#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h5k s HIS 58 N 0.00 -1.49 -1.89 0.54 3.76 -1.26 -5.04 115.29 109.91 2h5k s HIS 58 Ca 0.00 1.46 0.05 0.00 -0.15 0.00 0.00 55.06 56.42 2h5k s HIS 58 Cb 0.00 0.43 0.31 0.00 1.11 0.00 0.00 32.58 34.42 2h5k s HIS 58 CO 0.00 -0.88 0.83 -0.35 -0.85 0.00 0.00 174.74 173.49 2h5k n PRO 59 N 5.42 0.15 0.00 8.40 -0.04 -1.26 -2.61 135.00 145.06 2h5k n PRO 59 Ca -0.01 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 2h5k n PRO 59 Cb 0.51 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 2h5k n PRO 59 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2h5k n TRP 60 N -1.06 0.00 -3.44 0.54 4.27 -1.26 -4.90 117.44 111.59 2h5k n TRP 60 Ca 0.04 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.22 2h5k n TRP 60 Cb 0.02 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 29.95 2h5k n TRP 60 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 2h5k s PHE 61 N -0.62 4.05 -0.01 -2.67 5.36 -1.07 -0.05 117.98 122.96 2h5k s PHE 61 Ca 0.00 -2.67 0.00 0.00 -0.96 0.00 0.00 56.93 53.30 2h5k s PHE 61 Cb 0.00 -3.65 0.01 0.00 -0.34 0.00 0.00 43.02 39.05 2h5k s PHE 61 CO 0.00 -0.90 1.03 1.19 -1.46 0.00 0.00 175.22 175.09 2h5k n PHE 62 N 2.85 0.05 0.00 10.12 0.99 -1.18 -4.91 117.46 125.38 2h5k n PHE 62 Ca 0.21 -0.53 0.00 0.00 -0.00 0.00 0.00 57.45 57.13 2h5k n PHE 62 Cb 0.40 -0.27 0.00 0.00 -1.00 0.00 0.00 39.48 38.61 2h5k n PHE 62 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2h5k n GLY 63 N 0.49 1.15 3.60 1.37 0.00 -1.25 -4.24 105.19 106.30 2h5k n GLY 63 Ca 0.01 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 2h5k n GLY 63 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2h5k s LYS 64 N 0.00 3.55 0.06 1.61 2.20 -1.26 -0.90 119.74 125.00 2h5k s LYS 64 Ca 0.00 0.82 -0.10 0.00 -0.36 0.00 0.00 55.97 56.33 2h5k s LYS 64 Cb 0.00 -4.03 0.00 0.00 -1.51 0.00 0.00 37.83 32.30 2h5k s LYS 64 CO 0.00 -1.60 0.21 0.96 -0.36 0.00 0.00 175.35 174.56 2h5k s ILE 65 N 5.41 0.12 0.32 5.43 -4.36 -1.26 -4.90 121.20 121.95 2h5k s ILE 65 Ca 0.58 -0.96 -0.29 0.00 -0.26 0.00 0.00 60.65 59.73 2h5k s ILE 65 Cb -0.12 -1.07 -0.10 0.00 1.25 0.00 0.00 42.46 42.42 2h5k s ILE 65 CO 0.32 -0.53 1.24 -2.84 0.24 0.00 0.00 174.94 173.37 2h5k s PRO 66 N -3.04 4.44 0.27 0.37 0.02 -1.26 -4.63 135.00 131.18 2h5k s PRO 66 Ca -0.01 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.10 2h5k s PRO 66 Cb 0.01 -3.11 0.60 0.00 0.02 0.00 0.00 34.50 32.02 2h5k s PRO 66 CO -0.06 -0.06 1.73 -0.09 -0.33 0.00 0.00 177.00 178.19 2h5k h ARG 67 N 3.51 0.50 0.66 5.54 2.43 -1.99 -0.22 114.38 124.81 2h5k h ARG 67 Ca -0.48 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 58.63 2h5k h ARG 67 Cb 1.22 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.66 2h5k h ARG 67 CO 0.66 0.33 -0.38 0.00 -1.51 0.00 0.00 179.97 179.07 2h5k h ALA 68 N 1.62 -1.00 -0.70 2.80 0.00 -1.98 0.62 119.26 120.61 2h5k h ALA 68 Ca 0.49 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 55.34 2h5k h ALA 68 Cb 0.81 0.46 -0.13 0.00 0.00 0.00 0.00 17.79 18.93 2h5k h ALA 68 CO -0.43 -1.07 -0.25 -0.22 0.00 0.00 0.00 179.25 177.28 2h5k h LYS 69 N -0.98 -0.05 0.44 0.00 1.63 -1.47 0.41 116.57 116.54 2h5k h LYS 69 Ca -0.08 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.70 2h5k h LYS 69 Cb 0.78 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.41 2h5k h LYS 69 CO 0.10 -0.04 -0.36 0.00 -3.45 0.00 0.00 179.45 175.70 2h5k h ALA 70 N 1.47 -1.09 -1.00 5.00 0.00 -0.93 0.21 119.26 122.92 2h5k h ALA 70 Ca 0.31 -0.15 0.38 0.00 0.00 0.00 0.00 54.91 55.45 2h5k h ALA 70 Cb 0.55 0.56 -0.17 0.00 0.00 0.00 0.00 17.79 18.72 2h5k h ALA 70 CO -0.75 -1.09 0.47 0.93 0.00 0.00 0.00 179.25 178.81 2h5k h GLU 71 N -0.78 0.06 0.54 0.00 5.08 0.68 0.23 114.58 120.39 2h5k h GLU 71 Ca -0.06 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2h5k h GLU 71 Cb 0.66 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.90 2h5k h GLU 71 CO -0.00 0.04 -0.26 1.49 -1.00 0.00 0.00 179.01 179.28 2h5k h GLU 72 N 0.06 -0.70 -0.30 2.33 4.81 0.78 -2.73 114.58 118.84 2h5k h GLU 72 Ca 0.79 0.05 0.07 0.00 -0.13 0.00 0.00 59.36 60.13 2h5k h GLU 72 Cb 1.98 0.16 -0.08 0.00 0.63 0.00 0.00 28.75 31.44 2h5k h GLU 72 CO -0.76 -0.46 -0.29 1.98 -0.73 0.00 0.00 179.01 178.75 2h5k h MET 73 N -0.84 -0.26 -0.59 1.92 4.05 0.24 -2.82 114.93 116.63 2h5k h MET 73 Ca -0.07 0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.39 2h5k h MET 73 Cb 0.55 0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 31.37 2h5k h MET 73 CO 0.12 -0.17 0.36 -0.07 0.23 0.00 0.00 176.91 177.38 2h5k h LEU 74 N -0.27 0.59 -0.08 3.39 3.38 -0.94 -1.63 115.31 119.75 2h5k h LEU 74 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2h5k h LEU 74 Cb 0.51 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2h5k h LEU 74 CO -0.45 0.42 0.19 -1.54 0.09 0.00 0.00 178.44 177.14 2h5k n SER 75 N -4.74 0.03 -0.10 -0.43 3.41 -1.03 -1.52 113.62 109.25 2h5k n SER 75 Ca 0.05 0.34 -0.16 0.00 -0.26 0.00 0.00 58.87 58.84 2h5k n SER 75 Cb 0.08 -0.34 -0.08 0.00 -0.26 0.00 0.00 64.21 63.61 2h5k n SER 75 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2h5k n LYS 76 N -1.39 0.53 -1.31 4.33 4.76 -0.61 -4.95 118.16 119.52 2h5k n LYS 76 Ca -0.00 0.51 -0.46 0.00 -2.87 0.00 0.00 58.31 55.50 2h5k n LYS 76 Cb 0.19 -1.69 -0.03 0.00 -1.84 0.00 0.00 35.03 31.66 2h5k n LYS 76 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2h5k n GLN 77 N -4.48 0.00 -0.90 1.97 1.13 -0.57 -4.84 117.38 109.69 2h5k n GLN 77 Ca -0.25 0.00 -0.18 0.00 -1.94 0.00 0.00 57.00 54.62 2h5k n GLN 77 Cb 0.56 -0.97 0.10 0.00 0.11 0.00 0.00 30.24 30.03 2h5k n GLN 77 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 2h5k n ARG 78 N 0.97 1.93 -3.78 -1.09 1.85 -1.26 -4.92 116.66 110.36 2h5k n ARG 78 Ca 0.17 -2.08 -0.13 0.00 -1.00 0.00 0.00 57.85 54.81 2h5k n ARG 78 Cb 0.22 -1.82 -0.10 0.00 -1.05 0.00 0.00 32.46 29.71 2h5k n ARG 78 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 2h5k s HIS 79 N -2.33 -0.23 0.26 2.89 3.76 -1.26 -5.13 115.29 113.24 2h5k s HIS 79 Ca 0.40 0.51 -0.30 0.00 -0.15 0.00 0.00 55.06 55.53 2h5k s HIS 79 Cb 0.33 0.09 -0.09 0.00 1.11 0.00 0.00 32.58 34.02 2h5k s HIS 79 CO 0.05 -0.25 1.09 -0.51 -0.85 0.00 0.00 174.74 174.27 2h5k s ASP 80 N -0.51 7.29 0.00 1.40 1.01 -1.26 -2.94 116.67 121.66 2h5k s ASP 80 Ca -0.06 2.22 0.00 0.00 0.71 0.00 0.00 52.55 55.41 2h5k s ASP 80 Cb -0.04 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.27 2h5k s ASP 80 CO 0.02 -0.14 0.00 0.61 0.21 0.00 0.00 175.17 175.86 2h5k n GLY 81 N 1.40 0.43 3.67 0.21 0.00 0.13 -5.01 105.19 106.01 2h5k n GLY 81 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2h5k n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h5k s ALA 82 N -2.00 3.62 0.31 4.61 0.00 -1.15 -4.77 121.76 122.38 2h5k s ALA 82 Ca 0.00 0.94 0.06 0.00 0.00 0.00 0.00 51.96 52.96 2h5k s ALA 82 Cb 0.00 -3.72 -0.02 0.00 0.00 0.00 0.00 23.12 19.38 2h5k s ALA 82 CO 0.00 -1.30 0.21 1.97 0.00 0.00 0.00 175.76 176.64 2h5k n PHE 83 N 6.74 -0.45 -3.58 0.00 -1.74 -1.26 0.66 117.46 117.83 2h5k n PHE 83 Ca 0.16 -2.39 -0.07 0.00 -0.56 0.00 0.00 57.45 54.59 2h5k n PHE 83 Cb 0.43 0.17 -0.04 0.00 1.52 0.00 0.00 39.48 41.56 2h5k n PHE 83 CO 0.00 0.00 0.00 -0.48 -0.56 0.00 0.00 176.76 175.72 2h5k s LEU 84 N 0.00 -0.26 -0.27 5.98 0.05 -0.52 -4.93 118.68 118.74 2h5k s LEU 84 Ca 0.30 0.20 -0.01 0.00 0.05 0.00 0.00 54.13 54.67 2h5k s LEU 84 Cb 0.01 1.64 0.04 0.00 -2.05 0.00 0.00 46.19 45.83 2h5k s LEU 84 CO 0.21 -0.29 -0.04 -0.63 -0.55 0.00 0.00 176.35 175.05 2h5k s ILE 85 N -1.57 2.86 0.45 1.48 -1.09 0.92 -1.79 121.20 122.46 2h5k s ILE 85 Ca 0.03 -1.23 0.07 0.00 -2.23 0.00 0.00 60.65 57.29 2h5k s ILE 85 Cb -0.01 -2.55 -0.01 0.00 -1.58 0.00 0.00 42.46 38.31 2h5k s ILE 85 CO -0.03 0.05 0.33 0.00 -1.23 0.00 0.00 174.94 174.06 2h5k s ARG 86 N 1.28 2.36 -0.20 2.79 1.70 -0.97 -3.08 118.95 122.83 2h5k s ARG 86 Ca -0.03 -1.77 -0.17 0.00 -0.47 0.00 0.00 55.73 53.30 2h5k s ARG 86 Cb -0.18 -2.18 -0.04 0.00 -0.57 0.00 0.00 34.95 31.98 2h5k s ARG 86 CO -0.03 -0.29 0.45 -2.00 -1.08 0.00 0.00 175.30 172.35 2h5k s GLU 87 N -4.11 4.19 0.31 3.89 2.12 -0.08 -1.63 118.70 123.39 2h5k s GLU 87 Ca 0.42 0.30 -0.27 0.00 0.36 0.00 0.00 54.97 55.78 2h5k s GLU 87 Cb -0.01 -3.54 -0.14 0.00 0.26 0.00 0.00 34.13 30.71 2h5k s GLU 87 CO 0.24 -0.07 0.99 0.45 -0.54 0.00 0.00 175.26 176.34 2h5k n SER 88 N 4.54 1.23 -0.08 -1.70 2.88 -1.02 -4.23 113.62 115.24 2h5k n SER 88 Ca -0.07 1.15 -0.12 0.00 -1.33 0.00 0.00 58.87 58.50 2h5k n SER 88 Cb 0.51 -1.29 -0.08 0.00 -0.75 0.00 0.00 64.21 62.60 2h5k n SER 88 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2h5k h GLU 89 N 1.90 0.00 0.00 -1.46 5.08 -1.90 -3.41 114.58 114.79 2h5k h GLU 89 Ca -0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2h5k h GLU 89 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 2h5k h GLU 89 CO 0.60 0.63 0.00 0.45 -1.00 0.00 0.00 179.01 179.68 2h5k n SER 90 N -4.58 0.00 -4.49 1.42 2.88 -1.26 -4.38 113.62 103.21 2h5k n SER 90 Ca -0.15 0.11 -0.42 0.00 -1.33 0.00 0.00 58.87 57.08 2h5k n SER 90 Cb 0.42 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.84 2h5k n SER 90 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2h5k s ALA 91 N -2.26 2.99 1.14 -1.46 0.00 -1.26 -5.02 121.76 115.89 2h5k s ALA 91 Ca 0.00 -1.62 -0.18 0.00 0.00 0.00 0.00 51.96 50.16 2h5k s ALA 91 Cb 0.00 -3.99 0.16 0.00 0.00 0.00 0.00 23.12 19.29 2h5k s ALA 91 CO 0.00 -2.92 0.21 -2.30 0.00 0.00 0.00 175.76 170.75 2h5k n PRO 92 N 8.27 -2.02 0.00 0.00 -0.02 -1.26 -3.43 135.00 136.54 2h5k n PRO 92 Ca -0.01 -0.58 0.00 0.00 -2.02 0.00 0.00 63.50 60.89 2h5k n PRO 92 Cb 0.47 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 2h5k n PRO 92 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2h5k n GLY 93 N 1.94 0.93 3.75 -1.23 0.00 -1.26 -4.90 105.19 104.42 2h5k n GLY 93 Ca 0.02 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2h5k n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2h5k s ASP 94 N 0.00 7.07 0.24 1.61 1.01 -1.22 -4.91 116.67 120.46 2h5k s ASP 94 Ca 0.00 2.35 -0.04 0.00 0.71 0.00 0.00 52.55 55.58 2h5k s ASP 94 Cb 0.00 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 2h5k s ASP 94 CO 0.00 -0.34 0.47 -0.36 0.21 0.00 0.00 175.17 175.16 2h5k s PHE 95 N -0.64 3.48 0.14 4.23 0.40 -1.26 -2.45 117.98 121.88 2h5k s PHE 95 Ca 0.50 0.53 0.10 0.00 -0.60 0.00 0.00 56.93 57.45 2h5k s PHE 95 Cb -0.34 -2.01 -0.04 0.00 0.51 0.00 0.00 43.02 41.14 2h5k s PHE 95 CO 0.41 0.28 -0.23 0.45 0.70 0.00 0.00 175.22 176.83 2h5k s SER 96 N -3.05 3.00 -0.28 1.36 0.15 -0.65 -1.01 113.70 113.23 2h5k s SER 96 Ca 0.42 -0.76 -0.05 0.00 0.70 0.00 0.00 55.95 56.26 2h5k s SER 96 Cb -0.11 -0.19 0.02 0.00 -1.71 0.00 0.00 66.02 64.03 2h5k s SER 96 CO 0.29 0.10 0.03 -0.22 1.20 0.00 0.00 173.24 174.64 2h5k s LEU 97 N -2.19 3.62 -0.17 3.45 2.96 0.23 -2.29 118.68 124.30 2h5k s LEU 97 Ca 0.13 -0.79 -0.08 0.00 -0.22 0.00 0.00 54.13 53.17 2h5k s LEU 97 Cb -0.09 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 2h5k s LEU 97 CO 0.06 -0.17 0.09 -0.44 -1.32 0.00 0.00 176.35 174.57 2h5k s SER 98 N 1.43 5.91 -0.05 3.68 0.01 -0.74 -0.40 113.70 123.54 2h5k s SER 98 Ca 0.01 0.20 -0.06 0.00 1.31 0.00 0.00 55.95 57.41 2h5k s SER 98 Cb -0.17 -1.98 0.01 0.00 0.21 0.00 0.00 66.02 64.09 2h5k s SER 98 CO -0.00 0.23 0.16 -0.69 0.41 0.00 0.00 173.24 173.35 2h5k s VAL 99 N 0.04 0.01 0.06 3.43 1.01 0.69 -1.43 120.40 124.19 2h5k s VAL 99 Ca 0.07 -0.07 -0.20 0.00 0.00 0.00 0.00 61.98 61.79 2h5k s VAL 99 Cb -0.12 -0.25 -0.06 0.00 0.00 0.00 0.00 36.38 35.95 2h5k s VAL 99 CO 0.00 -0.04 0.57 -0.75 0.00 0.00 0.00 175.10 174.89 2h5k s LYS 100 N -0.06 4.23 -0.29 2.72 2.20 0.21 -0.05 119.74 128.69 2h5k s LYS 100 Ca -0.01 0.73 0.03 0.00 -0.36 0.00 0.00 55.97 56.36 2h5k s LYS 100 Cb -0.02 -3.26 0.18 0.00 -1.51 0.00 0.00 37.83 33.22 2h5k s LYS 100 CO 0.00 0.58 0.48 0.12 -0.36 0.00 0.00 175.35 176.18 2h5k s PHE 101 N -0.90 -1.35 0.00 4.03 5.36 -0.81 -0.69 117.98 123.62 2h5k s PHE 101 Ca 0.29 0.71 0.00 0.00 -0.96 0.00 0.00 56.93 56.97 2h5k s PHE 101 Cb -0.19 0.07 0.00 0.00 -0.34 0.00 0.00 43.02 42.56 2h5k s PHE 101 CO 0.19 -1.00 0.00 0.41 -1.46 0.00 0.00 175.22 173.35 2h5k n GLY 102 N 5.38 0.99 0.74 13.12 0.00 -1.26 -3.23 105.19 120.94 2h5k n GLY 102 Ca 0.02 -0.78 0.03 0.00 0.00 0.00 0.00 46.02 45.30 2h5k n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2h5k n ASN 103 N 3.60 2.04 -3.92 1.61 3.02 -1.26 -4.88 115.26 115.47 2h5k n ASN 103 Ca 0.00 -2.17 -0.25 0.00 -0.03 0.00 0.00 54.58 52.13 2h5k n ASN 103 Cb 0.00 -0.38 -0.08 0.00 -0.61 0.00 0.00 39.78 38.71 2h5k n ASN 103 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2h5k s ASP 104 N -0.61 2.72 -0.24 6.41 1.01 -1.20 -5.14 116.67 119.62 2h5k s ASP 104 Ca 0.18 -1.74 -0.03 0.00 0.71 0.00 0.00 52.55 51.67 2h5k s ASP 104 Cb 0.12 0.60 0.10 0.00 1.01 0.00 0.00 42.92 44.74 2h5k s ASP 104 CO 0.08 -1.00 0.19 -0.69 0.21 0.00 0.00 175.17 173.96 2h5k s VAL 105 N -3.21 -0.23 0.48 -1.27 1.01 -1.26 -1.92 120.40 114.00 2h5k s VAL 105 Ca 0.25 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 2h5k s VAL 105 Cb 0.02 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 2h5k s VAL 105 CO 0.17 -0.44 0.75 -1.10 0.00 0.00 0.00 175.10 174.48 2h5k s GLN 106 N 2.23 3.30 0.13 2.72 -0.21 0.92 -4.79 119.66 123.96 2h5k s GLN 106 Ca 0.07 -0.06 0.08 0.00 0.02 0.00 0.00 55.36 55.47 2h5k s GLN 106 Cb -0.15 -2.43 -0.04 0.00 1.00 0.00 0.00 33.01 31.39 2h5k s GLN 106 CO -0.24 -0.28 -0.18 -1.01 -2.12 0.00 0.00 175.29 171.46 2h5k s HIS 107 N -2.70 1.69 -0.02 0.91 3.76 -1.25 -0.22 115.29 117.45 2h5k s HIS 107 Ca 0.48 -0.46 -0.00 0.00 -0.15 0.00 0.00 55.06 54.93 2h5k s HIS 107 Cb -0.10 -0.89 0.03 0.00 1.11 0.00 0.00 32.58 32.73 2h5k s HIS 107 CO 0.42 0.23 0.03 -0.06 -0.85 0.00 0.00 174.74 174.51 2h5k s PHE 108 N -1.65 0.02 0.11 1.40 0.40 0.47 -4.91 117.98 113.81 2h5k s PHE 108 Ca 0.09 0.14 -0.30 0.00 -0.60 0.00 0.00 56.93 56.26 2h5k s PHE 108 Cb -0.08 -0.23 -0.07 0.00 0.51 0.00 0.00 43.02 43.16 2h5k s PHE 108 CO 0.05 -0.09 1.19 0.21 0.70 0.00 0.00 175.22 177.28 2h5k s LYS 109 N 1.05 4.46 -0.80 0.44 2.20 -1.26 0.78 119.74 126.62 2h5k s LYS 109 Ca -0.09 1.80 -0.20 0.00 -0.36 0.00 0.00 55.97 57.12 2h5k s LYS 109 Cb -0.13 -3.31 0.11 0.00 -1.51 0.00 0.00 37.83 32.99 2h5k s LYS 109 CO -0.03 -0.18 1.02 0.08 -0.36 0.00 0.00 175.35 175.88 2h5k s VAL 110 N 0.62 4.61 0.63 4.02 1.01 -0.18 -4.77 120.40 126.35 2h5k s VAL 110 Ca 0.56 -1.10 -0.15 0.00 0.00 0.00 0.00 61.98 61.29 2h5k s VAL 110 Cb -0.30 -4.71 -0.02 0.00 0.00 0.00 0.00 36.38 31.35 2h5k s VAL 110 CO 0.32 -1.44 1.09 -0.76 0.00 0.00 0.00 175.10 174.30 2h5k s LEU 111 N 3.13 3.44 0.00 3.92 1.43 -0.92 -4.46 118.68 125.22 2h5k s LEU 111 Ca 0.26 1.92 0.00 0.00 -1.03 0.00 0.00 54.13 55.29 2h5k s LEU 111 Cb -0.11 -4.54 -0.00 0.00 0.03 0.00 0.00 46.19 41.56 2h5k s LEU 111 CO -0.01 -1.42 -0.02 -0.13 0.23 0.00 0.00 176.35 175.01 2h5k s ARG 112 N -4.07 0.13 0.04 1.70 0.52 -1.26 -2.22 118.95 113.79 2h5k s ARG 112 Ca 0.66 -0.10 0.01 0.00 -0.52 0.00 0.00 55.73 55.77 2h5k s ARG 112 Cb -0.19 -0.10 0.01 0.00 0.52 0.00 0.00 34.95 35.19 2h5k s ARG 112 CO 0.39 0.03 0.05 -0.40 0.02 0.00 0.00 175.30 175.39 2h5k n ASP 113 N 2.93 0.39 -0.03 0.23 3.85 -1.10 -4.92 116.55 117.90 2h5k n ASP 113 Ca -0.13 -1.12 -0.10 0.00 -0.71 0.00 0.00 54.79 52.73 2h5k n ASP 113 Cb 0.59 -0.02 -0.03 0.00 -1.35 0.00 0.00 41.12 40.30 2h5k n ASP 113 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 2h5k h GLY 114 N 0.02 -0.39 1.69 6.12 0.00 -2.02 -0.47 103.07 108.01 2h5k h GLY 114 Ca -0.02 0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.70 2h5k h GLY 114 CO 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 176.54 176.36 2h5k n ALA 115 N -2.87 1.44 -0.04 3.60 0.00 -1.26 -4.84 120.51 116.54 2h5k n ALA 115 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2h5k n ALA 115 Cb 0.33 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.67 2h5k n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2h5k n GLY 116 N -0.75 1.47 3.74 0.00 0.00 -0.19 -5.03 105.19 104.43 2h5k n GLY 116 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 2h5k n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h5k s LYS 117 N -0.49 2.53 0.22 1.61 1.02 -1.26 -4.67 119.74 118.69 2h5k s LYS 117 Ca 0.00 1.80 0.01 0.00 0.02 0.00 0.00 55.97 57.80 2h5k s LYS 117 Cb 0.00 -1.88 -0.04 0.00 -0.52 0.00 0.00 37.83 35.40 2h5k s LYS 117 CO 0.00 -1.54 0.38 0.71 -0.92 0.00 0.00 175.35 173.98 2h5k s TYR 118 N -1.80 3.48 0.00 3.18 2.02 -1.26 -2.69 117.35 120.28 2h5k s TYR 118 Ca 0.76 0.21 0.00 0.00 -0.37 0.00 0.00 57.07 57.67 2h5k s TYR 118 Cb -0.30 -1.75 0.00 0.00 -0.40 0.00 0.00 41.96 39.51 2h5k s TYR 118 CO 0.40 0.39 0.00 1.97 -1.57 0.00 0.00 175.55 176.74 2h5k n PHE 119 N -0.96 0.00 -0.05 2.71 -1.74 -0.94 -5.00 117.46 111.48 2h5k n PHE 119 Ca -0.06 0.00 -0.06 0.00 -0.56 0.00 0.00 57.45 56.76 2h5k n PHE 119 Cb 0.55 0.00 -0.14 0.00 1.52 0.00 0.00 39.48 41.41 2h5k n PHE 119 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 2h5k n LEU 120 N 0.00 0.40 0.00 5.98 4.77 -1.26 -2.17 117.00 124.72 2h5k n LEU 120 Ca 0.00 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 2h5k n LEU 120 Cb 0.00 0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 2h5k n LEU 120 CO 0.00 0.37 0.00 -2.67 -1.33 0.00 0.00 177.39 173.76 2h5k n TRP 121 N -2.82 0.00 -4.22 -1.77 4.27 -1.26 -4.87 117.44 106.76 2h5k n TRP 121 Ca -0.22 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.26 2h5k n TRP 121 Cb 1.03 0.00 -0.10 0.00 -1.36 0.00 0.00 31.31 30.88 2h5k n TRP 121 CO 0.00 0.00 0.00 0.14 -2.29 0.00 0.00 177.69 175.54 2h5k s VAL 122 N -2.00 0.06 -0.31 -1.67 -7.23 -1.26 -5.14 120.40 102.85 2h5k s VAL 122 Ca 0.00 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.09 2h5k s VAL 122 Cb 0.00 -2.51 0.01 0.00 0.56 0.00 0.00 36.38 34.43 2h5k s VAL 122 CO 0.00 0.00 0.12 -0.69 -0.31 0.00 0.00 175.10 174.22 2h5k s VAL 123 N -4.06 4.23 0.41 1.32 1.01 -1.26 -5.08 120.40 116.97 2h5k s VAL 123 Ca 0.39 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 61.81 2h5k s VAL 123 Cb 0.07 -3.19 -0.07 0.00 0.00 0.00 0.00 36.38 33.18 2h5k s VAL 123 CO 0.13 0.04 0.02 -0.54 0.00 0.00 0.00 175.10 174.75 2h5k s LYS 124 N 1.54 1.94 0.05 2.72 -0.14 -1.26 -5.16 119.74 119.43 2h5k s LYS 124 Ca 0.03 -2.10 0.05 0.00 -1.36 0.00 0.00 55.97 52.59 2h5k s LYS 124 Cb -0.17 -1.55 -0.02 0.00 -1.68 0.00 0.00 37.83 34.41 2h5k s LYS 124 CO 0.04 -0.08 -0.14 -0.06 -0.76 0.00 0.00 175.35 174.35 2h5k s PHE 125 N -2.78 1.18 -0.17 3.18 0.08 -1.26 -5.03 117.98 113.17 2h5k s PHE 125 Ca 0.34 -0.40 0.17 0.00 0.12 0.00 0.00 56.93 57.16 2h5k s PHE 125 Cb 0.09 -0.68 0.01 0.00 -0.57 0.00 0.00 43.02 41.87 2h5k s PHE 125 CO 0.17 0.04 1.20 -0.91 -0.10 0.00 0.00 175.22 175.62 2h5k h ASN 126 N 4.66 0.00 -5.12 1.36 2.35 -2.01 -3.47 115.58 113.34 2h5k h ASN 126 Ca -0.39 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.22 2h5k h ASN 126 Cb 1.19 0.00 -0.18 0.00 0.05 0.00 0.00 38.32 39.38 2h5k h ASN 126 CO 0.42 0.45 -0.65 -0.94 -1.65 0.00 0.00 177.43 175.06 2h5k s SER 127 N -6.10 0.33 0.17 5.81 1.04 -1.26 -5.01 113.70 108.69 2h5k s SER 127 Ca 0.01 -0.73 -0.15 0.00 0.48 0.00 0.00 55.95 55.57 2h5k s SER 127 Cb 0.08 0.18 0.13 0.00 0.10 0.00 0.00 66.02 66.51 2h5k s SER 127 CO 0.77 -0.48 1.72 -0.07 0.98 0.00 0.00 173.24 176.16 2h5k h LEU 128 N 3.75 -0.00 -0.16 2.42 3.38 -1.99 -0.47 115.31 122.24 2h5k h LEU 128 Ca -0.33 0.07 0.05 0.00 0.09 0.00 0.00 57.88 57.76 2h5k h LEU 128 Cb 1.17 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.96 2h5k h LEU 128 CO 0.54 0.03 -0.31 -1.13 0.09 0.00 0.00 178.44 177.66 2h5k h ASN 129 N 0.21 -0.98 -0.89 -0.43 -0.73 -1.99 0.38 115.58 111.17 2h5k h ASN 129 Ca 0.21 0.15 0.15 0.00 1.87 0.00 0.00 56.30 58.67 2h5k h ASN 129 Cb 0.26 0.42 -0.07 0.00 0.27 0.00 0.00 38.32 39.20 2h5k h ASN 129 CO -0.28 -0.35 0.57 -0.33 -0.37 0.00 0.00 177.43 176.68 2h5k h GLU 130 N -0.37 0.65 0.05 6.67 5.08 -1.71 -0.30 114.58 124.65 2h5k h GLU 130 Ca 0.10 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2h5k h GLU 130 Cb 0.53 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2h5k h GLU 130 CO -0.37 0.43 -0.03 1.25 -1.00 0.00 0.00 179.01 179.30 2h5k h LEU 131 N 0.67 -0.06 0.31 1.33 6.46 0.76 -2.56 115.31 122.22 2h5k h LEU 131 Ca 0.45 -0.24 -0.01 0.00 -0.12 0.00 0.00 57.88 57.96 2h5k h LEU 131 Cb 0.75 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.67 2h5k h LEU 131 CO -0.20 0.21 -0.37 0.58 -0.62 0.00 0.00 178.44 178.04 2h5k h VAL 132 N -0.33 0.00 -0.60 1.05 2.07 0.96 -1.65 116.25 117.74 2h5k h VAL 132 Ca -0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.57 2h5k h VAL 132 Cb 0.30 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.98 2h5k h VAL 132 CO 0.01 0.00 -0.49 0.44 0.02 0.00 0.00 177.57 177.56 2h5k h ASP 133 N -0.69 -1.71 -0.98 0.57 5.19 -1.18 0.40 116.42 118.02 2h5k h ASP 133 Ca -0.04 0.24 0.24 0.00 -0.62 0.00 0.00 57.03 56.85 2h5k h ASP 133 Cb 0.61 0.73 -0.18 0.00 0.18 0.00 0.00 39.33 40.67 2h5k h ASP 133 CO -0.08 -0.27 -0.08 0.22 -3.12 0.00 0.00 179.24 175.92 2h5k h TYR 134 N -0.16 -0.23 -0.02 4.55 3.20 -1.31 0.29 116.97 123.29 2h5k h TYR 134 Ca 0.10 0.08 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 2h5k h TYR 134 Cb 0.42 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 2h5k h TYR 134 CO -0.87 -0.42 0.01 0.72 -1.64 0.00 0.00 178.16 175.96 2h5k n HIS 135 N -5.54 0.06 0.23 -3.82 8.25 0.14 -2.62 115.22 111.92 2h5k n HIS 135 Ca 0.20 -0.45 0.08 0.00 -0.26 0.00 0.00 57.72 57.29 2h5k n HIS 135 Cb 0.65 -0.24 -0.11 0.00 1.12 0.00 0.00 29.99 31.40 2h5k n HIS 135 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2h5k n ARG 136 N 0.40 0.95 0.00 -0.41 1.74 0.10 0.09 116.66 119.53 2h5k n ARG 136 Ca 0.01 -0.10 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 2h5k n ARG 136 Cb 0.49 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.60 2h5k n ARG 136 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2h5k n SER 137 N -1.83 1.12 -3.73 0.55 3.41 -1.08 -4.42 113.62 107.64 2h5k n SER 137 Ca -0.01 -1.48 -0.14 0.00 -0.26 0.00 0.00 58.87 56.98 2h5k n SER 137 Cb 0.36 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.17 2h5k n SER 137 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2h5k s THR 138 N -0.48 -0.10 0.50 6.66 2.01 -1.13 -5.10 115.64 118.00 2h5k s THR 138 Ca 0.00 0.20 -0.21 0.00 0.31 0.00 0.00 61.69 61.99 2h5k s THR 138 Cb 0.00 -0.30 -0.09 0.00 0.01 0.00 0.00 72.50 72.13 2h5k s THR 138 CO 0.00 0.08 0.88 -0.24 -0.69 0.00 0.00 174.62 174.65 2h5k n SER 139 N 4.45 0.57 0.01 3.53 2.88 -1.25 -4.29 113.62 119.51 2h5k n SER 139 Ca -0.22 0.91 -0.04 0.00 -1.33 0.00 0.00 58.87 58.19 2h5k n SER 139 Cb 0.52 -1.32 -0.11 0.00 -0.75 0.00 0.00 64.21 62.55 2h5k n SER 139 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2h5k n VAL 140 N -1.09 1.36 -3.42 2.46 0.24 -0.37 -4.85 118.33 112.66 2h5k n VAL 140 Ca 0.11 -0.73 -0.30 0.00 -2.04 0.00 0.00 64.34 61.37 2h5k n VAL 140 Cb 0.43 -0.86 -0.04 0.00 -1.47 0.00 0.00 33.84 31.90 2h5k n VAL 140 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2h5k s SER 141 N -5.90 6.52 0.03 -1.34 0.15 -1.26 -4.97 113.70 106.93 2h5k s SER 141 Ca -0.04 0.76 0.23 0.00 0.70 0.00 0.00 55.95 57.61 2h5k s SER 141 Cb 0.08 -2.16 0.17 0.00 -1.71 0.00 0.00 66.02 62.40 2h5k s SER 141 CO 0.82 -0.11 1.15 -1.14 1.20 0.00 0.00 173.24 175.15 2h5k n ARG 142 N -0.49 0.17 -0.44 5.44 0.63 -1.26 -4.16 116.66 116.55 2h5k n ARG 142 Ca -0.01 0.01 0.06 0.00 -0.92 0.00 0.00 57.85 56.99 2h5k n ARG 142 Cb 0.53 -1.56 0.11 0.00 0.45 0.00 0.00 32.46 31.98 2h5k n ARG 142 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2h5k n ASN 143 N -1.78 1.50 -3.59 6.15 4.13 -1.26 -5.04 115.26 115.36 2h5k n ASN 143 Ca 0.03 -2.87 -0.15 0.00 1.68 0.00 0.00 54.58 53.28 2h5k n ASN 143 Cb 0.39 -0.38 -0.07 0.00 -1.54 0.00 0.00 39.78 38.19 2h5k n ASN 143 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 2h5k s GLN 144 N -1.93 0.87 -0.70 3.52 -0.21 -1.26 -5.08 119.66 114.87 2h5k s GLN 144 Ca 0.26 0.71 -0.27 0.00 0.02 0.00 0.00 55.36 56.08 2h5k s GLN 144 Cb 0.24 0.42 0.03 0.00 1.00 0.00 0.00 33.01 34.70 2h5k s GLN 144 CO -0.02 -0.17 1.24 -0.65 -2.12 0.00 0.00 175.29 173.57 2h5k s GLN 145 N -0.17 3.24 -0.18 2.91 -1.52 -1.26 -4.17 119.66 118.51 2h5k s GLN 145 Ca -0.03 -0.20 0.00 0.00 -1.95 0.00 0.00 55.36 53.18 2h5k s GLN 145 Cb -0.03 -4.15 0.04 0.00 -0.22 0.00 0.00 33.01 28.64 2h5k s GLN 145 CO 0.03 -2.03 -0.09 0.42 -0.25 0.00 0.00 175.29 173.36 2h5k s ILE 146 N 5.45 1.47 -0.11 1.08 1.01 -1.26 -5.04 121.20 123.79 2h5k s ILE 146 Ca 0.35 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 60.19 2h5k s ILE 146 Cb -0.09 -1.54 -0.01 0.00 0.01 0.00 0.00 42.46 40.83 2h5k s ILE 146 CO 0.17 0.21 -0.16 -0.36 0.00 0.00 0.00 174.94 174.79 2h5k s PHE 147 N 1.48 2.72 0.42 3.97 0.08 -1.26 -1.24 117.98 124.16 2h5k s PHE 147 Ca 0.00 -0.71 -0.26 0.00 0.12 0.00 0.00 56.93 56.08 2h5k s PHE 147 Cb -0.15 -1.78 -0.09 0.00 -0.57 0.00 0.00 43.02 40.42 2h5k s PHE 147 CO -0.08 -0.23 1.46 1.28 -0.10 0.00 0.00 175.22 177.55 2h5k n LEU 148 N 3.41 5.03 -3.74 -0.37 4.77 0.11 -4.94 117.00 121.27 2h5k n LEU 148 Ca -0.18 1.17 -0.12 0.00 -0.03 0.00 0.00 56.01 56.84 2h5k n LEU 148 Cb 0.53 -1.62 -0.12 0.00 -2.33 0.00 0.00 43.42 39.88 2h5k n LEU 148 CO 0.29 0.00 -0.04 -0.60 -1.33 0.00 0.00 177.39 175.72 2h5k s ARG 149 N -2.31 0.32 0.48 3.23 3.52 -1.26 -4.47 118.95 118.45 2h5k s ARG 149 Ca 0.58 0.55 -0.22 0.00 -0.13 0.00 0.00 55.73 56.51 2h5k s ARG 149 Cb -0.46 0.03 -0.09 0.00 -1.56 0.00 0.00 34.95 32.87 2h5k s ARG 149 CO 0.60 -0.11 0.89 -0.25 -0.81 0.00 0.00 175.30 175.62 2h5k n ASP 150 N 3.67 0.63 -4.86 -2.12 10.43 -1.26 -4.99 116.55 118.04 2h5k n ASP 150 Ca -0.19 0.93 -0.31 0.00 2.57 0.00 0.00 54.79 57.79 2h5k n ASP 150 Cb 0.56 -1.31 0.01 0.00 1.84 0.00 0.00 41.12 42.22 2h5k n ASP 150 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 2h5k s ILE 151 N -1.40 4.60 0.00 0.53 1.01 -1.26 -5.33 121.20 119.35 2h5k s ILE 151 Ca 0.67 0.88 0.00 0.00 0.00 0.00 0.00 60.65 62.20 2h5k s ILE 151 Cb -0.52 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.16 2h5k s ILE 151 CO 0.55 -1.07 0.00 -0.62 0.00 0.00 0.00 174.94 173.80