#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwq h ASN 2 N 0.00 0.00 0.00 6.43 2.35 -2.05 -2.59 115.58 119.72 2wwq h ASN 2 Ca 0.00 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 2wwq h ASN 2 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 2wwq h ASN 2 CO 0.00 0.00 -1.58 -0.38 -1.65 0.00 0.00 177.43 173.82 2wwq n ILE 3 N -2.38 0.23 -0.62 2.81 2.08 -1.26 -3.09 119.36 117.13 2wwq n ILE 3 Ca 0.02 -0.32 0.10 0.00 0.56 0.00 0.00 62.75 63.11 2wwq n ILE 3 Cb 0.26 -0.06 0.36 0.00 -0.75 0.00 0.00 39.64 39.44 2wwq n ILE 3 CO 0.00 0.00 0.00 2.30 0.56 0.00 0.00 176.55 179.41 2wwq n ILE 4 N -2.05 1.81 -0.12 1.39 -5.35 -1.19 -3.91 119.36 109.93 2wwq n ILE 4 Ca -0.07 -1.20 -0.18 0.00 -0.27 0.00 0.00 62.75 61.03 2wwq n ILE 4 Cb 0.47 0.14 -0.11 0.00 -1.74 0.00 0.00 39.64 38.40 2wwq n ILE 4 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 2wwq n LYS 5 N 1.13 0.60 -0.02 6.28 4.81 -0.98 -3.41 118.16 126.56 2wwq n LYS 5 Ca 0.26 0.15 -0.11 0.00 -0.87 0.00 0.00 58.31 57.74 2wwq n LYS 5 Cb 0.88 -1.48 -0.06 0.00 0.02 0.00 0.00 35.03 34.39 2wwq n LYS 5 CO 0.00 0.00 0.00 -0.56 1.17 0.00 0.00 177.40 178.01 2wwq h GLN 6 N -0.12 0.17 -0.98 1.64 3.07 -1.71 -0.10 115.11 117.08 2wwq h GLN 6 Ca -0.56 -0.03 0.02 0.00 0.09 0.00 0.00 58.65 58.17 2wwq h GLN 6 Cb 1.81 -0.03 -0.05 0.00 0.08 0.00 0.00 27.48 29.29 2wwq h GLN 6 CO -0.12 0.29 0.64 1.25 0.09 0.00 0.00 178.83 180.98 2wwq h LEU 7 N 0.01 1.09 -0.08 0.06 5.85 -1.80 -2.03 115.31 118.41 2wwq h LEU 7 Ca 0.04 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 2wwq h LEU 7 Cb 0.19 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 2wwq h LEU 7 CO -0.00 0.77 -0.10 -0.08 -0.34 0.00 0.00 178.44 178.69 2wwq h GLU 8 N 1.28 0.21 -1.02 1.25 4.81 -1.52 -2.69 114.58 116.90 2wwq h GLU 8 Ca 0.38 -0.12 0.26 0.00 -0.13 0.00 0.00 59.36 59.74 2wwq h GLU 8 Cb -0.07 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.23 2wwq h GLU 8 CO -0.10 0.66 0.66 1.96 -0.73 0.00 0.00 179.01 181.46 2wwq h GLN 9 N -0.22 0.36 0.00 1.92 4.20 -0.90 -1.07 115.11 119.40 2wwq h GLN 9 Ca 0.01 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2wwq h GLN 9 Cb 0.62 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.32 2wwq h GLN 9 CO 0.02 0.24 0.12 1.49 -0.67 0.00 0.00 178.83 180.03 2wwq h GLU 10 N 0.37 0.00 0.00 1.46 4.81 -1.02 -2.38 114.58 117.81 2wwq h GLU 10 Ca 0.56 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.79 2wwq h GLU 10 Cb 1.47 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.85 2wwq h GLU 10 CO -0.25 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 179.07 2wwq n GLN 11 N -2.24 3.85 -2.80 1.92 1.13 -0.49 -4.92 117.38 113.84 2wwq n GLN 11 Ca -0.01 -0.07 -0.42 0.00 -1.94 0.00 0.00 57.00 54.56 2wwq n GLN 11 Cb 0.15 -0.45 -0.03 0.00 0.11 0.00 0.00 30.24 30.02 2wwq n GLN 11 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 2wwq s MET 12 N -0.57 4.18 0.00 -1.09 -1.94 -0.70 -4.63 119.30 114.55 2wwq s MET 12 Ca 0.00 1.07 0.00 0.00 -1.71 0.00 0.00 55.69 55.05 2wwq s MET 12 Cb 0.00 -3.66 0.00 0.00 2.01 0.00 0.00 34.83 33.18 2wwq s MET 12 CO 0.00 -0.60 0.00 0.36 -0.01 0.00 0.00 175.02 174.77 2wwq n LYS 13 N 6.20 0.00 -3.68 2.03 -0.00 -1.26 -4.92 118.16 116.54 2wwq n LYS 13 Ca 0.08 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 58.07 2wwq n LYS 13 Cb 0.47 0.00 -0.05 0.00 -0.00 0.00 0.00 35.03 35.45 2wwq n LYS 13 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2wwq s GLN 14 N 0.00 3.62 -0.16 -1.58 -1.52 -1.26 -5.09 119.66 113.68 2wwq s GLN 14 Ca 0.00 -0.07 -0.01 0.00 -1.95 0.00 0.00 55.36 53.33 2wwq s GLN 14 Cb 0.00 -2.89 0.04 0.00 -0.22 0.00 0.00 33.01 29.94 2wwq s GLN 14 CO 0.00 0.49 -0.05 -0.51 -0.25 0.00 0.00 175.29 174.97 2wwq s ASP 15 N -2.31 2.74 0.20 5.90 1.11 -1.26 -5.12 116.67 117.93 2wwq s ASP 15 Ca 0.39 -0.61 -0.01 0.00 0.18 0.00 0.00 52.55 52.49 2wwq s ASP 15 Cb -0.12 -0.89 -0.04 0.00 1.07 0.00 0.00 42.92 42.94 2wwq s ASP 15 CO 0.23 -0.18 0.15 0.68 1.18 0.00 0.00 175.17 177.23 2wwq s VAL 16 N 1.65 0.00 0.00 -1.27 -7.23 -1.26 -5.14 120.40 107.15 2wwq s VAL 16 Ca 0.01 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 2wwq s VAL 16 Cb -0.15 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.30 2wwq s VAL 16 CO -0.08 0.00 0.00 -2.65 -0.31 0.00 0.00 175.10 172.06 2wwq n PRO 17 N -0.28 0.51 -4.82 4.82 -0.02 -1.26 -5.07 135.00 128.88 2wwq n PRO 17 Ca 0.02 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.17 2wwq n PRO 17 Cb 0.66 0.00 -0.15 0.00 -0.02 0.00 0.00 33.50 33.99 2wwq n PRO 17 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2wwq s SER 18 N -1.00 3.93 -0.21 2.55 0.15 -1.26 -5.11 113.70 112.76 2wwq s SER 18 Ca 0.00 -0.34 0.01 0.00 0.70 0.00 0.00 55.95 56.32 2wwq s SER 18 Cb 0.00 -1.57 0.04 0.00 -1.71 0.00 0.00 66.02 62.78 2wwq s SER 18 CO 0.00 0.17 -0.11 -0.36 1.20 0.00 0.00 173.24 174.14 2wwq s PHE 19 N 0.32 2.58 -0.35 3.44 0.08 -1.26 -5.09 117.98 117.70 2wwq s PHE 19 Ca -0.11 -1.71 -0.04 0.00 0.12 0.00 0.00 56.93 55.19 2wwq s PHE 19 Cb -0.16 -1.71 0.07 0.00 -0.57 0.00 0.00 43.02 40.65 2wwq s PHE 19 CO 0.06 -0.77 0.10 0.50 -0.10 0.00 0.00 175.22 175.01 2wwq s ARG 20 N 1.34 2.35 0.61 0.44 6.06 -1.26 -4.90 118.95 123.60 2wwq s ARG 20 Ca -0.02 -1.43 -0.18 0.00 -2.50 0.00 0.00 55.73 51.61 2wwq s ARG 20 Cb -0.17 -3.40 -0.10 0.00 0.06 0.00 0.00 34.95 31.35 2wwq s ARG 20 CO -0.08 -0.79 0.28 -2.30 -2.50 0.00 0.00 175.30 169.91 2wwq n PRO 21 N 4.67 0.30 -0.45 5.12 -0.02 -1.26 -4.17 135.00 139.19 2wwq n PRO 21 Ca -0.09 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 2wwq n PRO 21 Cb 0.43 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 2wwq n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wwq n GLY 22 N 2.04 1.22 3.83 -1.23 0.00 -1.23 -4.66 105.19 105.16 2wwq n GLY 22 Ca 0.10 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 2wwq n GLY 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wwq s ASP 23 N -2.29 6.81 -0.22 1.61 1.01 -1.26 -2.06 116.67 120.28 2wwq s ASP 23 Ca 0.00 0.97 -0.04 0.00 0.71 0.00 0.00 52.55 54.19 2wwq s ASP 23 Cb 0.00 -2.26 -0.19 0.00 1.01 0.00 0.00 42.92 41.48 2wwq s ASP 23 CO 0.00 0.31 -0.05 0.41 0.21 0.00 0.00 175.17 176.05 2wwq n THR 24 N 1.88 1.58 -1.37 -1.27 -1.04 -0.46 -2.09 114.28 111.51 2wwq n THR 24 Ca -0.14 -0.54 0.17 0.00 -2.04 0.00 0.00 64.05 61.50 2wwq n THR 24 Cb 0.52 -1.60 -0.09 0.00 -1.82 0.00 0.00 70.33 67.34 2wwq n THR 24 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2wwq n VAL 25 N -3.51 -0.81 -3.46 12.58 0.24 -1.04 -1.83 118.33 120.50 2wwq n VAL 25 Ca -0.42 0.86 -0.22 0.00 -2.04 0.00 0.00 64.34 62.52 2wwq n VAL 25 Cb 0.98 -1.32 -0.12 0.00 -1.47 0.00 0.00 33.84 31.90 2wwq n VAL 25 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2wwq s GLU 26 N -4.13 0.27 0.13 7.34 2.12 -1.18 -4.00 118.70 119.24 2wwq s GLU 26 Ca 0.00 -0.26 -0.28 0.00 0.36 0.00 0.00 54.97 54.79 2wwq s GLU 26 Cb 0.00 -0.88 -0.07 0.00 0.26 0.00 0.00 34.13 33.45 2wwq s GLU 26 CO 0.00 -1.00 0.87 0.08 -0.54 0.00 0.00 175.26 174.66 2wwq s VAL 27 N 2.26 4.45 -0.27 3.70 1.01 -0.64 -2.70 120.40 128.22 2wwq s VAL 27 Ca 0.09 1.88 0.00 0.00 0.00 0.00 0.00 61.98 63.95 2wwq s VAL 27 Cb -0.15 -4.23 0.05 0.00 0.00 0.00 0.00 36.38 32.05 2wwq s VAL 27 CO -0.33 0.41 -0.07 -0.54 0.00 0.00 0.00 175.10 174.57 2wwq s LYS 28 N -0.49 2.48 -0.02 2.72 -0.14 -0.84 -1.61 119.74 121.84 2wwq s LYS 28 Ca 0.41 -1.21 0.07 0.00 -1.36 0.00 0.00 55.97 53.88 2wwq s LYS 28 Cb -0.23 -2.99 -0.02 0.00 -1.68 0.00 0.00 37.83 32.91 2wwq s LYS 28 CO 0.28 -0.53 -0.24 0.14 -0.76 0.00 0.00 175.35 174.24 2wwq s VAL 29 N 1.21 1.90 -0.16 3.17 -7.23 -0.77 -3.98 120.40 114.54 2wwq s VAL 29 Ca -0.05 -1.02 -0.29 0.00 -1.81 0.00 0.00 61.98 58.82 2wwq s VAL 29 Cb -0.19 -1.58 -0.05 0.00 0.56 0.00 0.00 36.38 35.12 2wwq s VAL 29 CO -0.04 0.54 2.03 0.26 -0.31 0.00 0.00 175.10 177.58 2wwq s TRP 30 N -0.49 1.38 -0.08 2.82 0.51 -1.08 -2.01 118.94 119.99 2wwq s TRP 30 Ca 0.07 0.29 -0.26 0.00 -2.12 0.00 0.00 56.10 54.08 2wwq s TRP 30 Cb -0.10 -4.04 -0.27 0.00 -0.81 0.00 0.00 33.47 28.26 2wwq s TRP 30 CO -0.00 -4.22 0.89 0.28 -0.51 0.00 0.00 176.95 173.40 2wwq h VAL 31 N 6.59 1.64 -5.64 4.03 2.07 -1.74 -3.47 116.25 119.73 2wwq h VAL 31 Ca -0.42 -2.25 -0.32 0.00 0.82 0.00 0.00 66.70 64.53 2wwq h VAL 31 Cb 1.22 3.13 0.17 0.00 -1.52 0.00 0.00 31.29 34.29 2wwq h VAL 31 CO 0.97 0.61 -0.78 0.52 0.02 0.00 0.00 177.57 178.91 2wwq n VAL 32 N -4.45 -6.24 -0.24 2.57 0.31 -1.05 -4.97 118.33 104.26 2wwq n VAL 32 Ca -0.11 -0.57 -0.10 0.00 -0.01 0.00 0.00 64.34 63.55 2wwq n VAL 32 Cb 0.58 -5.12 -0.08 0.00 -0.91 0.00 0.00 33.84 28.31 2wwq n VAL 32 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2wwq h GLU 33 N -1.84 -0.15 -0.27 5.55 4.81 -1.95 -3.38 114.58 117.36 2wwq h GLU 33 Ca -0.59 0.01 -0.22 0.00 -0.13 0.00 0.00 59.36 58.43 2wwq h GLU 33 Cb 1.34 0.03 -0.27 0.00 0.63 0.00 0.00 28.75 30.48 2wwq h GLU 33 CO 0.50 -0.10 -0.70 0.41 -0.73 0.00 0.00 179.01 178.39 2wwq n GLY 34 N -1.25 1.82 0.53 1.92 0.00 -1.26 -4.84 105.19 102.10 2wwq n GLY 34 Ca -0.00 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.40 2wwq n GLY 34 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wwq n SER 35 N -0.94 -0.28 -4.75 1.61 7.64 -1.26 -5.08 113.62 110.56 2wwq n SER 35 Ca -0.04 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.45 2wwq n SER 35 Cb 0.84 -0.13 -0.06 0.00 -1.01 0.00 0.00 64.21 63.85 2wwq n SER 35 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2wwq s LYS 36 N -1.78 4.30 -0.41 1.43 1.02 -1.26 -4.96 119.74 118.07 2wwq s LYS 36 Ca 0.00 0.61 0.06 0.00 0.02 0.00 0.00 55.97 56.65 2wwq s LYS 36 Cb 0.00 -3.37 0.68 0.00 -0.52 0.00 0.00 37.83 34.61 2wwq s LYS 36 CO 0.00 0.30 1.87 1.63 -0.92 0.00 0.00 175.35 178.22 2wwq n LYS 37 N 3.07 2.53 -1.50 1.68 4.76 -1.26 -2.52 118.16 124.92 2wwq n LYS 37 Ca -0.07 -3.04 -0.36 0.00 -2.87 0.00 0.00 58.31 51.97 2wwq n LYS 37 Cb 0.51 -2.16 0.08 0.00 -1.84 0.00 0.00 35.03 31.62 2wwq n LYS 37 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 2wwq n ARG 38 N -0.95 0.74 -3.87 1.97 1.85 -1.26 -4.94 116.66 110.20 2wwq n ARG 38 Ca 0.54 0.31 -0.27 0.00 -1.00 0.00 0.00 57.85 57.44 2wwq n ARG 38 Cb 1.58 -2.36 -0.17 0.00 -1.05 0.00 0.00 32.46 30.46 2wwq n ARG 38 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2wwq s LEU 39 N -3.75 1.19 -0.18 2.89 1.43 -1.26 -2.85 118.68 116.15 2wwq s LEU 39 Ca 0.77 -0.38 -0.09 0.00 -1.03 0.00 0.00 54.13 53.41 2wwq s LEU 39 Cb -0.36 -0.78 -0.05 0.00 0.03 0.00 0.00 46.19 45.04 2wwq s LEU 39 CO 0.46 -0.16 0.11 -1.58 0.23 0.00 0.00 176.35 175.41 2wwq s GLN 40 N 1.74 4.00 0.33 1.70 0.74 -0.85 -4.71 119.66 122.62 2wwq s GLN 40 Ca 0.04 -0.24 -0.26 0.00 0.05 0.00 0.00 55.36 54.94 2wwq s GLN 40 Cb -0.13 -3.32 -0.10 0.00 1.10 0.00 0.00 33.01 30.56 2wwq s GLN 40 CO -0.08 0.37 0.98 0.00 -0.55 0.00 0.00 175.29 176.02 2wwq s ALA 41 N 0.13 3.22 -0.45 1.58 0.00 -1.25 -1.85 121.76 123.12 2wwq s ALA 41 Ca 0.08 0.61 0.06 0.00 0.00 0.00 0.00 51.96 52.71 2wwq s ALA 41 Cb -0.11 -3.22 0.22 0.00 0.00 0.00 0.00 23.12 20.01 2wwq s ALA 41 CO -0.01 0.06 0.66 1.19 0.00 0.00 0.00 175.76 177.66 2wwq n PHE 42 N 0.58 -2.19 -1.69 0.00 3.01 -0.63 -4.88 117.46 111.65 2wwq n PHE 42 Ca 0.02 -2.45 -0.44 0.00 1.01 0.00 0.00 57.45 55.59 2wwq n PHE 42 Cb 0.49 0.78 -0.04 0.00 -0.01 0.00 0.00 39.48 40.71 2wwq n PHE 42 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 2wwq n GLU 43 N 2.06 2.59 0.00 -1.08 0.28 -1.26 -1.62 120.64 121.62 2wwq n GLU 43 Ca 0.18 0.94 0.00 0.00 -0.16 0.00 0.00 57.16 58.12 2wwq n GLU 43 Cb 0.56 -2.80 0.00 0.00 1.43 0.00 0.00 31.44 30.63 2wwq n GLU 43 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2wwq n GLY 44 N 4.08 4.67 2.75 -1.84 0.00 -0.76 -4.78 105.19 109.30 2wwq n GLY 44 Ca 0.18 -0.93 -0.27 0.00 0.00 0.00 0.00 46.02 45.00 2wwq n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wwq s VAL 45 N 0.08 0.57 0.50 1.61 1.01 -0.96 -4.61 120.40 118.59 2wwq s VAL 45 Ca 0.00 -0.52 -0.22 0.00 0.00 0.00 0.00 61.98 61.24 2wwq s VAL 45 Cb 0.00 -1.02 -0.06 0.00 0.00 0.00 0.00 36.38 35.30 2wwq s VAL 45 CO 0.00 -0.14 1.27 -0.69 0.00 0.00 0.00 175.10 175.54 2wwq s VAL 46 N 1.84 2.53 0.09 2.92 1.01 -0.89 -2.65 120.40 125.26 2wwq s VAL 46 Ca -0.00 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.38 2wwq s VAL 46 Cb -0.17 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.01 2wwq s VAL 46 CO -0.08 -0.00 0.00 -0.38 0.00 0.00 0.00 175.10 174.64 2wwq n ILE 47 N -0.76 0.00 -1.46 2.22 5.41 -0.49 -3.51 119.36 120.78 2wwq n ILE 47 Ca 0.09 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.50 2wwq n ILE 47 Cb 0.46 -0.05 0.09 0.00 -0.71 0.00 0.00 39.64 39.43 2wwq n ILE 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wwq s ALA 48 N -1.59 2.14 0.04 -1.39 0.00 -0.46 -4.18 121.76 116.34 2wwq s ALA 48 Ca 0.00 0.87 -0.30 0.00 0.00 0.00 0.00 51.96 52.53 2wwq s ALA 48 Cb 0.00 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 2wwq s ALA 48 CO 0.00 -1.83 1.02 -1.50 0.00 0.00 0.00 175.76 173.45 2wwq s ILE 49 N -1.99 4.59 0.67 0.00 1.10 -1.25 -3.52 121.20 120.80 2wwq s ILE 49 Ca 0.74 1.93 -0.03 0.00 -0.51 0.00 0.00 60.65 62.78 2wwq s ILE 49 Cb -0.29 -4.24 0.07 0.00 0.15 0.00 0.00 42.46 38.16 2wwq s ILE 49 CO 0.45 0.19 0.95 0.00 -2.11 0.00 0.00 174.94 174.42 2wwq s ARG 50 N 0.72 2.10 2.07 3.50 1.70 -1.00 -2.13 118.95 125.91 2wwq s ARG 50 Ca 0.52 -0.62 0.00 0.00 -0.47 0.00 0.00 55.73 55.16 2wwq s ARG 50 Cb -0.23 -2.29 0.00 0.00 -0.57 0.00 0.00 34.95 31.86 2wwq s ARG 50 CO 0.29 -1.19 0.00 0.09 -1.08 0.00 0.00 175.30 173.41 2wwq n ASN 51 N -2.77 -2.50 -0.21 -2.89 5.03 -1.26 -4.77 115.26 105.89 2wwq n ASN 51 Ca 0.10 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.55 2wwq n ASN 51 Cb 0.60 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.36 2wwq n ASN 51 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2wwq n ARG 52 N -0.55 0.00 0.00 3.52 1.74 -1.25 -4.27 116.66 115.85 2wwq n ARG 52 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2wwq n ARG 52 Cb 0.00 -2.53 0.00 0.00 -1.02 0.00 0.00 32.46 28.91 2wwq n ARG 52 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wwq n GLY 53 N -0.71 3.01 0.03 -0.13 0.00 -1.26 -3.23 105.19 102.90 2wwq n GLY 53 Ca 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 46.02 45.70 2wwq n GLY 53 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wwq n LEU 54 N 0.00 -0.09 -4.67 0.99 7.94 -1.26 -4.34 117.00 115.57 2wwq n LEU 54 Ca 0.00 0.25 -0.42 0.00 -1.11 0.00 0.00 56.01 54.72 2wwq n LEU 54 Cb 0.00 -0.07 -0.03 0.00 0.53 0.00 0.00 43.42 43.86 2wwq n LEU 54 CO 0.00 -0.17 1.13 -1.00 -1.11 0.00 0.00 177.39 176.25 2wwq s HIS 55 N -3.95 2.72 0.13 1.96 3.76 -1.20 -4.79 115.29 113.92 2wwq s HIS 55 Ca -0.01 0.81 -0.01 0.00 -0.15 0.00 0.00 55.06 55.70 2wwq s HIS 55 Cb 0.01 -3.63 -0.04 0.00 1.11 0.00 0.00 32.58 30.03 2wwq s HIS 55 CO 0.05 -2.31 0.05 -1.12 -0.85 0.00 0.00 174.74 170.55 2wwq s SER 56 N 2.16 0.42 0.03 1.40 0.01 -1.24 -3.97 113.70 112.51 2wwq s SER 56 Ca 0.61 -1.20 -0.11 0.00 1.31 0.00 0.00 55.95 56.56 2wwq s SER 56 Cb -0.27 0.27 0.01 0.00 0.21 0.00 0.00 66.02 66.24 2wwq s SER 56 CO 0.22 -0.71 0.24 0.00 0.41 0.00 0.00 173.24 173.41 2wwq s ALA 57 N -4.00 -0.52 0.17 1.44 0.00 -0.91 -4.09 121.76 113.85 2wwq s ALA 57 Ca 0.24 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.08 2wwq s ALA 57 Cb 0.07 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.46 2wwq s ALA 57 CO 0.02 -0.37 0.00 1.19 0.00 0.00 0.00 175.76 176.60 2wwq n PHE 58 N 0.73 -2.22 -0.75 0.00 3.72 -1.23 -2.38 117.46 115.33 2wwq n PHE 58 Ca -0.19 0.45 0.09 0.00 -0.05 0.00 0.00 57.45 57.75 2wwq n PHE 58 Cb 0.59 1.25 -0.05 0.00 -0.94 0.00 0.00 39.48 40.33 2wwq n PHE 58 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2wwq n THR 59 N -2.93 -0.49 -4.67 4.37 -2.24 -1.23 -1.35 114.28 105.73 2wwq n THR 59 Ca 0.00 0.50 -0.31 0.00 -2.27 0.00 0.00 64.05 61.97 2wwq n THR 59 Cb 0.00 -0.75 -0.13 0.00 -2.10 0.00 0.00 70.33 67.36 2wwq n THR 59 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2wwq s VAL 60 N -3.67 2.86 -0.14 2.28 1.01 -1.20 -2.98 120.40 118.56 2wwq s VAL 60 Ca 0.00 -1.13 -0.05 0.00 0.00 0.00 0.00 61.98 60.80 2wwq s VAL 60 Cb 0.00 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 2wwq s VAL 60 CO 0.00 0.36 0.05 -0.13 0.00 0.00 0.00 175.10 175.37 2wwq s ARG 61 N -1.39 3.52 -0.16 2.72 1.81 -1.08 -3.89 118.95 120.48 2wwq s ARG 61 Ca 0.15 -0.35 -0.06 0.00 -1.72 0.00 0.00 55.73 53.75 2wwq s ARG 61 Cb -0.11 -3.04 -0.08 0.00 -0.45 0.00 0.00 34.95 31.28 2wwq s ARG 61 CO 0.05 0.50 -0.19 1.17 -0.68 0.00 0.00 175.30 176.15 2wwq n LYS 62 N 2.79 0.36 -3.49 3.54 3.00 -1.25 -2.28 118.16 120.84 2wwq n LYS 62 Ca -0.18 0.14 -0.19 0.00 -0.00 0.00 0.00 58.31 58.08 2wwq n LYS 62 Cb 0.53 -1.16 0.08 0.00 0.00 0.00 0.00 35.03 34.49 2wwq n LYS 62 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 2wwq n ILE 63 N -3.52 -5.30 -0.16 3.15 5.41 -1.26 -4.94 119.36 112.74 2wwq n ILE 63 Ca -0.31 -0.40 -0.08 0.00 1.00 0.00 0.00 62.75 62.96 2wwq n ILE 63 Cb 0.75 -4.70 0.01 0.00 -0.71 0.00 0.00 39.64 34.99 2wwq n ILE 63 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 2wwq h SER 64 N -2.05 0.59 -0.17 4.38 0.87 -1.76 -3.35 113.55 112.07 2wwq h SER 64 Ca -0.59 -0.08 -0.20 0.00 -1.23 0.00 0.00 61.79 59.69 2wwq h SER 64 Cb 1.35 -0.15 -0.23 0.00 -0.44 0.00 0.00 62.40 62.93 2wwq h SER 64 CO 0.52 0.50 -0.56 0.59 -0.53 0.00 0.00 176.83 177.35 2wwq n ASN 65 N -4.69 -0.53 0.00 6.23 5.03 -1.26 -4.90 115.26 115.15 2wwq n ASN 65 Ca 0.02 -2.21 0.00 0.00 0.87 0.00 0.00 54.58 53.26 2wwq n ASN 65 Cb 0.07 0.34 0.00 0.00 -1.02 0.00 0.00 39.78 39.17 2wwq n ASN 65 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wwq n GLY 66 N -1.14 0.74 3.59 7.41 0.00 -1.26 -4.98 105.19 109.56 2wwq n GLY 66 Ca -0.08 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.87 2wwq n GLY 66 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2wwq s GLU 67 N -0.59 0.41 0.00 1.61 -1.05 -1.26 -4.99 118.70 112.83 2wwq s GLU 67 Ca 0.00 0.01 0.00 0.00 -0.15 0.00 0.00 54.97 54.83 2wwq s GLU 67 Cb 0.00 0.19 0.00 0.00 -0.44 0.00 0.00 34.13 33.88 2wwq s GLU 67 CO 0.00 -0.15 0.00 0.41 0.95 0.00 0.00 175.26 176.47 2wwq n GLY 68 N 0.41 5.31 3.11 -3.83 0.00 -1.26 -1.99 105.19 106.93 2wwq n GLY 68 Ca -0.05 -1.44 -0.17 0.00 0.00 0.00 0.00 46.02 44.36 2wwq n GLY 68 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2wwq n VAL 69 N 0.00 0.00 -4.85 1.61 0.24 -1.26 -4.88 118.33 109.18 2wwq n VAL 69 Ca 0.00 -2.10 -0.26 0.00 -2.04 0.00 0.00 64.34 59.94 2wwq n VAL 69 Cb 0.00 1.12 -0.15 0.00 -1.47 0.00 0.00 33.84 33.34 2wwq n VAL 69 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2wwq s GLU 70 N -3.10 1.54 -0.16 7.34 2.02 -1.25 -3.75 118.70 121.34 2wwq s GLU 70 Ca 0.34 -0.81 -0.04 0.00 0.02 0.00 0.00 54.97 54.48 2wwq s GLU 70 Cb 0.01 -1.55 0.07 0.00 0.10 0.00 0.00 34.13 32.75 2wwq s GLU 70 CO 0.24 0.42 0.13 0.50 0.02 0.00 0.00 175.26 176.57 2wwq s ARG 71 N -0.75 0.08 0.13 1.61 3.52 -1.26 -4.80 118.95 117.48 2wwq s ARG 71 Ca 0.08 0.10 -0.30 0.00 -0.13 0.00 0.00 55.73 55.48 2wwq s ARG 71 Cb -0.08 -1.39 -0.07 0.00 -1.56 0.00 0.00 34.95 31.85 2wwq s ARG 71 CO 0.00 -0.60 1.18 0.08 -0.81 0.00 0.00 175.30 175.16 2wwq s VAL 72 N 2.21 3.83 0.11 7.11 1.01 -1.26 -3.55 120.40 129.86 2wwq s VAL 72 Ca 0.04 1.43 0.10 0.00 0.00 0.00 0.00 61.98 63.55 2wwq s VAL 72 Cb -0.15 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 2wwq s VAL 72 CO -0.09 0.18 -0.25 -0.36 0.00 0.00 0.00 175.10 174.57 2wwq s PHE 73 N 0.44 2.35 -0.08 5.22 0.08 -1.26 -4.90 117.98 119.83 2wwq s PHE 73 Ca 0.55 -0.36 0.05 0.00 0.12 0.00 0.00 56.93 57.28 2wwq s PHE 73 Cb -0.31 -1.29 -0.08 0.00 -0.57 0.00 0.00 43.02 40.78 2wwq s PHE 73 CO 0.33 0.32 -0.01 1.04 -0.10 0.00 0.00 175.22 176.80 2wwq n GLN 74 N 1.02 2.01 -3.79 0.44 1.13 -1.26 -3.16 117.38 113.77 2wwq n GLN 74 Ca -0.17 0.01 -0.25 0.00 -1.94 0.00 0.00 57.00 54.65 2wwq n GLN 74 Cb 0.53 -1.18 0.03 0.00 0.11 0.00 0.00 30.24 29.72 2wwq n GLN 74 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2wwq n THR 75 N -2.43 -3.38 -1.25 5.09 -2.24 -1.26 -3.63 114.28 105.19 2wwq n THR 75 Ca -0.13 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 2wwq n THR 75 Cb 0.72 -3.38 0.00 0.00 -2.10 0.00 0.00 70.33 65.56 2wwq n THR 75 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2wwq n HIS 76 N -4.48 0.00 -2.89 4.78 8.25 -1.26 -4.74 115.22 114.89 2wwq n HIS 76 Ca -0.15 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 56.91 2wwq n HIS 76 Cb 0.61 0.02 -0.05 0.00 1.12 0.00 0.00 29.99 31.69 2wwq n HIS 76 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2wwq s SER 77 N 0.00 7.30 0.43 0.41 0.15 -1.26 -4.96 113.70 115.78 2wwq s SER 77 Ca 0.00 1.56 0.25 0.00 0.70 0.00 0.00 55.95 58.46 2wwq s SER 77 Cb 0.00 -2.51 1.28 0.00 -1.71 0.00 0.00 66.02 63.08 2wwq s SER 77 CO 0.00 -0.03 1.72 1.55 1.20 0.00 0.00 173.24 177.68 2wwq h PRO 78 N 5.76 0.23 -0.92 5.44 0.13 -1.98 -1.36 132.00 139.29 2wwq h PRO 78 Ca -0.43 -0.01 0.08 0.00 -0.87 0.00 0.00 66.00 64.77 2wwq h PRO 78 Cb 1.21 -0.05 -0.06 0.00 0.13 0.00 0.00 31.00 32.22 2wwq h PRO 78 CO 0.72 0.15 0.59 0.28 -0.23 0.00 0.00 178.00 179.51 2wwq h VAL 79 N 0.23 1.01 -0.89 1.56 2.07 -1.92 -2.47 116.25 115.84 2wwq h VAL 79 Ca 0.67 -0.34 0.04 0.00 0.82 0.00 0.00 66.70 67.90 2wwq h VAL 79 Cb 2.01 -0.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.68 2wwq h VAL 79 CO -0.30 0.18 0.57 0.58 0.02 0.00 0.00 177.57 178.62 2wwq h VAL 80 N 0.98 1.13 0.00 2.57 2.07 -1.56 -2.87 116.25 118.57 2wwq h VAL 80 Ca 0.41 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.55 2wwq h VAL 80 Cb 0.31 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 2wwq h VAL 80 CO -0.17 0.20 0.00 0.47 0.02 0.00 0.00 177.57 178.09 2wwq n ASP 81 N -4.54 0.00 -3.79 0.57 8.00 -0.93 -4.34 116.55 111.52 2wwq n ASP 81 Ca 0.11 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.49 2wwq n ASP 81 Cb 0.10 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.08 2wwq n ASP 81 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2wwq s SER 82 N -4.00 -0.23 -0.16 -2.24 0.01 -1.26 -5.01 113.70 100.82 2wwq s SER 82 Ca 0.00 0.45 0.00 0.00 1.31 0.00 0.00 55.95 57.71 2wwq s SER 82 Cb 0.00 0.44 0.02 0.00 0.21 0.00 0.00 66.02 66.70 2wwq s SER 82 CO 0.00 -0.09 -0.14 -0.51 0.41 0.00 0.00 173.24 172.91 2wwq s ILE 83 N 0.23 1.61 0.25 1.44 2.07 -1.26 -1.98 121.20 123.56 2wwq s ILE 83 Ca -0.01 -0.69 -0.24 0.00 -1.41 0.00 0.00 60.65 58.29 2wwq s ILE 83 Cb -0.02 -1.53 -0.09 0.00 0.13 0.00 0.00 42.46 40.95 2wwq s ILE 83 CO -0.01 0.43 0.84 -0.55 -1.91 0.00 0.00 174.94 173.75 2wwq s SER 84 N 1.47 7.30 -0.00 4.50 0.15 -1.10 -4.97 113.70 121.04 2wwq s SER 84 Ca 0.04 1.68 -0.13 0.00 0.70 0.00 0.00 55.95 58.25 2wwq s SER 84 Cb -0.13 -2.52 -0.33 0.00 -1.71 0.00 0.00 66.02 61.33 2wwq s SER 84 CO -0.11 0.04 0.87 1.62 1.20 0.00 0.00 173.24 176.86 2wwq h VAL 85 N 2.85 1.14 -0.13 4.45 3.04 -1.93 -3.12 116.25 122.55 2wwq h VAL 85 Ca -0.47 -2.64 0.00 0.00 -1.01 0.00 0.00 66.70 62.58 2wwq h VAL 85 Cb 1.20 2.92 0.00 0.00 -2.01 0.00 0.00 31.29 33.40 2wwq h VAL 85 CO 0.66 0.83 0.00 0.29 -1.01 0.00 0.00 177.57 178.34 2wwq n LYS 86 N -3.65 0.00 -2.03 4.17 5.02 -1.26 -2.51 118.16 117.90 2wwq n LYS 86 Ca -0.20 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.71 2wwq n LYS 86 Cb 1.09 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 36.11 2wwq n LYS 86 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2wwq s ARG 87 N 0.00 3.67 0.22 1.97 3.52 -1.26 -4.83 118.95 122.24 2wwq s ARG 87 Ca 0.00 2.08 0.04 0.00 -0.13 0.00 0.00 55.73 57.72 2wwq s ARG 87 Cb 0.00 -2.52 -0.05 0.00 -1.56 0.00 0.00 34.95 30.82 2wwq s ARG 87 CO 0.00 -0.71 -0.03 -0.98 -0.81 0.00 0.00 175.30 172.77 2wwq s ARG 88 N -2.56 1.30 0.00 5.12 3.03 -1.26 -1.36 118.95 123.22 2wwq s ARG 88 Ca 0.63 -1.64 0.00 0.00 2.03 0.00 0.00 55.73 56.75 2wwq s ARG 88 Cb -0.36 -0.66 0.00 0.00 -1.03 0.00 0.00 34.95 32.90 2wwq s ARG 88 CO 0.45 -0.05 0.00 0.41 -1.13 0.00 0.00 175.30 174.98 2wwq n GLY 89 N -0.38 3.62 3.52 3.88 0.00 -0.87 -4.19 105.19 110.76 2wwq n GLY 89 Ca -0.06 -1.47 -0.34 0.00 0.00 0.00 0.00 46.02 44.15 2wwq n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wwq s ALA 90 N -1.75 3.00 -0.28 4.61 0.00 -0.58 -4.04 121.76 122.72 2wwq s ALA 90 Ca 0.00 -0.83 -0.23 0.00 0.00 0.00 0.00 51.96 50.90 2wwq s ALA 90 Cb 0.00 -1.48 0.10 0.00 0.00 0.00 0.00 23.12 21.74 2wwq s ALA 90 CO 0.00 0.31 0.87 0.54 0.00 0.00 0.00 175.76 177.48 2wwq s VAL 91 N 0.07 0.00 0.21 0.00 0.11 -1.26 -3.20 120.40 116.33 2wwq s VAL 91 Ca -0.01 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.09 2wwq s VAL 91 Cb -0.14 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.63 2wwq s VAL 91 CO 0.03 0.00 1.49 -0.09 -3.33 0.00 0.00 175.10 173.20 2wwq h ARG 92 N 4.96 0.19 -6.48 1.54 2.43 -1.97 -3.44 114.38 111.61 2wwq h ARG 92 Ca -0.29 -0.16 -0.53 0.00 -0.81 0.00 0.00 59.98 58.19 2wwq h ARG 92 Cb 1.18 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.73 2wwq h ARG 92 CO 0.10 0.82 -0.02 0.15 -1.51 0.00 0.00 179.97 179.51 2wwq s LYS 93 N -3.53 3.98 0.00 0.20 1.02 -1.26 -4.96 119.74 115.19 2wwq s LYS 93 Ca -0.03 0.53 0.21 0.00 0.02 0.00 0.00 55.97 56.70 2wwq s LYS 93 Cb 0.11 -2.73 0.55 0.00 -0.52 0.00 0.00 37.83 35.24 2wwq s LYS 93 CO 0.81 0.35 1.47 0.00 -0.92 0.00 0.00 175.35 177.05 2wwq n ALA 94 N 0.27 2.41 -2.22 5.17 0.00 -1.26 -4.82 120.51 120.05 2wwq n ALA 94 Ca -0.01 -1.07 -0.08 0.00 0.00 0.00 0.00 53.44 52.28 2wwq n ALA 94 Cb 0.52 -0.94 -0.10 0.00 0.00 0.00 0.00 19.45 18.93 2wwq n ALA 94 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2wwq s LYS 95 N -1.25 0.61 -0.34 0.00 -0.14 -1.26 -4.52 119.74 112.84 2wwq s LYS 95 Ca 0.42 -1.16 0.16 0.00 -1.36 0.00 0.00 55.97 54.03 2wwq s LYS 95 Cb 0.22 0.11 0.46 0.00 -1.68 0.00 0.00 37.83 36.94 2wwq s LYS 95 CO 0.30 -0.08 0.99 1.28 -0.76 0.00 0.00 175.35 177.07 2wwq n LEU 96 N 0.28 2.05 0.12 3.17 4.32 -1.26 -4.87 117.00 120.81 2wwq n LEU 96 Ca -0.15 -3.95 0.13 0.00 -0.02 0.00 0.00 56.01 52.01 2wwq n LEU 96 Cb 0.60 0.27 0.34 0.00 -1.62 0.00 0.00 43.42 43.01 2wwq n LEU 96 CO 0.27 1.66 0.81 1.88 -1.22 0.00 0.00 177.39 180.80 2wwq h TYR 97 N 2.90 0.00 0.00 -1.77 0.99 -1.97 -2.12 116.97 115.01 2wwq h TYR 97 Ca -0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.70 2wwq h TYR 97 Cb 1.14 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.87 2wwq h TYR 97 CO 0.56 0.00 0.00 2.48 -0.00 0.00 0.00 178.16 181.20 2wwq n TYR 98 N -2.38 0.00 0.43 4.88 4.11 -1.26 -2.01 117.16 120.93 2wwq n TYR 98 Ca 0.05 0.00 0.09 0.00 -0.00 0.00 0.00 57.90 58.04 2wwq n TYR 98 Cb 0.45 -0.00 -0.12 0.00 -0.00 0.00 0.00 39.34 39.67 2wwq n TYR 98 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 2wwq n LEU 99 N -0.45 0.44 0.11 -3.48 4.77 -0.80 -1.49 117.00 116.10 2wwq n LEU 99 Ca 0.00 -0.27 -0.04 0.00 -0.03 0.00 0.00 56.01 55.67 2wwq n LEU 99 Cb 0.01 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.20 2wwq n LEU 99 CO 0.00 0.11 0.42 0.03 -1.33 0.00 0.00 177.39 176.61 2wwq h ARG 100 N 0.00 0.09 0.00 3.23 3.08 -1.60 -2.68 114.38 116.51 2wwq h ARG 100 Ca 0.00 -0.08 -0.14 0.00 0.07 0.00 0.00 59.98 59.84 2wwq h ARG 100 Cb 0.60 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 2wwq h ARG 100 CO 0.00 0.75 -1.25 -1.91 -1.07 0.00 0.00 179.97 176.48 2wwq n GLU 101 N -3.75 0.53 0.08 0.04 2.13 -1.23 -4.55 120.64 113.89 2wwq n GLU 101 Ca -0.02 0.35 0.12 0.00 0.66 0.00 0.00 57.16 58.28 2wwq n GLU 101 Cb 0.68 -1.56 0.27 0.00 0.27 0.00 0.00 31.44 31.11 2wwq n GLU 101 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2wwq n ARG 102 N -4.45 0.28 0.00 5.31 1.74 -0.55 -4.99 116.66 113.99 2wwq n ARG 102 Ca -0.24 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 2wwq n ARG 102 Cb 0.56 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 2wwq n ARG 102 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2wwq n THR 103 N -2.19 0.00 -1.04 0.55 -2.24 -1.01 -4.77 114.28 103.58 2wwq n THR 103 Ca 0.04 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.49 2wwq n THR 103 Cb 0.44 0.00 0.13 0.00 -2.10 0.00 0.00 70.33 68.80 2wwq n THR 103 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2wwq s GLY 104 N -1.35 2.10 0.00 3.38 0.00 -1.26 -2.81 107.32 107.37 2wwq s GLY 104 Ca 0.00 0.82 0.00 0.00 0.00 0.00 0.00 44.72 45.54 2wwq s GLY 104 CO 0.00 1.24 0.00 1.17 0.00 0.00 0.00 173.10 175.51 2wwq n LYS 105 N -3.45 0.00 -0.16 2.90 4.81 -1.26 -4.37 118.16 116.63 2wwq n LYS 105 Ca 0.13 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.69 2wwq n LYS 105 Cb 0.51 0.00 0.19 0.00 0.02 0.00 0.00 35.03 35.75 2wwq n LYS 105 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wwq n ALA 106 N 0.00 2.42 0.06 3.14 0.00 -1.24 -3.99 120.51 120.90 2wwq n ALA 106 Ca 0.00 -0.95 -0.03 0.00 0.00 0.00 0.00 53.44 52.46 2wwq n ALA 106 Cb 0.00 -0.84 0.21 0.00 0.00 0.00 0.00 19.45 18.82 2wwq n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wwq h ALA 107 N 4.39 1.09 -3.03 0.00 0.00 -1.72 -3.45 119.26 116.55 2wwq h ALA 107 Ca 0.00 -0.39 -0.56 0.00 0.00 0.00 0.00 54.91 53.96 2wwq h ALA 107 Cb 0.97 -0.10 0.15 0.00 0.00 0.00 0.00 17.79 18.82 2wwq h ALA 107 CO 0.00 0.58 0.47 0.54 0.00 0.00 0.00 179.25 180.84 2wwq n ARG 108 N -4.06 1.25 -3.98 0.00 1.74 -1.26 -5.04 116.66 105.31 2wwq n ARG 108 Ca -0.01 0.48 -0.10 0.00 -0.77 0.00 0.00 57.85 57.45 2wwq n ARG 108 Cb 0.45 -2.48 -0.04 0.00 -1.02 0.00 0.00 32.46 29.38 2wwq n ARG 108 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2wwq s ILE 109 N -1.38 0.00 0.75 0.55 -4.36 -1.26 -5.02 121.20 110.48 2wwq s ILE 109 Ca 0.78 -1.35 -0.07 0.00 -0.26 0.00 0.00 60.65 59.75 2wwq s ILE 109 Cb -0.40 -2.35 0.09 0.00 1.25 0.00 0.00 42.46 41.06 2wwq s ILE 109 CO 0.44 0.00 1.07 -0.54 0.24 0.00 0.00 174.94 176.15 2wwq s LYS 110 N -3.61 1.86 -0.06 0.37 1.02 -1.19 -4.96 119.74 113.16 2wwq s LYS 110 Ca 0.22 -0.40 -0.05 0.00 0.02 0.00 0.00 55.97 55.77 2wwq s LYS 110 Cb -0.02 -2.14 -0.04 0.00 -0.52 0.00 0.00 37.83 35.12 2wwq s LYS 110 CO 0.11 -1.47 0.16 -2.00 -0.92 0.00 0.00 175.35 171.23 2wwq s GLU 111 N -5.34 3.43 0.16 1.68 2.56 -1.26 -1.53 118.70 118.40 2wwq s GLU 111 Ca 0.63 -0.24 -0.11 0.00 0.00 0.00 0.00 54.97 55.25 2wwq s GLU 111 Cb -0.09 -3.13 0.04 0.00 2.00 0.00 0.00 34.13 32.95 2wwq s GLU 111 CO 0.46 0.72 1.63 -0.09 -0.56 0.00 0.00 175.26 177.42 2wwq h ARG 112 N 4.33 0.94 0.00 4.30 9.65 -1.73 -3.34 114.38 128.54 2wwq h ARG 112 Ca -0.52 -0.28 0.10 0.00 -1.10 0.00 0.00 59.98 58.19 2wwq h ARG 112 Cb 1.21 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 29.66 2wwq h ARG 112 CO 0.64 0.93 -0.14 1.28 2.80 0.00 0.00 179.97 185.49 2wwq n LEU 113 N -4.30 0.00 0.00 3.80 4.77 -1.26 -4.86 117.00 115.14 2wwq n LEU 113 Ca 0.02 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 2wwq n LEU 113 Cb 0.30 -1.15 0.00 0.00 -2.33 0.00 0.00 43.42 40.25 2wwq n LEU 113 CO 0.42 -1.43 0.00 0.59 -1.33 0.00 0.00 177.39 175.64