1.26 -5.00 135.00 138.61 2uu9 s PRO 125 Ca 0.56 0.89 -0.30 0.00 0.04 0.00 0.00 61.00 62.19 2uu9 s PRO 125 Cb -0.24 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 2uu9 s PRO 125 CO 0.19 -1.07 1.01 -1.59 0.04 0.00 0.00 177.00 175.58 2uu9 s LYS 126 N -5.08 4.54 -0.11 4.56 0.00 -1.26 -5.05 119.74 117.35 2uu9 s LYS 126 Ca 0.58 1.48 -0.04 0.00 0.00 0.00 0.00 55.97 57.99 2uu9 s LYS 126 Cb -0.14 -3.44 -0.04 0.00 0.00 0.00 0.00 37.83 34.22 2uu9 s LYS 126 CO 0.55 -0.07 0.05 -1.83 0.00 0.00 0.00 175.35 174.04 2uu9 s GLU 127 N 0.98 3.25 0.00 1.78 -1.05 -1.26 -5.04 118.70 117.36 2uu9 s GLU 127 Ca 0.53 -0.32 0.00 0.00 -0.15 0.00 0.00 54.97 55.03 2uu9 s GLU 127 Cb -0.22 -2.96 0.00 0.00 -0.44 0.00 0.00 34.13 30.51 2uu9 s GLU 127 CO 0.28 0.66 0.00 0.00 0.95 0.00 0.00 175.26 177.16 2uu9 n ALA 128 N 2.29 0.00 0.00 -0.84 0.00 -1.26 -5.35 120.51 115.36 2uu9 n ALA 128 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2uu9 n ALA 128 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 2uu9 n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50