#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3imj s PRO 57 N 0.00 4.50 0.08 1.64 0.02 -1.26 -5.00 135.00 134.99 3imj s PRO 57 Ca 0.00 1.29 -0.31 0.00 0.02 0.00 0.00 61.00 62.00 3imj s PRO 57 Cb 0.00 -2.67 -0.07 0.00 0.02 0.00 0.00 34.50 31.78 3imj s PRO 57 CO 0.00 0.21 1.40 -1.01 -0.33 0.00 0.00 177.00 177.27 3imj s HIS 58 N -1.73 3.10 -2.00 6.54 3.76 -1.26 -4.91 115.29 118.78 3imj s HIS 58 Ca 0.53 0.89 0.03 0.00 -0.15 0.00 0.00 55.06 56.36 3imj s HIS 58 Cb -0.17 -3.68 0.17 0.00 1.11 0.00 0.00 32.58 30.01 3imj s HIS 58 CO 0.22 -2.45 0.88 -0.35 -0.85 0.00 0.00 174.74 172.19 3imj n PRO 59 N 4.43 0.76 0.00 8.40 -0.04 -1.26 -3.72 135.00 143.56 3imj n PRO 59 Ca 0.12 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.63 3imj n PRO 59 Cb 0.43 -1.06 -0.02 0.00 -0.04 0.00 0.00 33.50 32.80 3imj n PRO 59 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3imj n TRP 60 N -0.56 0.00 -3.40 0.54 4.27 -1.26 -4.66 117.44 112.37 3imj n TRP 60 Ca 0.02 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.24 3imj n TRP 60 Cb 0.01 0.00 -0.09 0.00 -1.36 0.00 0.00 31.31 29.87 3imj n TRP 60 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 3imj s PHE 61 N -1.54 3.23 -0.76 -2.67 5.36 -1.24 -0.02 117.98 120.33 3imj s PHE 61 Ca 0.06 0.25 0.08 0.00 -0.96 0.00 0.00 56.93 56.37 3imj s PHE 61 Cb 0.07 -2.61 0.23 0.00 -0.34 0.00 0.00 43.02 40.37 3imj s PHE 61 CO 0.29 -0.30 1.17 1.19 -1.46 0.00 0.00 175.22 176.12 3imj n PHE 62 N 5.36 0.34 -4.04 10.12 3.01 -0.63 -4.98 117.46 126.64 3imj n PHE 62 Ca -0.09 -0.47 0.00 0.00 1.01 0.00 0.00 57.45 57.91 3imj n PHE 62 Cb 0.50 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.94 3imj n PHE 62 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3imj n GLY 63 N 0.32 3.09 2.36 1.37 0.00 -1.26 -3.47 105.19 107.60 3imj n GLY 63 Ca 0.09 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 3imj n GLY 63 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3imj n LYS 64 N 14.00 3.41 -2.77 1.61 4.81 -1.26 -0.36 118.16 137.60 3imj n LYS 64 Ca 0.00 -2.46 -0.42 0.00 -0.87 0.00 0.00 58.31 54.56 3imj n LYS 64 Cb 0.00 -2.44 -0.03 0.00 0.02 0.00 0.00 35.03 32.57 3imj n LYS 64 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 3imj s ILE 65 N -0.24 4.88 0.65 3.15 2.07 -1.23 -4.97 121.20 125.50 3imj s ILE 65 Ca 0.61 1.95 -0.18 0.00 -1.41 0.00 0.00 60.65 61.63 3imj s ILE 65 Cb 0.25 -4.27 -0.02 0.00 0.13 0.00 0.00 42.46 38.56 3imj s ILE 65 CO -0.10 0.19 1.15 -2.65 -1.91 0.00 0.00 174.94 171.62 3imj n PRO 66 N 3.81 0.95 -0.27 3.50 -0.02 -1.26 -4.75 135.00 136.97 3imj n PRO 66 Ca 0.04 0.38 0.02 0.00 -2.02 0.00 0.00 63.50 61.92 3imj n PRO 66 Cb 0.51 -2.38 0.15 0.00 -0.02 0.00 0.00 33.50 31.75 3imj n PRO 66 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3imj h ARG 67 N 0.39 0.69 0.00 -0.52 2.43 -1.95 -1.09 114.38 114.34 3imj h ARG 67 Ca -0.50 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 58.55 3imj h ARG 67 Cb 1.35 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 3imj h ARG 67 CO 0.51 0.46 -0.38 0.00 -1.51 0.00 0.00 179.97 179.05 3imj h ALA 68 N 1.43 1.28 -0.17 2.80 0.00 -1.99 -1.36 119.26 121.26 3imj h ALA 68 Ca 0.37 -0.35 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 3imj h ALA 68 Cb 0.34 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.08 3imj h ALA 68 CO -0.25 0.48 -0.66 -0.22 0.00 0.00 0.00 179.25 178.60 3imj h LYS 69 N 0.00 0.74 -0.58 0.00 3.11 -1.71 -1.37 116.57 116.76 3imj h LYS 69 Ca -0.00 -0.58 -0.05 0.00 -2.81 0.00 0.00 60.65 57.21 3imj h LYS 69 Cb 0.71 0.11 -0.03 0.00 -1.00 0.00 0.00 32.23 32.03 3imj h LYS 69 CO 0.05 1.19 0.16 0.00 -2.81 0.00 0.00 179.45 178.04 3imj h ALA 70 N 0.55 1.20 -0.37 5.00 0.00 -0.84 -1.71 119.26 123.10 3imj h ALA 70 Ca -0.04 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 3imj h ALA 70 Cb 1.29 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3imj h ALA 70 CO 0.14 0.55 -0.06 0.93 0.00 0.00 0.00 179.25 180.81 3imj h GLU 71 N 0.85 0.70 -0.21 0.00 5.08 -1.11 -0.77 114.58 119.13 3imj h GLU 71 Ca 0.19 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3imj h GLU 71 Cb 0.27 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3imj h GLU 71 CO -0.01 0.84 0.09 1.49 -1.00 0.00 0.00 179.01 180.43 3imj h GLU 72 N 0.51 0.30 0.07 2.33 4.81 -1.03 -1.77 114.58 119.79 3imj h GLU 72 Ca 0.10 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3imj h GLU 72 Cb 0.56 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.89 3imj h GLU 72 CO 0.03 0.34 -0.03 1.98 -0.73 0.00 0.00 179.01 180.59 3imj h MET 73 N 0.20 -0.09 0.00 1.92 4.05 -1.26 -3.16 114.93 116.58 3imj h MET 73 Ca 0.07 0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.44 3imj h MET 73 Cb 0.14 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.95 3imj h MET 73 CO -0.01 0.11 -0.27 -0.07 0.23 0.00 0.00 176.91 176.91 3imj h LEU 74 N -0.29 0.00 -0.77 3.39 3.38 -1.15 -2.60 115.31 117.27 3imj h LEU 74 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3imj h LEU 74 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3imj h LEU 74 CO 0.02 0.27 0.00 0.77 0.09 0.00 0.00 178.44 179.58 3imj h SER 75 N 0.00 0.00 0.35 -0.43 4.64 -1.29 -2.69 113.55 114.14 3imj h SER 75 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3imj h SER 75 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 3imj h SER 75 CO 0.03 0.00 -0.40 0.29 -0.87 0.00 0.00 176.83 175.88 3imj n LYS 76 N -2.68 0.42 -2.70 4.77 5.02 -0.98 -4.92 118.16 117.08 3imj n LYS 76 Ca 0.02 -0.25 -0.34 0.00 -2.02 0.00 0.00 58.31 55.72 3imj n LYS 76 Cb 0.33 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.79 3imj n LYS 76 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3imj s GLN 77 N -2.76 4.11 -0.11 1.97 -1.52 -1.01 -5.01 119.66 115.33 3imj s GLN 77 Ca 0.17 1.25 -0.25 0.00 -1.95 0.00 0.00 55.36 54.58 3imj s GLN 77 Cb 0.18 -2.22 -0.28 0.00 -0.22 0.00 0.00 33.01 30.47 3imj s GLN 77 CO 0.62 -0.15 0.78 -0.09 -0.25 0.00 0.00 175.29 176.19 3imj h ARG 78 N 1.93 0.13 -6.41 2.91 2.43 -1.91 -3.48 114.38 109.99 3imj h ARG 78 Ca -0.49 -0.22 -0.54 0.00 -0.81 0.00 0.00 59.98 57.92 3imj h ARG 78 Cb 1.20 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.79 3imj h ARG 78 CO 0.61 1.10 0.13 -3.38 -1.51 0.00 0.00 179.97 176.92 3imj s HIS 79 N -2.32 3.84 0.22 2.20 -3.43 -1.26 -5.02 115.29 109.52 3imj s HIS 79 Ca -0.17 1.52 -0.30 0.00 -0.80 0.00 0.00 55.06 55.31 3imj s HIS 79 Cb -0.01 -2.73 -0.09 0.00 -1.43 0.00 0.00 32.58 28.33 3imj s HIS 79 CO 0.74 0.47 1.22 -0.51 -2.00 0.00 0.00 174.74 174.66 3imj s ASP 80 N -0.85 7.04 0.00 7.38 1.01 -1.26 -2.64 116.67 127.35 3imj s ASP 80 Ca 0.35 2.32 0.00 0.00 0.71 0.00 0.00 52.55 55.93 3imj s ASP 80 Cb -0.22 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.10 3imj s ASP 80 CO 0.24 -0.39 0.00 0.61 0.21 0.00 0.00 175.17 175.84 3imj n GLY 81 N 1.96 0.28 3.70 0.21 0.00 0.12 -4.78 105.19 106.67 3imj n GLY 81 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3imj n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3imj n ALA 82 N -1.66 2.34 -2.34 4.61 0.00 -1.08 -0.72 120.51 121.66 3imj n ALA 82 Ca 0.00 0.34 -0.18 0.00 0.00 0.00 0.00 53.44 53.60 3imj n ALA 82 Cb 0.00 -2.57 -0.08 0.00 0.00 0.00 0.00 19.45 16.80 3imj n ALA 82 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3imj s PHE 83 N 2.26 1.61 -0.10 0.00 -0.12 -1.13 -0.41 117.98 120.09 3imj s PHE 83 Ca 0.80 -1.59 -0.30 0.00 -0.05 0.00 0.00 56.93 55.79 3imj s PHE 83 Cb -0.50 -0.63 0.09 0.00 -0.63 0.00 0.00 43.02 41.35 3imj s PHE 83 CO 0.36 -0.87 0.79 -0.48 -0.05 0.00 0.00 175.22 174.97 3imj s LEU 84 N -3.33 -0.57 -0.17 -1.99 0.05 -0.91 -4.32 118.68 107.44 3imj s LEU 84 Ca 0.39 0.65 -0.05 0.00 0.05 0.00 0.00 54.13 55.17 3imj s LEU 84 Cb 0.03 2.31 -0.03 0.00 -2.05 0.00 0.00 46.19 46.44 3imj s LEU 84 CO 0.25 -0.50 0.00 -0.63 -0.55 0.00 0.00 176.35 174.92 3imj s ILE 85 N -1.08 4.25 0.16 1.48 -1.09 0.97 -1.87 121.20 124.01 3imj s ILE 85 Ca -0.07 -0.23 0.06 0.00 -2.23 0.00 0.00 60.65 58.18 3imj s ILE 85 Cb -0.00 -2.89 -0.04 0.00 -1.58 0.00 0.00 42.46 37.94 3imj s ILE 85 CO 0.07 0.47 -0.13 0.00 -1.23 0.00 0.00 174.94 174.13 3imj s ARG 86 N 0.42 1.15 -0.17 2.79 1.70 0.04 -1.60 118.95 123.27 3imj s ARG 86 Ca -0.01 -1.45 -0.25 0.00 -0.47 0.00 0.00 55.73 53.55 3imj s ARG 86 Cb -0.13 -0.87 -0.01 0.00 -0.57 0.00 0.00 34.95 33.36 3imj s ARG 86 CO 0.02 0.14 0.84 -1.21 -1.08 0.00 0.00 175.30 174.01 3imj s GLU 87 N -3.45 4.29 0.39 3.89 2.02 0.52 0.09 118.70 126.45 3imj s GLU 87 Ca 0.17 1.03 -0.24 0.00 0.02 0.00 0.00 54.97 55.94 3imj s GLU 87 Cb -0.00 -3.58 -0.12 0.00 0.10 0.00 0.00 34.13 30.53 3imj s GLU 87 CO 0.03 -0.35 0.83 0.45 0.02 0.00 0.00 175.26 176.25 3imj n SER 88 N 5.31 0.44 -0.08 -0.19 2.88 -0.41 -4.61 113.62 116.94 3imj n SER 88 Ca 0.05 1.02 -0.13 0.00 -1.33 0.00 0.00 58.87 58.48 3imj n SER 88 Cb 0.49 -1.24 -0.08 0.00 -0.75 0.00 0.00 64.21 62.62 3imj n SER 88 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 3imj h GLU 89 N 1.33 0.00 -0.08 -1.46 5.08 -1.93 -3.40 114.58 114.13 3imj h GLU 89 Ca -0.41 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.81 3imj h GLU 89 Cb 1.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 3imj h GLU 89 CO 0.56 0.62 -0.58 0.66 -1.00 0.00 0.00 179.01 179.27 3imj h SER 90 N -1.00 0.27 -4.14 1.42 4.64 -2.00 -3.39 113.55 109.34 3imj h SER 90 Ca -0.15 -0.15 -0.65 0.00 -0.47 0.00 0.00 61.79 60.38 3imj h SER 90 Cb 0.88 -0.08 -0.41 0.00 -0.31 0.00 0.00 62.40 62.48 3imj h SER 90 CO -0.09 0.79 -0.66 0.00 -0.87 0.00 0.00 176.83 175.99 3imj s ALA 91 N -3.81 3.16 0.26 5.18 0.00 -1.26 -5.10 121.76 120.19 3imj s ALA 91 Ca -0.04 -3.03 -0.31 0.00 0.00 0.00 0.00 51.96 48.59 3imj s ALA 91 Cb 0.12 -2.09 -0.12 0.00 0.00 0.00 0.00 23.12 21.02 3imj s ALA 91 CO 0.79 -1.91 1.53 -2.30 0.00 0.00 0.00 175.76 173.88 3imj n PRO 92 N 3.49 2.44 -0.39 0.00 -0.02 -1.26 -2.22 135.00 137.04 3imj n PRO 92 Ca 0.05 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 3imj n PRO 92 Cb 0.35 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 3imj n PRO 92 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3imj n GLY 93 N 2.29 1.29 3.91 -1.23 0.00 -1.26 -5.03 105.19 105.16 3imj n GLY 93 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 3imj n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3imj s ASP 94 N -3.13 4.86 0.24 1.61 1.01 -0.94 -5.02 116.67 115.29 3imj s ASP 94 Ca 0.00 -1.00 0.12 0.00 0.71 0.00 0.00 52.55 52.38 3imj s ASP 94 Cb 0.00 0.02 -0.05 0.00 1.01 0.00 0.00 42.92 43.91 3imj s ASP 94 CO 0.00 -0.97 -0.22 -0.36 0.21 0.00 0.00 175.17 173.83 3imj s PHE 95 N -2.64 2.28 0.02 4.23 0.40 -1.26 -1.29 117.98 119.71 3imj s PHE 95 Ca 0.44 -0.35 0.02 0.00 -0.60 0.00 0.00 56.93 56.44 3imj s PHE 95 Cb -0.03 -1.05 -0.01 0.00 0.51 0.00 0.00 43.02 42.43 3imj s PHE 95 CO 0.27 0.61 -0.07 -1.12 0.70 0.00 0.00 175.22 175.61 3imj s SER 96 N -3.12 0.83 -0.20 1.36 0.01 0.11 -1.37 113.70 111.32 3imj s SER 96 Ca 0.26 -0.32 -0.03 0.00 1.31 0.00 0.00 55.95 57.16 3imj s SER 96 Cb -0.06 -0.03 -0.01 0.00 0.21 0.00 0.00 66.02 66.13 3imj s SER 96 CO 0.12 -0.05 -0.06 -0.22 0.41 0.00 0.00 173.24 173.45 3imj s LEU 97 N -0.82 2.90 -0.14 2.44 2.96 0.17 -0.78 118.68 125.40 3imj s LEU 97 Ca -0.03 -0.36 -0.00 0.00 -0.22 0.00 0.00 54.13 53.52 3imj s LEU 97 Cb -0.06 -1.72 -0.01 0.00 0.50 0.00 0.00 46.19 44.90 3imj s LEU 97 CO 0.00 0.03 -0.13 -0.44 -1.32 0.00 0.00 176.35 174.49 3imj s SER 98 N 1.21 3.99 -0.02 3.68 0.01 -0.78 0.29 113.70 122.07 3imj s SER 98 Ca 0.02 -0.35 0.03 0.00 1.31 0.00 0.00 55.95 56.96 3imj s SER 98 Cb -0.14 -1.62 -0.00 0.00 0.21 0.00 0.00 66.02 64.47 3imj s SER 98 CO -0.01 0.14 -0.10 -0.69 0.41 0.00 0.00 173.24 172.98 3imj s VAL 99 N 0.52 0.87 0.16 3.43 1.01 0.62 -2.14 120.40 124.87 3imj s VAL 99 Ca -0.09 -0.43 -0.27 0.00 0.00 0.00 0.00 61.98 61.19 3imj s VAL 99 Cb -0.16 -0.76 -0.08 0.00 0.00 0.00 0.00 36.38 35.39 3imj s VAL 99 CO 0.04 0.26 0.85 -0.75 0.00 0.00 0.00 175.10 175.50 3imj s LYS 100 N 0.03 4.66 -0.29 2.72 2.20 0.45 0.00 119.74 129.51 3imj s LYS 100 Ca -0.01 1.28 0.02 0.00 -0.36 0.00 0.00 55.97 56.91 3imj s LYS 100 Cb -0.07 -3.30 0.16 0.00 -1.51 0.00 0.00 37.83 33.11 3imj s LYS 100 CO 0.00 0.45 0.43 0.12 -0.36 0.00 0.00 175.35 176.00 3imj s PHE 101 N -0.80 -1.11 -0.10 4.03 2.19 -0.03 -0.71 117.98 121.45 3imj s PHE 101 Ca 0.39 0.48 -0.09 0.00 0.33 0.00 0.00 56.93 58.05 3imj s PHE 101 Cb -0.24 -0.07 0.01 0.00 -1.31 0.00 0.00 43.02 41.42 3imj s PHE 101 CO 0.28 -0.98 0.16 0.41 1.83 0.00 0.00 175.22 176.92 3imj n GLY 102 N 5.36 0.05 3.38 13.12 0.00 -1.26 -2.20 105.19 123.64 3imj n GLY 102 Ca 0.01 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.30 3imj n GLY 102 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3imj n ASN 103 N 0.96 -1.95 -4.22 1.61 0.23 -1.26 -4.95 115.26 105.68 3imj n ASN 103 Ca -0.02 0.00 -0.18 0.00 -0.53 0.00 0.00 54.58 53.85 3imj n ASN 103 Cb 0.39 -2.20 -0.11 0.00 -2.08 0.00 0.00 39.78 35.78 3imj n ASN 103 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3imj s ASP 104 N -2.16 1.91 -0.21 0.53 3.68 -0.93 -5.08 116.67 114.41 3imj s ASP 104 Ca 0.00 -0.74 0.01 0.00 2.13 0.00 0.00 52.55 53.95 3imj s ASP 104 Cb 0.00 -0.06 0.04 0.00 -1.45 0.00 0.00 42.92 41.45 3imj s ASP 104 CO 0.00 -0.11 -0.12 -0.69 0.13 0.00 0.00 175.17 174.37 3imj s VAL 105 N -1.80 1.82 -0.05 1.11 1.01 -1.26 -0.85 120.40 120.38 3imj s VAL 105 Ca 0.05 -1.11 -0.17 0.00 0.00 0.00 0.00 61.98 60.75 3imj s VAL 105 Cb -0.07 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.41 3imj s VAL 105 CO 0.03 0.20 0.45 -1.10 0.00 0.00 0.00 175.10 174.68 3imj s GLN 106 N 1.32 4.15 -0.15 2.72 -0.21 0.10 -4.88 119.66 122.71 3imj s GLN 106 Ca -0.01 0.45 -0.03 0.00 0.02 0.00 0.00 55.36 55.79 3imj s GLN 106 Cb -0.16 -3.32 -0.03 0.00 1.00 0.00 0.00 33.01 30.50 3imj s GLN 106 CO -0.08 0.44 -0.05 -1.01 -2.12 0.00 0.00 175.29 172.47 3imj s HIS 107 N -0.30 2.99 -0.03 0.91 3.76 -1.26 -0.27 115.29 121.09 3imj s HIS 107 Ca 0.25 -0.35 0.06 0.00 -0.15 0.00 0.00 55.06 54.87 3imj s HIS 107 Cb -0.16 -1.94 -0.01 0.00 1.11 0.00 0.00 32.58 31.57 3imj s HIS 107 CO 0.12 -0.06 -0.21 -0.06 -0.85 0.00 0.00 174.74 173.68 3imj s PHE 108 N 0.37 1.98 0.04 1.40 0.40 0.15 -4.98 117.98 117.32 3imj s PHE 108 Ca -0.05 -0.46 -0.17 0.00 -0.60 0.00 0.00 56.93 55.65 3imj s PHE 108 Cb -0.14 -1.29 -0.06 0.00 0.51 0.00 0.00 43.02 42.03 3imj s PHE 108 CO 0.03 -0.09 0.50 -1.59 0.70 0.00 0.00 175.22 174.77 3imj s LYS 109 N -0.33 4.08 -0.61 0.44 -2.85 -1.26 0.42 119.74 119.63 3imj s LYS 109 Ca 0.04 0.59 -0.22 0.00 -1.00 0.00 0.00 55.97 55.38 3imj s LYS 109 Cb -0.10 -3.23 0.07 0.00 -2.06 0.00 0.00 37.83 32.51 3imj s LYS 109 CO 0.01 0.66 0.87 0.08 0.10 0.00 0.00 175.35 177.06 3imj s VAL 110 N -1.08 4.49 0.54 1.79 1.01 -0.47 -4.70 120.40 121.99 3imj s VAL 110 Ca 0.27 -0.36 -0.17 0.00 0.00 0.00 0.00 61.98 61.71 3imj s VAL 110 Cb -0.18 -4.57 -0.06 0.00 0.00 0.00 0.00 36.38 31.56 3imj s VAL 110 CO 0.16 -1.25 1.03 -0.76 0.00 0.00 0.00 175.10 174.29 3imj s LEU 111 N 3.62 3.63 0.04 3.92 2.01 0.05 -4.45 118.68 127.50 3imj s LEU 111 Ca 0.21 1.78 0.07 0.00 0.01 0.00 0.00 54.13 56.19 3imj s LEU 111 Cb -0.18 -4.53 -0.02 0.00 0.01 0.00 0.00 46.19 41.47 3imj s LEU 111 CO 0.11 -0.90 -0.19 -0.13 1.01 0.00 0.00 176.35 176.26 3imj s ARG 112 N -3.84 1.26 0.26 1.70 1.81 -1.26 -1.21 118.95 117.68 3imj s ARG 112 Ca 0.63 -0.88 0.03 0.00 -1.72 0.00 0.00 55.73 53.79 3imj s ARG 112 Cb -0.14 -1.35 0.03 0.00 -0.45 0.00 0.00 34.95 33.04 3imj s ARG 112 CO 0.30 0.34 0.25 -0.40 -0.68 0.00 0.00 175.30 175.11 3imj n ASP 113 N 1.89 1.58 0.29 0.23 5.68 -1.16 -4.97 116.55 120.10 3imj n ASP 113 Ca -0.17 -1.84 0.19 0.00 -0.50 0.00 0.00 54.79 52.46 3imj n ASP 113 Cb 0.54 -0.07 0.88 0.00 -1.14 0.00 0.00 41.12 41.32 3imj n ASP 113 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3imj h GLY 114 N 0.23 0.00 -1.75 6.12 0.00 -2.02 -2.23 103.07 103.43 3imj h GLY 114 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.18 3imj h GLY 114 CO 0.24 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.78 3imj n ALA 115 N -2.06 2.46 -1.00 3.60 0.00 -1.26 -4.95 120.51 117.30 3imj n ALA 115 Ca -0.01 -0.81 -0.00 0.00 0.00 0.00 0.00 53.44 52.62 3imj n ALA 115 Cb 0.20 -0.95 -0.00 0.00 0.00 0.00 0.00 19.45 18.70 3imj n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3imj n GLY 116 N 1.36 0.44 3.82 0.00 0.00 -0.84 -5.05 105.19 104.93 3imj n GLY 116 Ca 0.18 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 3imj n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3imj s LYS 117 N -0.98 2.25 0.01 1.61 -0.14 -1.26 -4.82 119.74 116.40 3imj s LYS 117 Ca 0.00 0.62 0.05 0.00 -1.36 0.00 0.00 55.97 55.28 3imj s LYS 117 Cb 0.00 -1.94 -0.03 0.00 -1.68 0.00 0.00 37.83 34.18 3imj s LYS 117 CO 0.00 -1.50 -0.14 0.71 -0.76 0.00 0.00 175.35 173.67 3imj s TYR 118 N -3.19 2.69 0.04 3.18 1.51 0.12 -2.98 117.35 118.71 3imj s TYR 118 Ca 0.60 -0.17 -0.27 0.00 -1.01 0.00 0.00 57.07 56.22 3imj s TYR 118 Cb -0.14 -1.55 0.08 0.00 -0.11 0.00 0.00 41.96 40.25 3imj s TYR 118 CO 0.54 0.27 0.71 -0.59 -1.11 0.00 0.00 175.55 175.37 3imj s PHE 119 N -0.90 -0.53 -0.18 2.71 -0.12 -0.35 -0.60 117.98 118.01 3imj s PHE 119 Ca 0.15 0.58 -0.01 0.00 -0.05 0.00 0.00 56.93 57.59 3imj s PHE 119 Cb -0.11 0.50 -0.11 0.00 -0.63 0.00 0.00 43.02 42.67 3imj s PHE 119 CO 0.05 -0.68 -0.18 1.28 -0.05 0.00 0.00 175.22 175.64 3imj n LEU 120 N 0.13 2.63 0.00 -1.99 4.77 -1.26 -0.77 117.00 120.51 3imj n LEU 120 Ca -0.15 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 3imj n LEU 120 Cb 0.61 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3imj n LEU 120 CO 0.16 0.72 0.00 0.79 -1.33 0.00 0.00 177.39 177.72 3imj n TRP 121 N -3.21 0.00 -0.00 -1.77 7.02 -1.26 -4.91 117.44 113.30 3imj n TRP 121 Ca -0.33 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.14 3imj n TRP 121 Cb 0.83 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 29.71 3imj n TRP 121 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 3imj n VAL 122 N -0.56 0.04 -1.83 -0.99 0.31 -1.26 -5.04 118.33 109.01 3imj n VAL 122 Ca 0.00 -0.01 -0.42 0.00 -0.01 0.00 0.00 64.34 63.90 3imj n VAL 122 Cb 0.00 -1.37 -0.03 0.00 -0.91 0.00 0.00 33.84 31.53 3imj n VAL 122 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3imj s VAL 123 N -2.01 2.61 0.08 2.52 1.01 -1.26 -5.00 120.40 118.35 3imj s VAL 123 Ca -0.01 0.25 -0.09 0.00 0.00 0.00 0.00 61.98 62.13 3imj s VAL 123 Cb 0.00 -3.16 -0.06 0.00 0.00 0.00 0.00 36.38 33.16 3imj s VAL 123 CO 0.01 0.01 0.39 -0.54 0.00 0.00 0.00 175.10 174.97 3imj s LYS 124 N 2.12 3.73 0.07 2.72 -0.14 -1.26 -4.50 119.74 122.48 3imj s LYS 124 Ca 0.76 0.13 0.05 0.00 -1.36 0.00 0.00 55.97 55.54 3imj s LYS 124 Cb -0.44 -2.98 -0.03 0.00 -1.68 0.00 0.00 37.83 32.70 3imj s LYS 124 CO 0.33 0.55 -0.14 -0.06 -0.76 0.00 0.00 175.35 175.28 3imj s PHE 125 N -1.43 1.18 -0.92 3.18 0.40 0.23 -4.95 117.98 115.67 3imj s PHE 125 Ca 0.34 -0.47 0.27 0.00 -0.60 0.00 0.00 56.93 56.47 3imj s PHE 125 Cb -0.14 -0.66 0.95 0.00 0.51 0.00 0.00 43.02 43.68 3imj s PHE 125 CO 0.19 0.05 1.76 0.09 0.70 0.00 0.00 175.22 178.00 3imj n ASN 126 N 1.25 0.30 -3.67 1.36 3.02 -1.26 -0.71 115.26 115.55 3imj n ASN 126 Ca -0.21 0.35 -0.10 0.00 -0.03 0.00 0.00 54.58 54.58 3imj n ASN 126 Cb 0.54 -0.36 -0.04 0.00 -0.61 0.00 0.00 39.78 39.31 3imj n ASN 126 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3imj s SER 127 N -3.39 -0.29 0.35 6.41 1.04 -1.26 -4.89 113.70 111.66 3imj s SER 127 Ca 0.12 -0.38 0.08 0.00 0.48 0.00 0.00 55.95 56.26 3imj s SER 127 Cb 0.17 0.55 0.64 0.00 0.10 0.00 0.00 66.02 67.49 3imj s SER 127 CO 0.59 -0.99 1.83 -0.07 0.98 0.00 0.00 173.24 175.58 3imj h LEU 128 N 2.21 0.25 -0.40 2.42 3.38 -1.98 -2.76 115.31 118.43 3imj h LEU 128 Ca -0.31 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3imj h LEU 128 Cb 1.27 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 3imj h LEU 128 CO 0.40 0.49 0.26 -1.13 0.09 0.00 0.00 178.44 178.55 3imj h ASN 129 N 0.23 0.46 0.20 -0.43 -0.00 -1.99 -1.37 115.58 112.68 3imj h ASN 129 Ca 0.04 -0.02 -0.14 0.00 -0.00 0.00 0.00 56.30 56.18 3imj h ASN 129 Cb 0.54 -0.12 -0.01 0.00 -0.00 0.00 0.00 38.32 38.74 3imj h ASN 129 CO 0.04 0.34 -0.54 -0.33 -0.00 0.00 0.00 177.43 176.94 3imj h GLU 130 N 0.54 0.37 -0.08 6.67 5.08 -1.93 -1.89 114.58 123.34 3imj h GLU 130 Ca 0.15 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 3imj h GLU 130 Cb -0.05 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 3imj h GLU 130 CO -0.03 0.82 0.03 1.25 -1.00 0.00 0.00 179.01 180.07 3imj h LEU 131 N 0.28 0.11 -0.04 1.33 6.46 -1.25 -1.44 115.31 120.77 3imj h LEU 131 Ca 0.00 -0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.58 3imj h LEU 131 Cb 1.05 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.95 3imj h LEU 131 CO 0.09 0.27 0.02 0.58 -0.62 0.00 0.00 178.44 178.78 3imj h VAL 132 N -0.06 1.01 -0.15 1.05 2.07 -1.20 -2.55 116.25 116.43 3imj h VAL 132 Ca 0.02 -0.02 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 3imj h VAL 132 Cb 0.20 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3imj h VAL 132 CO -0.00 0.01 -0.32 0.44 0.02 0.00 0.00 177.57 177.72 3imj h ASP 133 N 0.05 0.30 -0.52 0.57 3.32 -1.30 -2.76 116.42 116.08 3imj h ASP 133 Ca 0.01 -0.11 -0.11 0.00 0.02 0.00 0.00 57.03 56.85 3imj h ASP 133 Cb -0.01 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 3imj h ASP 133 CO -0.00 0.61 -0.09 0.22 -1.72 0.00 0.00 179.24 178.26 3imj h TYR 134 N 0.26 1.10 0.00 4.55 3.20 -1.20 -2.87 116.97 122.00 3imj h TYR 134 Ca 0.03 -0.22 0.00 0.00 3.14 0.00 0.00 58.73 61.68 3imj h TYR 134 Cb 0.70 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.70 3imj h TYR 134 CO 0.01 1.02 0.00 0.72 -1.64 0.00 0.00 178.16 178.28 3imj n HIS 135 N -4.20 0.00 0.39 -3.82 8.25 -0.97 -1.79 115.22 113.08 3imj n HIS 135 Ca 0.01 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.59 3imj n HIS 135 Cb 0.38 0.00 0.21 0.00 1.12 0.00 0.00 29.99 31.71 3imj n HIS 135 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3imj h ARG 136 N 0.00 0.00 0.00 -0.41 3.08 -1.36 -0.67 114.38 115.02 3imj h ARG 136 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3imj h ARG 136 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3imj h ARG 136 CO 0.00 0.00 -0.93 -1.13 -1.07 0.00 0.00 179.97 176.84 3imj n SER 137 N -2.60 4.65 -4.49 7.04 3.41 -1.07 -4.47 113.62 116.09 3imj n SER 137 Ca 0.04 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.31 3imj n SER 137 Cb 0.49 0.78 -0.13 0.00 -0.26 0.00 0.00 64.21 65.09 3imj n SER 137 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3imj s THR 138 N -1.88 3.44 0.41 6.66 2.01 -0.74 -5.04 115.64 120.50 3imj s THR 138 Ca 0.00 -0.55 -0.26 0.00 0.31 0.00 0.00 61.69 61.18 3imj s THR 138 Cb 0.00 -2.43 -0.09 0.00 0.01 0.00 0.00 72.50 69.99 3imj s THR 138 CO 0.00 0.56 1.41 -0.55 -0.69 0.00 0.00 174.62 175.35 3imj s SER 139 N -0.25 6.15 0.12 3.53 0.15 -1.26 -4.26 113.70 117.87 3imj s SER 139 Ca 0.03 2.88 0.25 0.00 0.70 0.00 0.00 55.95 59.81 3imj s SER 139 Cb -0.13 -2.65 0.57 0.00 -1.71 0.00 0.00 66.02 62.10 3imj s SER 139 CO 0.03 -0.99 1.51 1.33 1.20 0.00 0.00 173.24 176.32 3imj n VAL 140 N 0.11 0.36 -4.33 4.45 0.24 -0.72 -4.85 118.33 113.59 3imj n VAL 140 Ca 0.03 -0.22 -0.34 0.00 -2.04 0.00 0.00 64.34 61.77 3imj n VAL 140 Cb 0.41 -0.25 -0.09 0.00 -1.47 0.00 0.00 33.84 32.44 3imj n VAL 140 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3imj s SER 141 N -4.08 5.26 0.06 -1.34 0.15 -1.26 -4.98 113.70 107.51 3imj s SER 141 Ca 0.09 0.12 0.24 0.00 0.70 0.00 0.00 55.95 57.10 3imj s SER 141 Cb 0.14 -1.46 0.38 0.00 -1.71 0.00 0.00 66.02 63.36 3imj s SER 141 CO 0.67 0.35 1.32 0.54 1.20 0.00 0.00 173.24 177.32 3imj n ARG 142 N 1.91 0.18 -0.07 5.44 1.74 -1.26 -4.37 116.66 120.23 3imj n ARG 142 Ca -0.17 0.04 -0.06 0.00 -0.77 0.00 0.00 57.85 56.89 3imj n ARG 142 Cb 0.53 -1.60 -0.02 0.00 -1.02 0.00 0.00 32.46 30.35 3imj n ARG 142 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3imj n ASN 143 N -1.85 1.81 -4.70 0.55 3.02 -1.26 -5.04 115.26 107.80 3imj n ASN 143 Ca 0.04 0.62 -0.30 0.00 -0.03 0.00 0.00 54.58 54.91 3imj n ASN 143 Cb 0.40 -0.87 -0.09 0.00 -0.61 0.00 0.00 39.78 38.60 3imj n ASN 143 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3imj s GLN 144 N -2.27 2.09 -0.77 3.52 1.11 -1.26 -5.08 119.66 116.99 3imj s GLN 144 Ca -0.16 -2.21 -0.20 0.00 0.01 0.00 0.00 55.36 52.80 3imj s GLN 144 Cb 0.02 -1.64 0.10 0.00 -1.01 0.00 0.00 33.01 30.49 3imj s GLN 144 CO 0.25 -0.20 1.01 -0.65 0.01 0.00 0.00 175.29 175.70 3imj s GLN 145 N -3.81 3.32 -0.33 2.91 -0.21 -1.26 -4.30 119.66 115.97 3imj s GLN 145 Ca 0.23 -1.29 0.03 0.00 0.02 0.00 0.00 55.36 54.35 3imj s GLN 145 Cb 0.06 -4.54 0.09 0.00 1.00 0.00 0.00 33.01 29.62 3imj s GLN 145 CO 0.12 -1.77 0.03 0.42 -2.12 0.00 0.00 175.29 171.97 3imj s ILE 146 N 3.32 2.37 -0.15 1.08 1.01 -1.26 -5.04 121.20 122.52 3imj s ILE 146 Ca 0.26 -2.15 -0.08 0.00 0.00 0.00 0.00 60.65 58.67 3imj s ILE 146 Cb -0.12 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 3imj s ILE 146 CO 0.01 -0.48 0.14 -0.36 0.00 0.00 0.00 174.94 174.25 3imj s PHE 147 N 0.97 3.52 0.10 3.97 0.40 -1.26 -1.75 117.98 123.94 3imj s PHE 147 Ca 0.06 0.45 -0.31 0.00 -0.60 0.00 0.00 56.93 56.53 3imj s PHE 147 Cb -0.20 -2.03 -0.08 0.00 0.51 0.00 0.00 43.02 41.23 3imj s PHE 147 CO -0.07 0.56 1.41 -0.51 0.70 0.00 0.00 175.22 177.31 3imj s LEU 148 N -0.48 4.36 -0.03 -0.37 1.43 -0.26 -4.22 118.68 119.12 3imj s LEU 148 Ca 0.12 2.32 0.02 0.00 -1.03 0.00 0.00 54.13 55.56 3imj s LEU 148 Cb -0.12 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.53 3imj s LEU 148 CO 0.02 -0.67 -0.07 -0.13 0.23 0.00 0.00 176.35 175.72 3imj s ARG 149 N 1.29 0.82 0.44 1.70 0.52 0.10 -4.46 118.95 119.36 3imj s ARG 149 Ca 0.65 -0.23 -0.25 0.00 -0.52 0.00 0.00 55.73 55.39 3imj s ARG 149 Cb -0.37 -0.79 -0.09 0.00 0.52 0.00 0.00 34.95 34.22 3imj s ARG 149 CO 0.30 0.06 1.24 -0.25 0.02 0.00 0.00 175.30 176.67 3imj n ASP 150 N 3.44 2.37 -4.76 0.23 8.00 -1.26 -2.85 116.55 121.72 3imj n ASP 150 Ca -0.19 1.08 -0.36 0.00 0.71 0.00 0.00 54.79 56.02 3imj n ASP 150 Cb 0.54 -1.49 0.03 0.00 -0.02 0.00 0.00 41.12 40.18 3imj n ASP 150 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3imj s ILE 151 N -1.22 2.66 -0.08 0.53 -5.25 -1.26 -4.81 121.20 111.76 3imj s ILE 151 Ca 0.62 0.43 0.04 0.00 -0.99 0.00 0.00 60.65 60.75 3imj s ILE 151 Cb -0.50 -3.18 -0.00 0.00 2.95 0.00 0.00 42.46 41.73 3imj s ILE 151 CO 0.57 -0.07 -0.21 -1.83 -1.79 0.00 0.00 174.94 171.61 3imj s GLU 152 N -3.22 2.50 0.00 0.37 -1.05 -1.26 -5.06 118.70 110.98 3imj s GLU 152 Ca 0.75 -0.76 0.00 0.00 -0.15 0.00 0.00 54.97 54.81 3imj s GLU 152 Cb -0.31 -1.99 0.00 0.00 -0.44 0.00 0.00 34.13 31.39 3imj s GLU 152 CO 0.34 0.20 0.00 0.94 0.95 0.00 0.00 175.26 177.70 3imj n GLN 153 N 3.39 0.00 -2.70 -4.83 7.27 -1.26 -5.01 117.38 114.25 3imj n GLN 153 Ca -0.19 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.88 3imj n GLN 153 Cb 0.53 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.18 3imj n GLN 153 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 3imj n VAL 154 N 0.00 -0.76 0.00 1.69 0.31 -1.26 -5.15 118.33 113.16 3imj n VAL 154 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3imj n VAL 154 Cb 0.00 -2.17 0.00 0.00 -0.91 0.00 0.00 33.84 30.76 3imj n VAL 154 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86