#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nyk h PRO 47 N 0.00 0.56 0.00 -0.78 0.11 -1.99 -0.04 132.00 129.85 1nyk h PRO 47 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1nyk h PRO 47 Cb 0.00 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 30.98 1nyk h PRO 47 CO 0.00 0.37 0.00 0.39 -0.21 0.00 0.00 178.00 178.55 1nyk n GLU 48 N -4.49 0.07 -0.05 1.05 4.71 -1.26 -2.19 120.64 118.47 1nyk n GLU 48 Ca 0.12 0.25 0.03 0.00 -0.01 0.00 0.00 57.16 57.55 1nyk n GLU 48 Cb 0.37 -1.62 0.06 0.00 -1.01 0.00 0.00 31.44 29.24 1nyk n GLU 48 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1nyk n LYS 49 N -1.75 1.51 -1.78 3.49 5.02 -0.07 -0.05 118.16 124.53 1nyk n LYS 49 Ca 0.04 -1.37 -0.38 0.00 -2.02 0.00 0.00 58.31 54.57 1nyk n LYS 49 Cb 0.24 -1.13 0.04 0.00 -0.02 0.00 0.00 35.03 34.15 1nyk n LYS 49 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1nyk s GLU 50 N -0.78 3.15 0.65 1.97 2.02 -0.93 -4.68 118.70 120.10 1nyk s GLU 50 Ca 0.10 2.24 -0.16 0.00 0.02 0.00 0.00 54.97 57.17 1nyk s GLU 50 Cb 0.06 -2.26 -0.00 0.00 0.10 0.00 0.00 34.13 32.02 1nyk s GLU 50 CO 0.08 -1.19 1.17 -2.14 0.02 0.00 0.00 175.26 173.20 1nyk s PRO 51 N -2.90 2.71 0.29 0.39 0.02 -1.26 -4.86 135.00 129.38 1nyk s PRO 51 Ca 0.71 1.64 -0.28 0.00 0.02 0.00 0.00 61.00 63.10 1nyk s PRO 51 Cb -0.40 -1.92 -0.14 0.00 0.02 0.00 0.00 34.50 32.06 1nyk s PRO 51 CO 0.48 -1.37 0.92 -0.11 -0.33 0.00 0.00 177.00 176.59 1nyk n LEU 52 N -2.16 1.34 -4.25 -5.54 0.00 -1.26 -5.03 117.00 100.10 1nyk n LEU 52 Ca 0.12 1.15 -0.21 0.00 0.00 0.00 0.00 56.01 57.08 1nyk n LEU 52 Cb 0.51 -1.24 -0.12 0.00 0.00 0.00 0.00 43.42 42.57 1nyk n LEU 52 CO 0.46 -1.69 -0.48 -0.54 0.00 0.00 0.00 177.39 175.14 1nyk s LYS 53 N -1.51 1.04 0.48 1.96 -0.14 -1.26 -5.00 119.74 115.31 1nyk s LYS 53 Ca 0.60 -1.15 -0.23 0.00 -1.36 0.00 0.00 55.97 53.82 1nyk s LYS 53 Cb -0.72 -1.13 -0.08 0.00 -1.68 0.00 0.00 37.83 34.22 1nyk s LYS 53 CO 0.59 0.25 1.24 -2.30 -0.76 0.00 0.00 175.35 174.37 1nyk n PRO 54 N 0.92 1.70 0.00 -1.68 -0.02 -1.26 -1.60 135.00 133.06 1nyk n PRO 54 Ca -0.18 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1nyk n PRO 54 Cb 0.55 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1nyk n PRO 54 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nyk n GLY 55 N 0.88 1.41 3.77 -1.23 0.00 0.12 -4.98 105.19 105.16 1nyk n GLY 55 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1nyk n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nyk s ASP 56 N -2.62 6.64 0.13 1.61 1.01 -0.63 -4.53 116.67 118.29 1nyk s ASP 56 Ca 0.00 2.48 -0.29 0.00 0.71 0.00 0.00 52.55 55.45 1nyk s ASP 56 Cb 0.00 -2.63 -0.07 0.00 1.01 0.00 0.00 42.92 41.24 1nyk s ASP 56 CO 0.00 -0.60 0.90 -0.63 0.21 0.00 0.00 175.17 175.05 1nyk s ILE 57 N -1.28 4.45 -0.11 0.77 1.01 -0.36 -0.34 121.20 125.33 1nyk s ILE 57 Ca 0.53 1.95 -0.22 0.00 0.00 0.00 0.00 60.65 62.91 1nyk s ILE 57 Cb -0.34 -4.26 -0.03 0.00 0.01 0.00 0.00 42.46 37.83 1nyk s ILE 57 CO 0.44 0.38 0.66 -0.76 0.00 0.00 0.00 174.94 175.67 1nyk s LEU 58 N -0.36 4.26 0.19 2.97 1.43 -0.58 0.00 118.68 126.60 1nyk s LEU 58 Ca 0.43 1.05 0.11 0.00 -1.03 0.00 0.00 54.13 54.69 1nyk s LEU 58 Cb -0.23 -2.99 -0.04 0.00 0.03 0.00 0.00 46.19 42.95 1nyk s LEU 58 CO 0.29 -0.16 -0.21 0.68 0.23 0.00 0.00 176.35 177.17 1nyk s VAL 59 N 1.14 2.51 0.42 -1.59 -7.23 0.46 -0.58 120.40 115.52 1nyk s VAL 59 Ca 0.34 -1.97 -0.25 0.00 -1.81 0.00 0.00 61.98 58.29 1nyk s VAL 59 Cb -0.17 -2.21 -0.08 0.00 0.56 0.00 0.00 36.38 34.48 1nyk s VAL 59 CO 0.15 -0.12 1.28 -0.31 -0.31 0.00 0.00 175.10 175.79 1nyk s TYR 60 N -1.68 2.80 0.12 2.82 2.02 -0.63 -1.29 117.35 121.51 1nyk s TYR 60 Ca 0.22 1.43 -0.34 0.00 -0.37 0.00 0.00 57.07 58.00 1nyk s TYR 60 Cb -0.08 -3.63 -0.14 0.00 -0.40 0.00 0.00 41.96 37.71 1nyk s TYR 60 CO 0.11 -2.04 1.58 0.00 -1.57 0.00 0.00 175.55 173.63 1nyk n ALA 61 N -0.05 1.05 -2.73 3.71 0.00 -0.34 -4.72 120.51 117.44 1nyk n ALA 61 Ca 0.05 0.44 -0.10 0.00 0.00 0.00 0.00 53.44 53.83 1nyk n ALA 61 Cb 0.44 -2.33 -0.07 0.00 0.00 0.00 0.00 19.45 17.49 1nyk n ALA 61 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1nyk s GLN 62 N 1.19 0.85 0.00 0.00 0.74 -1.26 -5.02 119.66 116.16 1nyk s GLN 62 Ca 0.81 -0.80 0.00 0.00 0.05 0.00 0.00 55.36 55.41 1nyk s GLN 62 Cb -0.71 0.35 0.00 0.00 1.10 0.00 0.00 33.01 33.75 1nyk s GLN 62 CO 0.40 -0.28 0.00 0.41 -0.55 0.00 0.00 175.29 175.28 1nyk n GLY 63 N 0.12 0.96 3.70 2.59 0.00 -1.26 -5.06 105.19 106.23 1nyk n GLY 63 Ca -0.16 -1.38 -0.30 0.00 0.00 0.00 0.00 46.02 44.17 1nyk n GLY 63 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nyk s GLY 64 N 0.00 1.67 0.00 -0.02 0.00 -1.26 -4.98 107.32 102.73 1nyk s GLY 64 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 43.56 1nyk s GLY 64 CO 0.00 -0.25 0.00 0.61 0.00 0.00 0.00 173.10 173.46 1nyk n GLY 65 N -1.90 0.32 3.71 0.20 0.00 -1.26 -4.93 105.19 101.33 1nyk n GLY 65 Ca 0.16 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 1nyk n GLY 65 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nyk s GLU 66 N -1.31 4.13 0.67 1.61 2.56 -1.26 -4.95 118.70 120.16 1nyk s GLU 66 Ca 0.00 2.60 -0.17 0.00 0.00 0.00 0.00 54.97 57.39 1nyk s GLU 66 Cb 0.00 -3.25 0.00 0.00 2.00 0.00 0.00 34.13 32.88 1nyk s GLU 66 CO 0.00 -0.78 1.28 -2.14 -0.56 0.00 0.00 175.26 173.06 1nyk s PRO 67 N 1.71 2.42 -0.32 4.30 0.02 -1.26 -5.01 135.00 136.85 1nyk s PRO 67 Ca 0.77 2.01 -0.03 0.00 0.02 0.00 0.00 61.00 63.76 1nyk s PRO 67 Cb -0.48 -1.84 0.05 0.00 0.02 0.00 0.00 34.50 32.25 1nyk s PRO 67 CO 0.33 -1.68 0.05 0.21 -0.33 0.00 0.00 177.00 175.58 1nyk s LYS 68 N -3.50 2.45 0.49 5.54 2.20 -1.26 -5.06 119.74 120.60 1nyk s LYS 68 Ca 0.81 -1.29 -0.23 0.00 -0.36 0.00 0.00 55.97 54.90 1nyk s LYS 68 Cb -0.36 -3.30 -0.07 0.00 -1.51 0.00 0.00 37.83 32.60 1nyk s LYS 68 CO 0.41 -0.67 1.35 -2.14 -0.36 0.00 0.00 175.35 173.94 1nyk s PRO 69 N 1.29 3.48 -0.21 4.03 0.02 -1.26 -1.60 135.00 140.74 1nyk s PRO 69 Ca -0.03 2.22 -0.27 0.00 0.02 0.00 0.00 61.00 62.94 1nyk s PRO 69 Cb -0.20 -2.45 -0.00 0.00 0.02 0.00 0.00 34.50 31.87 1nyk s PRO 69 CO -0.00 -0.92 0.94 0.42 -0.33 0.00 0.00 177.00 177.11 1nyk s ILE 70 N -1.30 4.77 -0.08 2.83 1.01 0.25 -4.81 121.20 123.88 1nyk s ILE 70 Ca 0.66 1.82 -0.04 0.00 0.00 0.00 0.00 60.65 63.09 1nyk s ILE 70 Cb -0.40 -4.22 -0.04 0.00 0.01 0.00 0.00 42.46 37.82 1nyk s ILE 70 CO 0.49 -0.10 0.09 -0.13 0.00 0.00 0.00 174.94 175.29 1nyk s ARG 71 N 2.81 3.22 0.27 2.79 0.52 -1.26 -0.91 118.95 126.39 1nyk s ARG 71 Ca 0.40 -0.30 -0.02 0.00 -0.52 0.00 0.00 55.73 55.30 1nyk s ARG 71 Cb -0.16 -2.99 0.58 0.00 0.52 0.00 0.00 34.95 32.91 1nyk s ARG 71 CO 0.09 0.72 1.66 1.25 0.02 0.00 0.00 175.30 179.04 1nyk h LEU 72 N 4.78 -0.01 -0.29 2.53 5.85 -1.54 -1.33 115.31 125.30 1nyk h LEU 72 Ca -0.52 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.37 1nyk h LEU 72 Cb 1.21 0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.47 1nyk h LEU 72 CO 0.58 -0.10 0.00 -1.84 -0.34 0.00 0.00 178.44 176.75 1nyk n GLU 73 N -5.20 0.09 0.05 1.25 0.28 -1.26 -1.77 120.64 114.08 1nyk n GLU 73 Ca 0.18 0.31 0.13 0.00 -0.16 0.00 0.00 57.16 57.61 1nyk n GLU 73 Cb 0.57 -1.66 0.35 0.00 1.43 0.00 0.00 31.44 32.13 1nyk n GLU 73 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1nyk n GLU 74 N -1.83 0.16 -3.60 3.44 1.02 -0.50 -4.78 120.64 114.54 1nyk n GLU 74 Ca 0.03 0.08 -0.39 0.00 -0.02 0.00 0.00 57.16 56.86 1nyk n GLU 74 Cb 0.21 -1.64 -0.11 0.00 -0.02 0.00 0.00 31.44 29.88 1nyk n GLU 74 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1nyk s LEU 75 N -3.79 4.26 -0.04 -4.62 1.43 -0.73 -5.04 118.68 110.16 1nyk s LEU 75 Ca 0.10 -0.43 -0.28 0.00 -1.03 0.00 0.00 54.13 52.49 1nyk s LEU 75 Cb 0.15 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 1nyk s LEU 75 CO 0.64 -0.20 0.90 -0.75 0.23 0.00 0.00 176.35 177.18 1nyk s LYS 76 N 1.67 4.50 0.24 1.70 2.20 -1.26 -4.96 119.74 123.83 1nyk s LYS 76 Ca 0.05 1.26 -0.31 0.00 -0.36 0.00 0.00 55.97 56.61 1nyk s LYS 76 Cb -0.17 -3.47 -0.13 0.00 -1.51 0.00 0.00 37.83 32.55 1nyk s LYS 76 CO 0.08 -0.06 1.49 -2.30 -0.36 0.00 0.00 175.35 174.20 1nyk n PRO 77 N 4.06 2.22 -0.32 4.03 -0.02 -1.26 -1.56 135.00 142.15 1nyk n PRO 77 Ca 0.04 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 1nyk n PRO 77 Cb 0.51 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 1nyk n PRO 77 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nyk n GLY 78 N 2.45 1.45 3.85 -1.23 0.00 -0.11 -4.92 105.19 106.68 1nyk n GLY 78 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1nyk n GLY 78 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nyk s ASP 79 N -3.18 5.98 0.56 1.61 1.11 -0.60 -5.01 116.67 117.14 1nyk s ASP 79 Ca 0.00 1.49 -0.20 0.00 0.18 0.00 0.00 52.55 54.02 1nyk s ASP 79 Cb 0.00 -2.48 -0.06 0.00 1.07 0.00 0.00 42.92 41.45 1nyk s ASP 79 CO 0.00 -1.04 1.03 -2.65 1.18 0.00 0.00 175.17 173.69 1nyk n PRO 80 N -2.82 1.10 -0.96 8.23 -0.02 -1.26 -4.62 135.00 134.64 1nyk n PRO 80 Ca 0.07 0.41 -0.29 0.00 -2.02 0.00 0.00 63.50 61.67 1nyk n PRO 80 Cb 0.54 -2.21 0.18 0.00 -0.02 0.00 0.00 33.50 31.99 1nyk n PRO 80 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1nyk s PHE 81 N -1.44 1.93 0.16 6.00 -0.12 -1.26 -4.92 117.98 118.32 1nyk s PHE 81 Ca 0.73 1.26 0.09 0.00 -0.05 0.00 0.00 56.93 58.96 1nyk s PHE 81 Cb -0.44 -3.18 -0.04 0.00 -0.63 0.00 0.00 43.02 38.73 1nyk s PHE 81 CO 0.49 -2.93 -0.11 0.14 -0.05 0.00 0.00 175.22 172.75 1nyk s VAL 82 N -2.78 3.13 0.05 -2.49 -7.23 0.23 -4.93 120.40 106.39 1nyk s VAL 82 Ca 0.65 -1.58 -0.18 0.00 -1.81 0.00 0.00 61.98 59.06 1nyk s VAL 82 Cb -0.21 -2.52 -0.06 0.00 0.56 0.00 0.00 36.38 34.15 1nyk s VAL 82 CO 0.59 -0.04 0.52 -0.76 -0.31 0.00 0.00 175.10 175.10 1nyk s LEU 83 N -2.62 4.51 0.10 1.32 1.43 -1.26 -0.97 118.68 121.19 1nyk s LEU 83 Ca 0.23 1.17 -0.06 0.00 -1.03 0.00 0.00 54.13 54.44 1nyk s LEU 83 Cb -0.09 -2.81 -0.01 0.00 0.03 0.00 0.00 46.19 43.30 1nyk s LEU 83 CO 0.14 0.28 0.15 0.00 0.23 0.00 0.00 176.35 177.15 1nyk s ALA 84 N -1.06 0.07 0.12 4.21 0.00 -0.12 -1.20 121.76 123.79 1nyk s ALA 84 Ca 0.27 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.40 1nyk s ALA 84 Cb -0.19 0.55 -0.04 0.00 0.00 0.00 0.00 23.12 23.44 1nyk s ALA 84 CO 0.17 -0.50 -0.09 0.71 0.00 0.00 0.00 175.76 176.04 1nyk s TYR 85 N -3.91 1.11 0.25 0.00 2.02 -0.41 -0.49 117.35 115.92 1nyk s TYR 85 Ca 0.10 -0.75 -0.20 0.00 -0.37 0.00 0.00 57.07 55.84 1nyk s TYR 85 Cb 0.05 -0.59 -0.09 0.00 -0.40 0.00 0.00 41.96 40.93 1nyk s TYR 85 CO -0.07 0.01 0.76 -1.25 -1.57 0.00 0.00 175.55 173.43 1nyk s PRO 86 N -3.41 4.29 -0.06 -1.71 0.04 -1.26 -0.40 135.00 132.49 1nyk s PRO 86 Ca 0.12 0.94 0.04 0.00 0.04 0.00 0.00 61.00 62.14 1nyk s PRO 86 Cb 0.01 -2.83 -0.00 0.00 0.04 0.00 0.00 34.50 31.72 1nyk s PRO 86 CO -0.01 0.35 -0.19 1.41 0.04 0.00 0.00 177.00 178.60 1nyk s MET 87 N -2.07 2.14 0.15 4.56 1.75 0.10 -0.80 119.30 125.13 1nyk s MET 87 Ca 0.45 -0.70 -0.31 0.00 -1.25 0.00 0.00 55.69 53.88 1nyk s MET 87 Cb -0.16 -1.79 -0.11 0.00 2.84 0.00 0.00 34.83 35.61 1nyk s MET 87 CO 0.21 0.24 1.73 0.34 -0.65 0.00 0.00 175.02 176.89 1nyk s ASP 88 N 0.10 6.46 0.00 1.11 -1.08 -0.13 -1.22 116.67 121.91 1nyk s ASP 88 Ca -0.07 2.74 0.17 0.00 -0.52 0.00 0.00 52.55 54.87 1nyk s ASP 88 Cb -0.13 -2.58 0.74 0.00 -1.46 0.00 0.00 42.92 39.48 1nyk s ASP 88 CO 0.04 -0.95 1.54 -0.81 0.52 0.00 0.00 175.17 175.51 1nyk n PRO 89 N 4.80 0.02 -0.02 4.34 -0.04 -1.26 -1.48 135.00 141.36 1nyk n PRO 89 Ca 0.16 0.20 -0.02 0.00 -0.04 0.00 0.00 63.50 63.80 1nyk n PRO 89 Cb 0.37 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.30 1nyk n PRO 89 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1nyk n LYS 90 N -1.48 3.21 0.00 0.54 4.76 -1.26 -4.64 118.16 119.29 1nyk n LYS 90 Ca 0.04 -0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.59 1nyk n LYS 90 Cb 0.19 -1.11 -0.09 0.00 -1.84 0.00 0.00 35.03 32.18 1nyk n LYS 90 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1nyk n THR 91 N -2.18 0.04 -1.35 -0.18 -2.24 -1.23 -4.98 114.28 102.17 1nyk n THR 91 Ca -0.07 -0.18 -0.12 0.00 -2.27 0.00 0.00 64.05 61.40 1nyk n THR 91 Cb 0.64 0.53 -0.05 0.00 -2.10 0.00 0.00 70.33 69.36 1nyk n THR 91 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1nyk n LYS 92 N -1.80 -1.47 -2.20 -0.78 4.76 -0.55 -4.97 118.16 111.15 1nyk n LYS 92 Ca 0.02 0.90 -0.43 0.00 -2.87 0.00 0.00 58.31 55.93 1nyk n LYS 92 Cb 0.42 -5.21 -0.02 0.00 -1.84 0.00 0.00 35.03 28.38 1nyk n LYS 92 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1nyk s VAL 93 N -2.12 3.86 -0.21 -0.18 1.01 -1.26 -4.80 120.40 116.70 1nyk s VAL 93 Ca 0.00 1.00 -0.24 0.00 0.00 0.00 0.00 61.98 62.73 1nyk s VAL 93 Cb 0.00 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 1nyk s VAL 93 CO 0.00 -0.24 0.81 -0.69 0.00 0.00 0.00 175.10 174.98 1nyk s VAL 94 N 4.48 4.88 -0.33 2.92 1.01 -1.26 -0.95 120.40 131.14 1nyk s VAL 94 Ca 0.66 1.55 -0.04 0.00 0.00 0.00 0.00 61.98 64.15 1nyk s VAL 94 Cb -0.25 -4.10 -0.02 0.00 0.00 0.00 0.00 36.38 32.00 1nyk s VAL 94 CO 0.25 -0.01 2.99 0.29 0.00 0.00 0.00 175.10 178.62 1nyk n LYS 95 N 5.56 2.29 -0.05 2.72 5.02 0.02 -4.43 118.16 129.30 1nyk n LYS 95 Ca 0.04 -1.98 0.12 0.00 -2.02 0.00 0.00 58.31 54.47 1nyk n LYS 95 Cb 0.48 -2.10 0.46 0.00 -0.02 0.00 0.00 35.03 33.86 1nyk n LYS 95 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1nyk n SER 96 N 1.29 1.41 0.01 4.39 3.41 -1.13 -3.53 113.62 119.47 1nyk n SER 96 Ca 0.47 -1.59 0.13 0.00 -0.26 0.00 0.00 58.87 57.62 1nyk n SER 96 Cb 0.65 -0.06 0.38 0.00 -0.26 0.00 0.00 64.21 64.92 1nyk n SER 96 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nyk n GLY 97 N 1.11 -1.37 3.20 5.00 0.00 0.93 -4.54 105.19 109.52 1nyk n GLY 97 Ca 0.17 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 1nyk n GLY 97 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nyk s GLU 98 N -3.02 2.43 0.12 1.61 2.56 -1.21 -4.81 118.70 116.37 1nyk s GLU 98 Ca 0.12 -1.31 0.20 0.00 0.00 0.00 0.00 54.97 53.97 1nyk s GLU 98 Cb 0.17 -3.31 0.81 0.00 2.00 0.00 0.00 34.13 33.81 1nyk s GLU 98 CO 0.64 -0.69 1.61 0.00 -0.56 0.00 0.00 175.26 176.26 1nyk n ALA 99 N 4.67 1.73 0.42 6.30 0.00 -1.26 -0.59 120.51 131.77 1nyk n ALA 99 Ca -0.12 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.38 1nyk n ALA 99 Cb 0.43 -1.32 0.24 0.00 0.00 0.00 0.00 19.45 18.80 1nyk n ALA 99 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1nyk n LYS 100 N -1.84 0.08 -0.06 0.00 5.02 -1.26 -1.68 118.16 118.42 1nyk n LYS 100 Ca 0.03 0.25 0.12 0.00 -2.02 0.00 0.00 58.31 56.70 1nyk n LYS 100 Cb 0.22 -1.50 0.32 0.00 -0.02 0.00 0.00 35.03 34.04 1nyk n LYS 100 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1nyk n ASN 101 N -1.38 2.31 -4.73 4.39 3.02 0.24 -4.96 115.26 114.15 1nyk n ASN 101 Ca 0.04 -1.78 -0.41 0.00 -0.03 0.00 0.00 54.58 52.39 1nyk n ASN 101 Cb 0.10 -0.08 -0.03 0.00 -0.61 0.00 0.00 39.78 39.15 1nyk n ASN 101 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1nyk s THR 102 N -1.83 3.51 0.23 3.41 2.01 -0.68 -4.38 115.64 117.92 1nyk s THR 102 Ca 0.34 1.22 0.11 0.00 0.31 0.00 0.00 61.69 63.67 1nyk s THR 102 Cb 0.20 -3.78 -0.05 0.00 0.01 0.00 0.00 72.50 68.88 1nyk s THR 102 CO 0.30 0.17 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.45 1nyk s LEU 103 N 0.07 2.53 0.06 4.42 1.43 0.36 -0.97 118.68 126.58 1nyk s LEU 103 Ca 0.56 -0.97 0.09 0.00 -1.03 0.00 0.00 54.13 52.78 1nyk s LEU 103 Cb -0.34 -1.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.85 1nyk s LEU 103 CO 0.36 0.01 -0.26 -1.48 0.23 0.00 0.00 176.35 175.21 1nyk s LEU 104 N -3.17 2.21 -0.05 1.79 0.05 0.06 -0.94 118.68 118.63 1nyk s LEU 104 Ca 0.25 -0.60 0.00 0.00 0.05 0.00 0.00 54.13 53.83 1nyk s LEU 104 Cb -0.05 -1.29 0.02 0.00 -2.05 0.00 0.00 46.19 42.82 1nyk s LEU 104 CO 0.11 0.25 -0.04 -0.69 -0.55 0.00 0.00 176.35 175.44 1nyk s VAL 105 N -0.84 0.53 0.06 1.48 1.01 -0.14 -1.33 120.40 121.16 1nyk s VAL 105 Ca 0.12 -0.08 -0.05 0.00 0.00 0.00 0.00 61.98 61.98 1nyk s VAL 105 Cb -0.10 -0.58 -0.02 0.00 0.00 0.00 0.00 36.38 35.68 1nyk s VAL 105 CO 0.03 0.24 0.08 0.00 0.00 0.00 0.00 175.10 175.45 1nyk s ALA 106 N 1.21 0.09 -0.03 5.51 0.00 -0.52 -0.60 121.76 127.41 1nyk s ALA 106 Ca -0.06 -0.80 0.06 0.00 0.00 0.00 0.00 51.96 51.16 1nyk s ALA 106 Cb -0.14 0.33 -0.01 0.00 0.00 0.00 0.00 23.12 23.30 1nyk s ALA 106 CO -0.02 -0.39 -0.21 0.50 0.00 0.00 0.00 175.76 175.64 1nyk s ARG 107 N -3.44 1.85 0.29 0.00 3.52 -1.26 -0.42 118.95 119.48 1nyk s ARG 107 Ca 0.02 -0.74 0.06 0.00 -0.13 0.00 0.00 55.73 54.94 1nyk s ARG 107 Cb 0.04 -1.71 -0.06 0.00 -1.56 0.00 0.00 34.95 31.66 1nyk s ARG 107 CO -0.08 0.40 -0.03 -0.06 -0.81 0.00 0.00 175.30 174.71 1nyk s PHE 108 N -0.33 1.95 -0.01 5.12 0.08 -0.08 -0.94 117.98 123.78 1nyk s PHE 108 Ca 0.04 -0.75 -0.36 0.00 0.12 0.00 0.00 56.93 55.98 1nyk s PHE 108 Cb -0.10 -1.15 -0.15 0.00 -0.57 0.00 0.00 43.02 41.05 1nyk s PHE 108 CO 0.00 0.22 1.60 -3.47 -0.10 0.00 0.00 175.22 173.48 1nyk n ASP 109 N -0.60 2.58 0.24 1.36 -0.08 -1.26 -4.30 116.55 114.48 1nyk n ASP 109 Ca -0.05 1.07 0.15 0.00 -1.51 0.00 0.00 54.79 54.45 1nyk n ASP 109 Cb 0.64 -1.28 0.82 0.00 2.34 0.00 0.00 41.12 43.64 1nyk n ASP 109 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1nyk h PRO 110 N 6.47 0.00 -0.11 -0.67 0.11 -1.88 -1.30 132.00 134.63 1nyk h PRO 110 Ca -0.47 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.67 1nyk h PRO 110 Cb 1.30 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 1nyk h PRO 110 CO 0.88 0.00 0.13 1.49 -0.21 0.00 0.00 178.00 180.29 1nyk h GLU 111 N 0.00 0.00 -0.00 1.05 4.22 -2.01 -2.70 114.58 115.14 1nyk h GLU 111 Ca 0.05 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.49 1nyk h GLU 111 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1nyk h GLU 111 CO -0.00 0.00 -0.18 0.39 -2.18 0.00 0.00 179.01 177.04 1nyk n GLU 112 N -3.80 0.24 -3.24 1.92 1.02 -0.49 -4.90 120.64 111.39 1nyk n GLU 112 Ca -0.00 -0.08 -0.33 0.00 -0.02 0.00 0.00 57.16 56.73 1nyk n GLU 112 Cb 0.23 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.09 1nyk n GLU 112 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1nyk s LEU 113 N -2.82 4.15 0.55 -4.62 1.43 -1.02 -4.86 118.68 111.49 1nyk s LEU 113 Ca 0.18 1.17 -0.20 0.00 -1.03 0.00 0.00 54.13 54.25 1nyk s LEU 113 Cb 0.19 -3.84 -0.05 0.00 0.03 0.00 0.00 46.19 42.52 1nyk s LEU 113 CO 0.56 -0.11 1.22 0.00 0.23 0.00 0.00 176.35 178.25 1nyk s ALA 114 N -1.84 2.72 0.29 4.21 0.00 -0.86 -4.74 121.76 121.55 1nyk s ALA 114 Ca 0.49 1.05 -0.02 0.00 0.00 0.00 0.00 51.96 53.48 1nyk s ALA 114 Cb -0.12 -3.45 0.42 0.00 0.00 0.00 0.00 23.12 19.97 1nyk s ALA 114 CO 0.19 -1.06 1.96 -1.35 0.00 0.00 0.00 175.76 175.50 1nyk h PRO 115 N 1.31 1.11 0.00 0.00 0.11 -1.96 0.19 132.00 132.77 1nyk h PRO 115 Ca -0.50 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.53 1nyk h PRO 115 Cb 1.28 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1nyk h PRO 115 CO 0.57 0.74 -0.04 1.49 -0.21 0.00 0.00 178.00 180.55 1nyk h GLU 116 N 1.14 0.00 0.07 1.05 4.81 -1.98 -2.10 114.58 117.56 1nyk h GLU 116 Ca 0.31 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 59.20 1nyk h GLU 116 Cb -0.12 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 1nyk h GLU 116 CO -0.06 0.04 -1.85 0.28 -0.73 0.00 0.00 179.01 176.68 1nyk n VAL 117 N -3.27 1.67 -0.19 0.32 0.31 0.04 -4.04 118.33 113.17 1nyk n VAL 117 Ca -0.01 -0.45 0.07 0.00 -0.01 0.00 0.00 64.34 63.94 1nyk n VAL 117 Cb 0.20 -1.81 0.36 0.00 -0.91 0.00 0.00 33.84 31.67 1nyk n VAL 117 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nyk h ALA 118 N -0.16 1.72 -0.45 3.52 0.00 -0.36 -1.15 119.26 122.38 1nyk h ALA 118 Ca -0.43 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 54.59 1nyk h ALA 118 Cb 1.78 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 1nyk h ALA 118 CO -0.04 0.16 0.33 0.37 0.00 0.00 0.00 179.25 180.07 1nyk h GLN 119 N 0.75 0.00 -0.31 0.00 5.75 -1.53 -1.95 115.11 117.82 1nyk h GLN 119 Ca 0.32 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.82 1nyk h GLN 119 Cb 0.30 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.85 1nyk h GLN 119 CO -0.11 0.00 0.00 0.72 -2.65 0.00 0.00 178.83 176.79 1nyk n HIS 120 N -4.31 0.41 -2.97 3.99 8.25 -0.45 -5.00 115.22 115.14 1nyk n HIS 120 Ca 0.08 -0.48 -0.19 0.00 -0.26 0.00 0.00 57.72 56.86 1nyk n HIS 120 Cb 0.54 -0.03 0.02 0.00 1.12 0.00 0.00 29.99 31.63 1nyk n HIS 120 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1nyk s ALA 121 N -0.99 4.18 -0.19 -1.41 0.00 -0.73 -1.52 121.76 121.09 1nyk s ALA 121 Ca 0.21 -1.45 -0.03 0.00 0.00 0.00 0.00 51.96 50.69 1nyk s ALA 121 Cb 0.11 -1.84 0.06 0.00 0.00 0.00 0.00 23.12 21.45 1nyk s ALA 121 CO 0.14 -0.40 0.05 0.00 0.00 0.00 0.00 175.76 175.56 1nyk s ALA 122 N -2.47 0.84 -1.54 0.00 0.00 -0.35 -4.77 121.76 113.45 1nyk s ALA 122 Ca 0.53 -0.60 -0.13 0.00 0.00 0.00 0.00 51.96 51.76 1nyk s ALA 122 Cb -0.10 -1.15 0.09 0.00 0.00 0.00 0.00 23.12 21.96 1nyk s ALA 122 CO 0.35 -1.18 0.92 0.39 0.00 0.00 0.00 175.76 176.24 1nyk n GLU 123 N 5.11 -5.06 -0.53 0.00 -0.58 -1.26 -0.57 120.64 117.75 1nyk n GLU 123 Ca -0.08 0.56 0.00 0.00 -0.42 0.00 0.00 57.16 57.21 1nyk n GLU 123 Cb 0.48 -5.38 0.00 0.00 -0.57 0.00 0.00 31.44 25.97 1nyk n GLU 123 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1nyk n GLY 124 N -1.65 1.50 3.72 0.62 0.00 -1.26 -4.77 105.19 103.36 1nyk n GLY 124 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1nyk n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nyk s VAL 125 N -3.37 4.92 0.11 1.61 1.01 0.26 -0.90 120.40 124.04 1nyk s VAL 125 Ca 0.00 1.73 0.10 0.00 0.00 0.00 0.00 61.98 63.81 1nyk s VAL 125 Cb 0.00 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 1nyk s VAL 125 CO 0.00 0.23 -0.25 0.68 0.00 0.00 0.00 175.10 175.76 1nyk s VAL 126 N 0.76 2.10 0.06 2.92 -7.23 0.44 -1.22 120.40 118.23 1nyk s VAL 126 Ca 0.44 -1.65 0.06 0.00 -1.81 0.00 0.00 61.98 59.01 1nyk s VAL 126 Cb -0.20 -1.86 -0.03 0.00 0.56 0.00 0.00 36.38 34.86 1nyk s VAL 126 CO 0.23 0.09 -0.15 0.00 -0.31 0.00 0.00 175.10 174.95 1nyk s ALA 127 N -1.05 1.29 0.04 1.32 0.00 -1.26 -1.44 121.76 120.67 1nyk s ALA 127 Ca 0.12 -0.95 -0.03 0.00 0.00 0.00 0.00 51.96 51.10 1nyk s ALA 127 Cb -0.10 -0.18 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 1nyk s ALA 127 CO 0.05 0.23 0.03 0.71 0.00 0.00 0.00 175.76 176.78 1nyk s TYR 128 N -1.02 0.33 0.32 0.00 2.02 -0.44 -0.43 117.35 118.14 1nyk s TYR 128 Ca 0.01 -0.72 -0.29 0.00 -0.37 0.00 0.00 57.07 55.70 1nyk s TYR 128 Cb -0.09 -0.24 -0.12 0.00 -0.40 0.00 0.00 41.96 41.11 1nyk s TYR 128 CO 0.02 -0.34 1.44 0.45 -1.57 0.00 0.00 175.55 175.55 1nyk n SER 129 N 0.67 3.28 -1.29 2.29 2.88 -0.12 -0.76 113.62 120.58 1nyk n SER 129 Ca -0.18 1.18 0.11 0.00 -1.33 0.00 0.00 58.87 58.65 1nyk n SER 129 Cb 0.59 -1.53 0.30 0.00 -0.75 0.00 0.00 64.21 62.82 1nyk n SER 129 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nyk n ALA 130 N 1.13 2.49 -2.54 -1.46 0.00 -0.14 -4.62 120.51 115.36 1nyk n ALA 130 Ca 0.06 -1.22 -0.42 0.00 0.00 0.00 0.00 53.44 51.86 1nyk n ALA 130 Cb 0.36 -0.96 -0.08 0.00 0.00 0.00 0.00 19.45 18.77 1nyk n ALA 130 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1nyk s VAL 131 N -1.20 5.05 0.26 0.00 1.01 -1.26 -0.62 120.40 123.64 1nyk s VAL 131 Ca 0.46 0.11 -0.31 0.00 0.00 0.00 0.00 61.98 62.24 1nyk s VAL 131 Cb 0.25 -3.96 -0.12 0.00 0.00 0.00 0.00 36.38 32.54 1nyk s VAL 131 CO 0.30 -0.26 1.53 0.00 0.00 0.00 0.00 175.10 176.67 1nyk n THR 133 N 2.28 0.08 0.00 0.00 -2.24 -1.26 -1.77 114.28 111.37 1nyk n THR 133 Ca 0.11 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1nyk n THR 133 Cb 0.34 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.02 1nyk n THR 133 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1nyk n HIS 134 N -1.39 0.00 -1.41 4.78 -0.00 -1.26 -4.53 115.22 111.41 1nyk n HIS 134 Ca 0.10 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.87 1nyk n HIS 134 Cb 0.28 -0.01 0.07 0.00 -0.00 0.00 0.00 29.99 30.32 1nyk n HIS 134 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1nyk n LEU 135 N -0.54 1.25 0.00 0.27 4.77 -1.26 -4.81 117.00 116.68 1nyk n LEU 135 Ca 0.00 -2.03 0.00 0.00 -0.03 0.00 0.00 56.01 53.95 1nyk n LEU 135 Cb 0.00 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1nyk n LEU 135 CO 0.00 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1nyk n GLY 136 N -0.73 0.75 3.72 -0.72 0.00 -0.73 -4.98 105.19 102.50 1nyk n GLY 136 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1nyk n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nyk s ILE 138 N -1.80 3.59 -1.04 0.00 -1.09 -1.26 -0.53 121.20 119.07 1nyk s ILE 138 Ca 0.77 1.18 -0.21 0.00 -2.23 0.00 0.00 60.65 60.16 1nyk s ILE 138 Cb -0.32 -3.75 0.08 0.00 -1.58 0.00 0.00 42.46 36.89 1nyk s ILE 138 CO 0.43 0.11 1.39 -0.69 -1.23 0.00 0.00 174.94 174.96 1nyk s VAL 139 N 0.84 4.25 -0.96 2.92 1.01 0.21 -4.56 120.40 124.11 1nyk s VAL 139 Ca 0.60 -1.25 0.14 0.00 0.00 0.00 0.00 61.98 61.47 1nyk s VAL 139 Cb -0.34 -4.99 -0.08 0.00 0.00 0.00 0.00 36.38 30.98 1nyk s VAL 139 CO 0.31 -1.81 0.68 -1.54 0.00 0.00 0.00 175.10 172.74 1nyk n SER 140 N 7.95 1.05 -4.75 3.32 3.41 -1.16 -4.77 113.62 118.68 1nyk n SER 140 Ca 0.33 -1.03 -0.22 0.00 -0.26 0.00 0.00 58.87 57.69 1nyk n SER 140 Cb 0.49 0.75 -0.06 0.00 -0.26 0.00 0.00 64.21 65.13 1nyk n SER 140 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1nyk s GLN 141 N -2.02 2.63 -0.03 4.33 -0.21 -0.48 -4.98 119.66 118.91 1nyk s GLN 141 Ca 0.08 -1.25 0.02 0.00 0.02 0.00 0.00 55.36 54.24 1nyk s GLN 141 Cb 0.11 -2.38 -0.03 0.00 1.00 0.00 0.00 33.01 31.71 1nyk s GLN 141 CO 0.46 0.34 -0.06 -0.46 -2.12 0.00 0.00 175.29 173.45 1nyk s TRP 142 N -2.24 2.92 -0.39 0.91 -0.11 -1.26 -0.28 118.94 118.49 1nyk s TRP 142 Ca 0.33 -0.00 -0.01 0.00 1.22 0.00 0.00 56.10 57.64 1nyk s TRP 142 Cb -0.07 -1.65 0.10 0.00 -1.50 0.00 0.00 33.47 30.35 1nyk s TRP 142 CO 0.23 0.36 0.15 0.08 -4.62 0.00 0.00 176.95 173.16 1nyk s VAL 143 N -0.93 3.04 0.20 5.86 1.01 0.11 -4.86 120.40 124.83 1nyk s VAL 143 Ca 0.15 -2.07 -0.10 0.00 0.00 0.00 0.00 61.98 59.96 1nyk s VAL 143 Cb -0.11 -3.09 0.13 0.00 0.00 0.00 0.00 36.38 33.31 1nyk s VAL 143 CO 0.05 -0.63 1.81 0.00 0.00 0.00 0.00 175.10 176.33 1nyk h ALA 144 N 7.95 0.84 0.00 5.51 0.00 -1.97 0.10 119.26 131.69 1nyk h ALA 144 Ca -0.12 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1nyk h ALA 144 Cb 1.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1nyk h ALA 144 CO 0.65 0.05 0.00 -0.40 0.00 0.00 0.00 179.25 179.55 1nyk n ASP 145 N -4.78 0.54 -0.11 0.00 5.75 -1.26 -2.81 116.55 113.87 1nyk n ASP 145 Ca 0.07 0.56 0.04 0.00 -0.01 0.00 0.00 54.79 55.45 1nyk n ASP 145 Cb 0.15 -0.70 -0.02 0.00 -1.03 0.00 0.00 41.12 39.51 1nyk n ASP 145 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1nyk n GLU 146 N -2.01 3.08 -3.70 0.11 -0.58 -1.08 -5.00 120.64 111.45 1nyk n GLU 146 Ca 0.06 -0.31 -0.25 0.00 -0.42 0.00 0.00 57.16 56.24 1nyk n GLU 146 Cb 0.38 -0.98 0.03 0.00 -0.57 0.00 0.00 31.44 30.29 1nyk n GLU 146 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1nyk n GLU 147 N -0.70 -3.27 -4.24 3.49 1.02 0.30 -4.81 120.64 112.43 1nyk n GLU 147 Ca 0.03 0.55 -0.14 0.00 -0.02 0.00 0.00 57.16 57.58 1nyk n GLU 147 Cb 0.16 -4.80 -0.10 0.00 -0.02 0.00 0.00 31.44 26.68 1nyk n GLU 147 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nyk s ALA 148 N -3.64 1.43 -0.15 0.62 0.00 -0.91 -3.47 121.76 115.64 1nyk s ALA 148 Ca 0.18 -1.48 -0.12 0.00 0.00 0.00 0.00 51.96 50.54 1nyk s ALA 148 Cb -0.06 0.05 -0.05 0.00 0.00 0.00 0.00 23.12 23.07 1nyk s ALA 148 CO 0.83 -0.10 0.25 0.00 0.00 0.00 0.00 175.76 176.74 1nyk s ALA 149 N -3.33 3.66 -0.11 0.00 0.00 -0.36 -0.71 121.76 120.91 1nyk s ALA 149 Ca 0.16 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.63 1nyk s ALA 149 Cb 0.03 -2.29 -0.02 0.00 0.00 0.00 0.00 23.12 20.84 1nyk s ALA 149 CO 0.00 0.21 -0.15 -1.17 0.00 0.00 0.00 175.76 174.65 1nyk s LEU 150 N 0.11 2.64 -0.24 0.00 2.96 0.61 -0.67 118.68 124.09 1nyk s LEU 150 Ca 0.15 -0.33 -0.18 0.00 -0.22 0.00 0.00 54.13 53.55 1nyk s LEU 150 Cb -0.13 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 1nyk s LEU 150 CO 0.04 0.20 0.52 0.00 -1.32 0.00 0.00 176.35 175.79 1nyk n PRO 152 N 5.30 0.04 0.14 0.00 -0.04 -1.26 -1.69 135.00 137.50 1nyk n PRO 152 Ca -0.04 0.17 -0.10 0.00 -0.04 0.00 0.00 63.50 63.49 1nyk n PRO 152 Cb 0.50 -1.57 -0.06 0.00 -0.04 0.00 0.00 33.50 32.33 1nyk n PRO 152 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nyk n HIS 154 N -5.07 0.00 -0.72 0.00 8.25 -1.25 -5.02 115.22 111.40 1nyk n HIS 154 Ca -0.08 -0.31 0.00 0.00 -0.26 0.00 0.00 57.72 57.07 1nyk n HIS 154 Cb 0.25 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.28 1nyk n HIS 154 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nyk n GLY 155 N -0.44 0.57 3.75 -1.41 0.00 -0.68 -4.47 105.19 102.51 1nyk n GLY 155 Ca 0.05 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 1nyk n GLY 155 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nyk s GLY 156 N -2.60 2.15 -0.06 -0.02 0.00 -1.24 -3.81 107.32 101.74 1nyk s GLY 156 Ca 0.00 1.59 0.02 0.00 0.00 0.00 0.00 44.72 46.33 1nyk s GLY 156 CO 0.00 2.55 -0.10 0.14 0.00 0.00 0.00 173.10 175.70 1nyk s VAL 157 N -0.07 0.95 -0.16 1.40 1.01 -0.34 -0.22 120.40 122.97 1nyk s VAL 157 Ca 0.63 -0.36 -0.00 0.00 0.00 0.00 0.00 61.98 62.24 1nyk s VAL 157 Cb -0.48 -0.90 -0.00 0.00 0.00 0.00 0.00 36.38 35.00 1nyk s VAL 157 CO 0.49 0.32 -0.14 -0.31 0.00 0.00 0.00 175.10 175.46 1nyk s TYR 158 N 0.79 2.81 -0.74 5.22 2.02 0.16 -0.56 117.35 127.05 1nyk s TYR 158 Ca -0.13 -1.01 -0.23 0.00 -0.37 0.00 0.00 57.07 55.33 1nyk s TYR 158 Cb -0.15 -1.91 0.07 0.00 -0.40 0.00 0.00 41.96 39.56 1nyk s TYR 158 CO 0.02 -0.47 1.10 0.34 -1.57 0.00 0.00 175.55 174.97 1nyk s ASP 159 N 0.86 6.24 0.34 2.29 -1.08 0.32 -1.22 116.67 124.42 1nyk s ASP 159 Ca -0.04 -1.00 0.07 0.00 -0.52 0.00 0.00 52.55 51.06 1nyk s ASP 159 Cb -0.15 -2.46 0.61 0.00 -1.46 0.00 0.00 42.92 39.45 1nyk s ASP 159 CO -0.01 -1.51 1.81 -0.07 0.52 0.00 0.00 175.17 175.92 1nyk h LEU 160 N 11.79 0.28 -1.48 -1.34 3.38 -1.87 0.13 115.31 126.20 1nyk h LEU 160 Ca -0.20 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 1nyk h LEU 160 Cb 1.06 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1nyk h LEU 160 CO 1.22 0.53 -0.25 0.03 0.09 0.00 0.00 178.44 180.06 1nyk h ARG 161 N 0.26 0.00 -1.64 1.13 3.08 -1.91 -3.23 114.38 112.07 1nyk h ARG 161 Ca 0.04 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.46 1nyk h ARG 161 Cb 0.57 0.00 -0.38 0.00 0.08 0.00 0.00 29.97 30.24 1nyk h ARG 161 CO 0.04 0.25 -0.27 0.72 -1.07 0.00 0.00 179.97 179.64 1nyk n HIS 162 N -3.79 3.31 -2.06 3.04 8.25 -0.74 -2.02 115.22 121.20 1nyk n HIS 162 Ca -0.01 -2.91 -0.11 0.00 -0.26 0.00 0.00 57.72 54.42 1nyk n HIS 162 Cb 0.35 -0.37 -0.01 0.00 1.12 0.00 0.00 29.99 31.08 1nyk n HIS 162 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nyk n GLY 163 N -0.50 0.14 3.07 -1.41 0.00 -1.16 -2.28 105.19 103.05 1nyk n GLY 163 Ca 0.43 -0.43 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1nyk n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nyk n ALA 164 N -1.06 -0.98 -1.64 4.61 0.00 0.39 -4.82 120.51 117.02 1nyk n ALA 164 Ca -0.13 0.21 -0.46 0.00 0.00 0.00 0.00 53.44 53.06 1nyk n ALA 164 Cb 0.56 -3.34 -0.03 0.00 0.00 0.00 0.00 19.45 16.65 1nyk n ALA 164 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1nyk n GLN 165 N -3.83 1.72 -2.48 0.00 7.27 -0.96 -4.16 117.38 114.94 1nyk n GLN 165 Ca -0.09 0.61 -0.43 0.00 0.07 0.00 0.00 57.00 57.16 1nyk n GLN 165 Cb 0.60 -2.18 -0.02 0.00 2.41 0.00 0.00 30.24 31.05 1nyk n GLN 165 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1nyk s VAL 166 N -0.34 4.34 -0.75 1.69 1.01 -1.26 -0.52 120.40 124.56 1nyk s VAL 166 Ca 0.67 1.60 0.08 0.00 0.00 0.00 0.00 61.98 64.32 1nyk s VAL 166 Cb -0.70 -4.11 0.01 0.00 0.00 0.00 0.00 36.38 31.58 1nyk s VAL 166 CO 0.53 -0.23 0.58 2.30 0.00 0.00 0.00 175.10 178.28 1nyk n ILE 167 N 5.55 0.00 -3.47 2.22 -5.35 0.27 -4.98 119.36 113.60 1nyk n ILE 167 Ca 0.14 -0.43 -0.14 0.00 -0.27 0.00 0.00 62.75 62.04 1nyk n ILE 167 Cb 0.45 1.10 -0.04 0.00 -1.74 0.00 0.00 39.64 39.42 1nyk n ILE 167 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1nyk s ALA 168 N -1.07 -1.64 0.00 -1.28 0.00 -1.22 -4.95 121.76 111.60 1nyk s ALA 168 Ca 0.07 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.85 1nyk s ALA 168 Cb 0.06 0.50 0.00 0.00 0.00 0.00 0.00 23.12 23.68 1nyk s ALA 168 CO 0.18 -0.59 0.00 0.41 0.00 0.00 0.00 175.76 175.76 1nyk n GLY 169 N 0.19 -2.22 0.12 0.00 0.00 -1.25 -1.20 105.19 100.83 1nyk n GLY 169 Ca -0.18 -1.51 0.14 0.00 0.00 0.00 0.00 46.02 44.48 1nyk n GLY 169 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1nyk n PRO 170 N -0.79 0.76 -1.65 1.61 -0.04 -1.26 -4.87 135.00 128.76 1nyk n PRO 170 Ca 0.00 -0.24 -0.50 0.00 -0.04 0.00 0.00 63.50 62.72 1nyk n PRO 170 Cb 0.01 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 31.92 1nyk n PRO 170 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1nyk n PRO 171 N -0.91 1.67 0.00 0.54 -0.02 -1.26 -4.80 135.00 130.22 1nyk n PRO 171 Ca 0.15 0.61 0.14 0.00 -2.02 0.00 0.00 63.50 62.38 1nyk n PRO 171 Cb 0.27 -2.33 0.65 0.00 -0.02 0.00 0.00 33.50 32.06 1nyk n PRO 171 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1nyk n PRO 172 N 3.76 0.39 -3.45 0.52 -0.04 -1.26 -4.89 135.00 130.02 1nyk n PRO 172 Ca 0.19 -0.07 -0.13 0.00 -0.04 0.00 0.00 63.50 63.45 1nyk n PRO 172 Cb 0.23 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.17 1nyk n PRO 172 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1nyk s ARG 173 N -2.66 1.18 0.59 0.54 1.70 -1.26 -5.10 118.95 113.95 1nyk s ARG 173 Ca 0.24 -0.27 -0.18 0.00 -0.47 0.00 0.00 55.73 55.05 1nyk s ARG 173 Cb 0.20 0.55 -0.03 0.00 -0.57 0.00 0.00 34.95 35.09 1nyk s ARG 173 CO 0.50 -0.48 1.17 -1.25 -1.08 0.00 0.00 175.30 174.16 1nyk s PRO 174 N -3.03 3.03 0.39 3.89 0.04 -1.26 -4.71 135.00 133.35 1nyk s PRO 174 Ca -0.02 1.71 -0.27 0.00 0.04 0.00 0.00 61.00 62.45 1nyk s PRO 174 Cb -0.01 -1.95 -0.10 0.00 0.04 0.00 0.00 34.50 32.48 1nyk s PRO 174 CO -0.07 -1.13 1.48 0.14 0.04 0.00 0.00 177.00 177.46 1nyk s VAL 175 N -1.75 2.04 0.36 -0.36 -7.23 -1.26 -4.94 120.40 107.25 1nyk s VAL 175 Ca 0.75 0.04 -0.26 0.00 -1.81 0.00 0.00 61.98 60.69 1nyk s VAL 175 Cb -0.27 -3.02 -0.09 0.00 0.56 0.00 0.00 36.38 33.56 1nyk s VAL 175 CO 0.33 0.01 1.15 -2.16 -0.31 0.00 0.00 175.10 174.11 1nyk s PRO 176 N -2.17 4.25 0.39 4.82 0.04 -1.26 -4.76 135.00 136.30 1nyk s PRO 176 Ca 0.54 1.82 -0.24 0.00 0.04 0.00 0.00 61.00 63.17 1nyk s PRO 176 Cb -0.46 -2.83 -0.10 0.00 0.04 0.00 0.00 34.50 31.15 1nyk s PRO 176 CO 0.62 -0.14 0.98 -1.14 0.04 0.00 0.00 177.00 177.36 1nyk s GLN 177 N -2.05 4.31 -0.30 4.56 0.74 -1.26 -0.94 119.66 124.71 1nyk s GLN 177 Ca 0.53 1.33 -0.07 0.00 0.05 0.00 0.00 55.36 57.20 1nyk s GLN 177 Cb -0.31 -2.50 0.01 0.00 1.10 0.00 0.00 33.01 31.31 1nyk s GLN 177 CO 0.39 0.02 0.08 -1.17 -0.55 0.00 0.00 175.29 174.06 1nyk s LEU 178 N -2.64 3.91 0.41 3.68 2.96 0.43 -0.90 118.68 126.54 1nyk s LEU 178 Ca 0.57 -0.77 -0.26 0.00 -0.22 0.00 0.00 54.13 53.45 1nyk s LEU 178 Cb -0.17 -1.88 -0.09 0.00 0.50 0.00 0.00 46.19 44.55 1nyk s LEU 178 CO 0.22 -0.21 1.38 -2.84 -1.32 0.00 0.00 176.35 173.58 1nyk s PRO 179 N 1.49 3.92 0.12 0.98 0.02 -1.26 -4.02 135.00 136.24 1nyk s PRO 179 Ca 0.02 2.34 0.06 0.00 0.02 0.00 0.00 61.00 63.43 1nyk s PRO 179 Cb -0.17 -2.78 -0.04 0.00 0.02 0.00 0.00 34.50 31.53 1nyk s PRO 179 CO 0.02 -0.60 -0.13 0.14 -0.33 0.00 0.00 177.00 176.10 1nyk s VAL 180 N -1.20 1.27 0.11 3.83 -7.23 -0.58 -0.31 120.40 116.29 1nyk s VAL 180 Ca 0.57 -1.74 -0.01 0.00 -1.81 0.00 0.00 61.98 58.99 1nyk s VAL 180 Cb -0.42 -1.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.94 1nyk s VAL 180 CO 0.55 -0.46 0.04 0.00 -0.31 0.00 0.00 175.10 174.91 1nyk s ARG 181 N -2.78 0.85 -0.15 4.82 1.70 -0.30 -4.15 118.95 118.93 1nyk s ARG 181 Ca 0.09 -1.38 -0.03 0.00 -0.47 0.00 0.00 55.73 53.94 1nyk s ARG 181 Cb -0.04 0.24 -0.02 0.00 -0.57 0.00 0.00 34.95 34.55 1nyk s ARG 181 CO 0.03 -0.23 -0.06 0.08 -1.08 0.00 0.00 175.30 174.04 1nyk s VAL 182 N -4.02 3.67 -0.17 4.99 1.01 -1.26 -0.91 120.40 123.70 1nyk s VAL 182 Ca 0.20 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.73 1nyk s VAL 182 Cb 0.08 -2.60 0.05 0.00 0.00 0.00 0.00 36.38 33.91 1nyk s VAL 182 CO -0.01 0.50 -0.03 -0.70 0.00 0.00 0.00 175.10 174.86 1nyk s GLU 183 N 0.42 1.23 -1.47 2.72 2.12 0.03 -4.74 118.70 119.02 1nyk s GLU 183 Ca -0.05 -0.52 -0.08 0.00 0.36 0.00 0.00 54.97 54.69 1nyk s GLU 183 Cb -0.15 -2.03 0.03 0.00 0.26 0.00 0.00 34.13 32.24 1nyk s GLU 183 CO 0.03 -0.49 0.76 -0.25 -0.54 0.00 0.00 175.26 174.78 1nyk n ASP 184 N 4.90 -5.60 0.00 -1.70 10.43 -1.26 -1.55 116.55 121.77 1nyk n ASP 184 Ca -0.11 -0.43 0.00 0.00 2.57 0.00 0.00 54.79 56.82 1nyk n ASP 184 Cb 0.47 -4.50 0.00 0.00 1.84 0.00 0.00 41.12 38.93 1nyk n ASP 184 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1nyk n GLY 185 N -1.59 1.70 3.81 0.44 0.00 -1.26 -5.03 105.19 103.25 1nyk n GLY 185 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 1nyk n GLY 185 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nyk s VAL 186 N -3.36 5.14 0.04 1.61 1.01 -0.60 -1.31 120.40 122.94 1nyk s VAL 186 Ca 0.00 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 1nyk s VAL 186 Cb 0.00 -3.23 -0.05 0.00 0.00 0.00 0.00 36.38 33.10 1nyk s VAL 186 CO 0.00 0.60 1.16 -0.76 0.00 0.00 0.00 175.10 176.10 1nyk s LEU 187 N -0.89 4.37 0.03 3.92 2.01 -0.09 -0.79 118.68 127.24 1nyk s LEU 187 Ca 0.14 1.94 0.05 0.00 0.01 0.00 0.00 54.13 56.27 1nyk s LEU 187 Cb -0.12 -3.58 -0.02 0.00 0.01 0.00 0.00 46.19 42.49 1nyk s LEU 187 CO 0.03 -0.43 -0.15 -0.69 1.01 0.00 0.00 176.35 176.12 1nyk s VAL 188 N 1.10 1.20 0.05 -1.59 1.01 -0.09 -1.53 120.40 120.54 1nyk s VAL 188 Ca 0.57 -0.93 -0.31 0.00 0.00 0.00 0.00 61.98 61.31 1nyk s VAL 188 Cb -0.28 -1.06 -0.07 0.00 0.00 0.00 0.00 36.38 34.97 1nyk s VAL 188 CO 0.29 0.11 1.55 0.00 0.00 0.00 0.00 175.10 177.05 1nyk s ALA 189 N -0.72 3.65 -2.67 5.51 0.00 0.53 -1.15 121.76 126.91 1nyk s ALA 189 Ca 0.03 1.08 0.22 0.00 0.00 0.00 0.00 51.96 53.30 1nyk s ALA 189 Cb -0.07 -3.65 0.23 0.00 0.00 0.00 0.00 23.12 19.62 1nyk s ALA 189 CO 0.01 -1.01 1.24 0.00 0.00 0.00 0.00 175.76 176.00 1nyk n ALA 190 N 5.44 2.45 -3.94 0.00 0.00 0.57 0.13 120.51 125.17 1nyk n ALA 190 Ca 0.15 -0.75 0.03 0.00 0.00 0.00 0.00 53.44 52.87 1nyk n ALA 190 Cb 0.42 -0.77 0.01 0.00 0.00 0.00 0.00 19.45 19.11 1nyk n ALA 190 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1nyk s GLY 191 N -1.75 -0.21 0.78 0.00 0.00 -1.25 -4.90 107.32 99.99 1nyk s GLY 191 Ca 0.28 0.20 -0.11 0.00 0.00 0.00 0.00 44.72 45.09 1nyk s GLY 191 CO 0.28 5.10 1.09 -0.54 0.00 0.00 0.00 173.10 179.03 1nyk s GLU 192 N -2.05 2.23 0.47 2.90 0.41 -1.26 -4.41 118.70 116.99 1nyk s GLU 192 Ca 0.28 0.69 -0.22 0.00 -0.41 0.00 0.00 54.97 55.30 1nyk s GLU 192 Cb 0.01 -1.93 -0.09 0.00 -1.78 0.00 0.00 34.13 30.33 1nyk s GLU 192 CO -0.02 -1.53 0.94 1.19 -0.49 0.00 0.00 175.26 175.35 1nyk n PHE 193 N -3.38 0.89 1.35 1.61 3.72 -1.26 -4.43 117.46 115.95 1nyk n PHE 193 Ca 0.07 0.52 0.14 0.00 -0.05 0.00 0.00 57.45 58.14 1nyk n PHE 193 Cb 0.56 -2.18 0.73 0.00 -0.94 0.00 0.00 39.48 37.65 1nyk n PHE 193 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1nyk n LEU 194 N 0.29 0.00 0.00 4.37 4.77 -0.07 -4.87 117.00 121.48 1nyk n LEU 194 Ca 0.10 0.30 -0.05 0.00 -0.03 0.00 0.00 56.01 56.33 1nyk n LEU 194 Cb 0.41 -0.30 0.02 0.00 -2.33 0.00 0.00 43.42 41.22 1nyk n LEU 194 CO 0.55 -0.01 0.51 0.61 -1.33 0.00 0.00 177.39 177.72 1nyk n GLY 195 N 1.22 1.02 3.76 -0.72 0.00 -1.26 -4.96 105.19 104.26 1nyk n GLY 195 Ca 0.13 -1.17 -0.39 0.00 0.00 0.00 0.00 46.02 44.60 1nyk n GLY 195 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1nyk s PRO 196 N -2.06 3.68 -0.02 1.61 0.02 -1.26 -4.80 135.00 132.17 1nyk s PRO 196 Ca 0.15 2.17 -0.11 0.00 0.02 0.00 0.00 61.00 63.22 1nyk s PRO 196 Cb -0.03 -2.56 -0.05 0.00 0.02 0.00 0.00 34.50 31.87 1nyk s PRO 196 CO 0.08 -0.74 0.32 0.08 -0.33 0.00 0.00 177.00 176.41 1nyk s VAL 197 N -1.30 5.20 0.00 3.83 1.01 -1.26 -4.56 120.40 123.31 1nyk s VAL 197 Ca 0.62 0.55 0.00 0.00 0.00 0.00 0.00 61.98 63.15 1nyk s VAL 197 Cb -0.38 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.39 1nyk s VAL 197 CO 0.48 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.72 1nyk n GLY 198 N 1.66 -0.36 3.62 4.51 0.00 -1.26 -4.74 105.19 108.62 1nyk n GLY 198 Ca -0.14 -1.07 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 1nyk n GLY 198 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nyk s VAL 199 N 0.00 4.36 0.27 1.61 1.01 -1.26 -4.51 120.40 121.89 1nyk s VAL 199 Ca 0.00 1.50 0.07 0.00 0.00 0.00 0.00 61.98 63.55 1nyk s VAL 199 Cb 0.00 -4.49 -0.03 0.00 0.00 0.00 0.00 36.38 31.86 1nyk s VAL 199 CO 0.00 -0.71 0.26 -1.10 0.00 0.00 0.00 175.10 173.55 1nyk s GLN 200 N 4.02 2.98 0.00 2.72 -1.52 -1.26 -5.10 119.66 121.50 1nyk s GLN 200 Ca 0.47 -1.05 0.00 0.00 -1.95 0.00 0.00 55.36 52.83 1nyk s GLN 200 Cb -0.10 -2.61 0.00 0.00 -0.22 0.00 0.00 33.01 30.08 1nyk s GLN 200 CO 0.23 0.32 0.00 0.00 -0.25 0.00 0.00 175.29 175.59