#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r1s n ILE 55 N 0.00 0.00 -1.80 2.12 -5.35 -1.26 -4.99 119.36 108.08 1r1s n ILE 55 Ca 0.00 0.00 -0.42 0.00 -0.27 0.00 0.00 62.75 62.06 1r1s n ILE 55 Cb 0.00 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 37.87 1r1s n ILE 55 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 1r1s s GLU 56 N 0.00 4.16 0.58 6.28 -1.05 -1.26 -4.94 118.70 122.48 1r1s s GLU 56 Ca 0.00 2.50 -0.20 0.00 -0.15 0.00 0.00 54.97 57.12 1r1s s GLU 56 Cb 0.00 -3.35 -0.03 0.00 -0.44 0.00 0.00 34.13 30.31 1r1s s GLU 56 CO 0.00 -0.75 1.32 -0.06 0.95 0.00 0.00 175.26 176.73 1r1s s PHE 57 N 1.91 2.22 0.94 4.83 2.99 -1.26 -4.99 117.98 124.62 1r1s s PHE 57 Ca 0.76 1.42 -0.11 0.00 0.00 0.00 0.00 56.93 59.00 1r1s s PHE 57 Cb -0.46 -3.74 0.11 0.00 0.00 0.00 0.00 43.02 38.94 1r1s s PHE 57 CO 0.33 -2.86 0.87 -2.30 -0.00 0.00 0.00 175.22 171.27 1r1s n PRO 58 N -1.37 -0.46 0.23 0.24 -0.02 -1.26 -4.89 135.00 127.47 1r1s n PRO 58 Ca 0.12 -0.08 0.09 0.00 -2.02 0.00 0.00 63.50 61.61 1r1s n PRO 58 Cb 0.46 -2.18 0.56 0.00 -0.02 0.00 0.00 33.50 32.33 1r1s n PRO 58 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1r1s h GLU 59 N -1.80 0.00 -0.15 -0.52 4.11 -2.02 -1.99 114.58 112.21 1r1s h GLU 59 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 1r1s h GLU 59 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1r1s h GLU 59 CO 0.39 0.21 0.00 -2.67 0.07 0.00 0.00 179.01 177.01 1r1s n TRP 60 N -3.83 0.17 -3.09 2.06 4.27 -1.26 -4.83 117.44 110.93 1r1s n TRP 60 Ca -0.02 -0.09 -0.43 0.00 -3.89 0.00 0.00 57.50 53.07 1r1s n TRP 60 Cb 0.31 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.20 1r1s n TRP 60 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 1r1s s PHE 61 N -1.83 3.01 -0.64 -2.67 2.19 -0.75 -1.40 117.98 115.89 1r1s s PHE 61 Ca 0.34 -0.29 0.02 0.00 0.33 0.00 0.00 56.93 57.33 1r1s s PHE 61 Cb 0.20 -3.55 0.16 0.00 -1.31 0.00 0.00 43.02 38.52 1r1s s PHE 61 CO 0.30 -1.03 0.43 -1.01 1.83 0.00 0.00 175.22 175.75 1r1s s HIS 62 N 2.90 3.43 0.27 10.12 3.76 -0.22 -4.84 115.29 130.71 1r1s s HIS 62 Ca 0.20 -3.07 0.01 0.00 -0.15 0.00 0.00 55.06 52.05 1r1s s HIS 62 Cb -0.16 -2.96 0.59 0.00 1.11 0.00 0.00 32.58 31.16 1r1s s HIS 62 CO 0.15 -0.72 1.76 1.05 -0.85 0.00 0.00 174.74 176.13 1r1s h GLU 63 N 6.32 0.62 -0.70 1.40 4.11 -1.95 -2.60 114.58 121.78 1r1s h GLU 63 Ca 0.02 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1r1s h GLU 63 Cb 0.87 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1r1s h GLU 63 CO 0.72 0.41 0.00 0.41 0.07 0.00 0.00 179.01 180.62 1r1s n GLY 64 N -1.33 2.53 3.73 1.06 0.00 -1.26 -1.79 105.19 108.13 1r1s n GLY 64 Ca 0.19 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 1r1s n GLY 64 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1r1s s LEU 65 N -1.36 4.51 0.81 0.99 2.96 -0.98 -5.02 118.68 120.60 1r1s s LEU 65 Ca 0.50 1.83 -0.11 0.00 -0.22 0.00 0.00 54.13 56.12 1r1s s LEU 65 Cb 0.29 -3.59 0.08 0.00 0.50 0.00 0.00 46.19 43.47 1r1s s LEU 65 CO 0.30 -0.06 1.09 -0.94 -1.32 0.00 0.00 176.35 175.42 1r1s s SER 66 N -0.10 4.27 0.35 3.68 1.04 -1.26 -4.72 113.70 116.95 1r1s s SER 66 Ca 0.47 1.48 0.07 0.00 0.48 0.00 0.00 55.95 58.44 1r1s s SER 66 Cb -0.24 -2.21 0.74 0.00 0.10 0.00 0.00 66.02 64.41 1r1s s SER 66 CO 0.30 -2.14 1.90 -0.09 0.98 0.00 0.00 173.24 174.20 1r1s h ARG 67 N -1.20 0.75 0.10 4.02 2.43 -1.95 0.30 114.38 118.83 1r1s h ARG 67 Ca -0.47 -0.05 -0.33 0.00 -0.81 0.00 0.00 59.98 58.33 1r1s h ARG 67 Cb 1.26 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.62 1r1s h ARG 67 CO 0.56 0.50 -1.76 1.25 -1.51 0.00 0.00 179.97 179.00 1r1s h HIS 68 N 0.77 0.40 -0.28 2.20 2.76 -2.00 -1.68 115.15 117.32 1r1s h HIS 68 Ca 0.40 -0.29 -0.15 0.00 -2.20 0.00 0.00 60.37 58.13 1r1s h HIS 68 Cb 0.51 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.44 1r1s h HIS 68 CO -0.00 1.48 -0.44 1.96 -1.30 0.00 0.00 177.93 179.63 1r1s h GLN 69 N 0.06 0.70 -0.95 5.26 4.20 -1.82 -2.89 115.11 119.67 1r1s h GLN 69 Ca -0.33 -0.39 0.06 0.00 0.06 0.00 0.00 58.65 58.05 1r1s h GLN 69 Cb 2.03 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 29.77 1r1s h GLN 69 CO 0.12 1.00 0.61 0.00 -0.67 0.00 0.00 178.83 179.90 1r1s h ALA 70 N 0.94 1.31 0.04 3.87 0.00 -0.06 -2.40 119.26 122.96 1r1s h ALA 70 Ca 0.04 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1r1s h ALA 70 Cb 0.99 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1r1s h ALA 70 CO 0.09 0.41 -0.19 0.93 0.00 0.00 0.00 179.25 180.49 1r1s h GLU 71 N 1.12 -0.32 -0.79 0.00 5.08 -1.20 -1.37 114.58 117.11 1r1s h GLU 71 Ca 0.41 0.02 0.18 0.00 -1.00 0.00 0.00 59.36 58.97 1r1s h GLU 71 Cb 0.14 0.07 -0.12 0.00 0.50 0.00 0.00 28.75 29.34 1r1s h GLU 71 CO -0.16 -0.21 0.19 -0.91 -1.00 0.00 0.00 179.01 176.91 1r1s h ASN 72 N -0.33 -0.01 0.21 1.42 2.35 -1.50 0.26 115.58 117.98 1r1s h ASN 72 Ca 0.05 0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.95 1r1s h ASN 72 Cb 0.38 0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.98 1r1s h ASN 72 CO -0.15 -0.08 -0.10 0.25 -1.65 0.00 0.00 177.43 175.70 1r1s h LEU 73 N 0.25 -0.23 -0.14 1.61 5.85 -1.20 -3.27 115.31 118.16 1r1s h LEU 73 Ca 0.46 -0.27 -0.06 0.00 0.84 0.00 0.00 57.88 58.85 1r1s h LEU 73 Cb 0.83 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 1r1s h LEU 73 CO -0.57 0.18 -0.29 -0.07 -0.34 0.00 0.00 178.44 177.36 1r1s h LEU 74 N -0.70 0.00 -1.82 2.25 3.38 -1.08 -0.05 115.31 117.30 1r1s h LEU 74 Ca -0.03 0.00 0.27 0.00 0.09 0.00 0.00 57.88 58.22 1r1s h LEU 74 Cb 0.49 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1r1s h LEU 74 CO 0.05 0.29 0.82 0.24 0.09 0.00 0.00 178.44 179.92 1r1s h MET 75 N 0.00 0.00 -0.02 1.13 2.86 -0.53 -0.12 114.93 118.25 1r1s h MET 75 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1r1s h MET 75 Cb 1.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.83 1r1s h MET 75 CO 0.04 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.42 1r1s n GLY 76 N -1.68 -0.45 3.68 8.32 0.00 -0.03 -4.88 105.19 110.15 1r1s n GLY 76 Ca 0.20 -0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 1r1s n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r1s s LYS 77 N -1.99 2.07 0.61 1.61 1.02 -0.06 -5.13 119.74 117.87 1r1s s LYS 77 Ca 0.41 -2.14 -0.10 0.00 0.02 0.00 0.00 55.97 54.16 1r1s s LYS 77 Cb 0.21 -1.68 -0.02 0.00 -0.52 0.00 0.00 37.83 35.82 1r1s s LYS 77 CO 0.34 -0.16 0.99 -0.51 -0.92 0.00 0.00 175.35 175.09 1r1s s ASP 78 N -3.80 6.03 0.14 2.83 1.01 -1.26 -4.97 116.67 116.65 1r1s s ASP 78 Ca 0.28 1.22 -0.35 0.00 0.71 0.00 0.00 52.55 54.42 1r1s s ASP 78 Cb 0.07 -2.26 -0.16 0.00 1.01 0.00 0.00 42.92 41.57 1r1s s ASP 78 CO 0.15 -0.92 1.30 0.00 0.21 0.00 0.00 175.17 175.90 1r1s n ILE 79 N -2.70 0.41 0.00 0.77 3.06 -1.26 -2.09 119.36 117.55 1r1s n ILE 79 Ca 0.05 -0.10 0.00 0.00 -2.50 0.00 0.00 62.75 60.20 1r1s n ILE 79 Cb 0.55 -0.94 0.00 0.00 0.54 0.00 0.00 39.64 39.79 1r1s n ILE 79 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1r1s n GLY 80 N 2.38 3.31 3.62 4.50 0.00 -0.71 -4.82 105.19 113.48 1r1s n GLY 80 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1r1s n GLY 80 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1r1s n PHE 81 N -1.78 1.41 -3.77 1.61 3.01 -0.89 -1.05 117.46 116.00 1r1s n PHE 81 Ca 0.00 0.63 -0.10 0.00 1.01 0.00 0.00 57.45 58.99 1r1s n PHE 81 Cb 0.00 -2.27 -0.06 0.00 -0.01 0.00 0.00 39.48 37.14 1r1s n PHE 81 CO 0.00 0.00 0.00 -0.59 1.01 0.00 0.00 176.76 177.18 1r1s s PHE 82 N -1.14 0.02 0.05 1.38 -0.71 -1.26 0.21 117.98 116.53 1r1s s PHE 82 Ca 0.59 -0.38 0.02 0.00 -1.04 0.00 0.00 56.93 56.12 1r1s s PHE 82 Cb -0.63 0.13 -0.03 0.00 -1.21 0.00 0.00 43.02 41.29 1r1s s PHE 82 CO 0.59 -0.70 -0.08 0.96 -1.34 0.00 0.00 175.22 174.66 1r1s s ILE 83 N -3.86 0.57 -0.16 -4.49 -0.00 -0.37 -4.86 121.20 108.03 1r1s s ILE 83 Ca 0.07 -1.15 -0.07 0.00 -0.00 0.00 0.00 60.65 59.50 1r1s s ILE 83 Cb 0.02 -0.70 -0.04 0.00 -0.00 0.00 0.00 42.46 41.75 1r1s s ILE 83 CO -0.08 -0.41 0.09 -0.63 -0.00 0.00 0.00 174.94 173.90 1r1s s ILE 84 N -1.54 5.03 0.11 8.37 1.01 -0.49 -1.17 121.20 132.52 1r1s s ILE 84 Ca -0.08 0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.62 1r1s s ILE 84 Cb -0.09 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.11 1r1s s ILE 84 CO 0.00 0.52 -0.04 0.00 0.00 0.00 0.00 174.94 175.42 1r1s s ARG 85 N -0.17 0.86 0.33 2.79 1.70 -0.77 -1.06 118.95 122.63 1r1s s ARG 85 Ca 0.09 -1.36 -0.28 0.00 -0.47 0.00 0.00 55.73 53.70 1r1s s ARG 85 Cb -0.12 -0.12 -0.09 0.00 -0.57 0.00 0.00 34.95 34.04 1r1s s ARG 85 CO 0.01 -0.07 1.13 0.00 -1.08 0.00 0.00 175.30 175.29 1r1s s ALA 86 N -3.71 3.32 0.33 7.88 0.00 -0.74 -1.46 121.76 127.38 1r1s s ALA 86 Ca 0.14 0.93 -0.29 0.00 0.00 0.00 0.00 51.96 52.74 1r1s s ALA 86 Cb 0.06 -3.35 -0.11 0.00 0.00 0.00 0.00 23.12 19.73 1r1s s ALA 86 CO -0.03 -0.30 1.45 0.45 0.00 0.00 0.00 175.76 177.33 1r1s s SER 87 N -0.98 6.50 -0.12 0.00 0.15 0.83 -4.75 113.70 115.32 1r1s s SER 87 Ca 0.49 2.89 -0.07 0.00 0.70 0.00 0.00 55.95 59.96 1r1s s SER 87 Cb -0.31 -2.65 -0.26 0.00 -1.71 0.00 0.00 66.02 61.09 1r1s s SER 87 CO 0.40 -0.77 0.35 1.67 1.20 0.00 0.00 173.24 176.09 1r1s n GLN 88 N 1.12 0.75 0.18 5.44 7.27 -1.26 -4.31 117.38 126.57 1r1s n GLN 88 Ca 0.03 0.27 0.13 0.00 0.07 0.00 0.00 57.00 57.49 1r1s n GLN 88 Cb 0.40 -1.71 0.31 0.00 2.41 0.00 0.00 30.24 31.65 1r1s n GLN 88 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1r1s h SER 89 N 0.04 0.00 -3.12 1.69 4.64 -1.98 -3.38 113.55 111.44 1r1s h SER 89 Ca -0.43 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.30 1r1s h SER 89 Cb 2.01 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 63.71 1r1s h SER 89 CO 0.08 0.00 -0.78 -0.44 -0.87 0.00 0.00 176.83 174.82 1r1s s SER 90 N -5.43 3.52 0.23 4.97 0.01 -1.26 -5.10 113.70 110.64 1r1s s SER 90 Ca 0.08 -2.20 -0.32 0.00 1.31 0.00 0.00 55.95 54.82 1r1s s SER 90 Cb 0.08 -0.77 -0.12 0.00 0.21 0.00 0.00 66.02 65.42 1r1s s SER 90 CO 0.62 -0.32 1.62 -2.65 0.41 0.00 0.00 173.24 172.91 1r1s n PRO 91 N 4.08 2.54 0.00 12.44 -0.02 -1.26 -0.72 135.00 152.06 1r1s n PRO 91 Ca 0.06 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 1r1s n PRO 91 Cb 0.37 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.15 1r1s n PRO 91 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1r1s n GLY 92 N 3.06 0.63 3.93 -1.23 0.00 -1.26 -5.07 105.19 105.25 1r1s n GLY 92 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 1r1s n GLY 92 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1r1s s ASP 93 N -2.12 6.09 0.17 1.61 -0.00 0.10 -4.97 116.67 117.56 1r1s s ASP 93 Ca 0.00 0.57 0.08 0.00 -0.00 0.00 0.00 52.55 53.19 1r1s s ASP 93 Cb 0.00 -1.93 -0.04 0.00 -0.00 0.00 0.00 42.92 40.95 1r1s s ASP 93 CO 0.00 -0.56 -0.02 -0.36 -0.00 0.00 0.00 175.17 174.23 1r1s s PHE 94 N -2.57 2.80 -0.03 4.23 0.08 -1.26 -0.12 117.98 121.11 1r1s s PHE 94 Ca 0.46 -0.15 0.03 0.00 0.12 0.00 0.00 56.93 57.38 1r1s s PHE 94 Cb -0.10 -1.36 0.00 0.00 -0.57 0.00 0.00 43.02 40.99 1r1s s PHE 94 CO 0.40 0.51 -0.10 -1.12 -0.10 0.00 0.00 175.22 174.82 1r1s s SER 95 N -2.90 1.31 -0.14 1.36 0.01 -0.54 -1.08 113.70 111.73 1r1s s SER 95 Ca 0.27 -0.21 -0.03 0.00 1.31 0.00 0.00 55.95 57.29 1r1s s SER 95 Cb -0.09 -0.36 -0.03 0.00 0.21 0.00 0.00 66.02 65.75 1r1s s SER 95 CO 0.18 0.07 -0.03 -0.63 0.41 0.00 0.00 173.24 173.24 1r1s s ILE 96 N 0.20 3.95 -0.08 1.44 1.01 -0.14 -1.86 121.20 125.73 1r1s s ILE 96 Ca -0.04 -0.35 0.04 0.00 0.00 0.00 0.00 60.65 60.31 1r1s s ILE 96 Cb -0.09 -2.71 -0.01 0.00 0.01 0.00 0.00 42.46 39.65 1r1s s ILE 96 CO 0.01 0.51 -0.22 -0.44 0.00 0.00 0.00 174.94 174.80 1r1s s SER 97 N 0.11 3.34 -0.05 3.58 0.01 -0.32 -0.40 113.70 119.98 1r1s s SER 97 Ca -0.01 -0.45 0.01 0.00 1.31 0.00 0.00 55.95 56.81 1r1s s SER 97 Cb -0.13 -1.06 0.02 0.00 0.21 0.00 0.00 66.02 65.05 1r1s s SER 97 CO 0.03 0.23 -0.06 -0.69 0.41 0.00 0.00 173.24 173.15 1r1s s VAL 98 N -0.06 0.67 0.12 3.43 1.01 0.11 -1.23 120.40 124.44 1r1s s VAL 98 Ca -0.06 -0.20 -0.31 0.00 0.00 0.00 0.00 61.98 61.42 1r1s s VAL 98 Cb -0.14 -0.67 -0.09 0.00 0.00 0.00 0.00 36.38 35.48 1r1s s VAL 98 CO 0.05 0.26 1.52 -0.60 0.00 0.00 0.00 175.10 176.32 1r1s s ARG 99 N 0.89 4.25 0.12 2.72 6.06 0.13 -2.02 118.95 131.11 1r1s s ARG 99 Ca -0.11 2.24 0.00 0.00 -2.50 0.00 0.00 55.73 55.36 1r1s s ARG 99 Cb -0.15 -3.31 0.00 0.00 0.06 0.00 0.00 34.95 31.56 1r1s s ARG 99 CO 0.01 -0.58 0.03 0.72 -2.50 0.00 0.00 175.30 172.98 1r1s n HIS 100 N 4.42 -0.22 0.04 5.12 8.25 0.35 -1.73 115.22 131.45 1r1s n HIS 100 Ca 0.14 -0.58 -0.12 0.00 -0.26 0.00 0.00 57.72 56.89 1r1s n HIS 100 Cb 0.40 -0.09 -0.08 0.00 1.12 0.00 0.00 29.99 31.35 1r1s n HIS 100 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1r1s h GLU 101 N 0.00 -0.50 -0.02 -0.41 5.08 -1.97 -3.30 114.58 113.46 1r1s h GLU 101 Ca -0.10 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1r1s h GLU 101 Cb 0.30 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1r1s h GLU 101 CO 0.16 -0.33 0.00 -0.25 -1.00 0.00 0.00 179.01 177.58 1r1s n ASP 102 N -4.82 1.70 -3.46 1.42 8.00 -1.26 -4.96 116.55 113.17 1r1s n ASP 102 Ca -0.06 -1.63 -0.10 0.00 0.71 0.00 0.00 54.79 53.71 1r1s n ASP 102 Cb 0.31 -0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.38 1r1s n ASP 102 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1r1s s ASP 103 N -0.65 0.12 -0.12 -2.24 3.68 -1.24 -5.15 116.67 111.07 1r1s s ASP 103 Ca 0.02 -1.05 0.03 0.00 2.13 0.00 0.00 52.55 53.67 1r1s s ASP 103 Cb 0.01 0.72 0.01 0.00 -1.45 0.00 0.00 42.92 42.21 1r1s s ASP 103 CO 0.01 -1.40 -0.21 -0.69 0.13 0.00 0.00 175.17 173.02 1r1s s VAL 104 N -3.24 1.89 0.27 1.11 1.01 -1.26 -0.49 120.40 119.69 1r1s s VAL 104 Ca 0.20 -0.89 0.10 0.00 0.00 0.00 0.00 61.98 61.39 1r1s s VAL 104 Cb -0.03 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 1r1s s VAL 104 CO 0.12 0.52 -0.06 -1.10 0.00 0.00 0.00 175.10 174.58 1r1s s GLN 105 N 0.72 2.12 -0.03 2.72 -1.52 -0.86 -4.91 119.66 117.91 1r1s s GLN 105 Ca -0.11 -1.51 0.05 0.00 -1.95 0.00 0.00 55.36 51.85 1r1s s GLN 105 Cb -0.16 -2.05 -0.01 0.00 -0.22 0.00 0.00 33.01 30.57 1r1s s GLN 105 CO 0.01 0.36 -0.18 -1.01 -0.25 0.00 0.00 175.29 174.22 1r1s s HIS 106 N -2.35 1.69 -0.10 0.91 3.76 -1.26 0.08 115.29 118.02 1r1s s HIS 106 Ca 0.31 -0.39 0.02 0.00 -0.15 0.00 0.00 55.06 54.85 1r1s s HIS 106 Cb -0.06 -1.11 0.01 0.00 1.11 0.00 0.00 32.58 32.53 1r1s s HIS 106 CO 0.18 -0.08 -0.15 -0.06 -0.85 0.00 0.00 174.74 173.78 1r1s s PHE 107 N -0.26 1.88 0.11 1.40 0.40 0.47 -4.98 117.98 117.00 1r1s s PHE 107 Ca 0.03 -0.83 -0.30 0.00 -0.60 0.00 0.00 56.93 55.22 1r1s s PHE 107 Cb -0.09 -1.36 -0.06 0.00 0.51 0.00 0.00 43.02 42.03 1r1s s PHE 107 CO 0.00 -0.42 1.06 0.21 0.70 0.00 0.00 175.22 176.77 1r1s s LYS 108 N 0.88 4.59 -0.44 0.44 2.20 -1.26 -0.96 119.74 125.19 1r1s s LYS 108 Ca -0.09 1.60 -0.21 0.00 -0.36 0.00 0.00 55.97 56.91 1r1s s LYS 108 Cb -0.15 -3.35 0.02 0.00 -1.51 0.00 0.00 37.83 32.84 1r1s s LYS 108 CO 0.00 0.04 0.65 0.08 -0.36 0.00 0.00 175.35 175.76 1r1s s VAL 109 N 0.23 4.83 0.41 4.02 1.01 -0.24 -4.73 120.40 125.94 1r1s s VAL 109 Ca 0.51 0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.60 1r1s s VAL 109 Cb -0.26 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 31.89 1r1s s VAL 109 CO 0.31 -0.59 0.65 -0.04 0.00 0.00 0.00 175.10 175.43 1r1s s MET 110 N 2.83 3.37 0.03 2.72 1.00 -0.59 -4.58 119.30 124.09 1r1s s MET 110 Ca 0.23 -0.23 -0.14 0.00 0.00 0.00 0.00 55.69 55.54 1r1s s MET 110 Cb -0.14 -2.55 0.02 0.00 0.00 0.00 0.00 34.83 32.16 1r1s s MET 110 CO 0.19 -0.07 0.31 1.03 0.00 0.00 0.00 175.02 176.48 1r1s s ARG 111 N -4.50 0.78 0.30 2.03 1.81 -1.26 -1.75 118.95 116.36 1r1s s ARG 111 Ca 0.44 -0.41 0.08 0.00 -1.72 0.00 0.00 55.73 54.13 1r1s s ARG 111 Cb -0.10 0.34 -0.06 0.00 -0.45 0.00 0.00 34.95 34.68 1r1s s ARG 111 CO 0.39 -0.24 -0.09 0.16 -0.68 0.00 0.00 175.30 174.83 1r1s s ASP 112 N -1.86 3.22 0.51 0.23 3.84 -1.16 -4.98 116.67 116.46 1r1s s ASP 112 Ca -0.07 -1.17 0.15 0.00 -0.00 0.00 0.00 52.55 51.46 1r1s s ASP 112 Cb -0.02 -0.25 1.22 0.00 -1.38 0.00 0.00 42.92 42.49 1r1s s ASP 112 CO -0.01 -0.24 2.14 0.74 -0.00 0.00 0.00 175.17 177.80 1r1s h THR 113 N 2.19 1.01 0.00 2.11 2.02 -2.02 0.72 112.91 118.94 1r1s h THR 113 Ca -0.41 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 66.75 1r1s h THR 113 Cb 1.24 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 1r1s h THR 113 CO 0.67 0.01 0.00 0.11 0.37 0.00 0.00 175.52 176.69 1r1s h LYS 114 N 0.07 0.00 0.00 6.66 1.57 -2.05 -3.46 116.57 119.36 1r1s h LYS 114 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1r1s h LYS 114 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1r1s h LYS 114 CO -0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 1r1s n GLY 115 N -0.43 0.80 3.56 3.86 0.00 0.25 -5.06 105.19 108.17 1r1s n GLY 115 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1r1s n GLY 115 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1r1s n ASN 116 N 0.00 0.02 -4.67 1.61 3.02 -1.26 -4.77 115.26 109.20 1r1s n ASN 116 Ca 0.00 0.77 -0.35 0.00 -0.03 0.00 0.00 54.58 54.97 1r1s n ASN 116 Cb 0.00 -1.30 -0.09 0.00 -0.61 0.00 0.00 39.78 37.78 1r1s n ASN 116 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1r1s s TYR 117 N -1.60 3.32 0.08 3.10 2.02 0.12 -3.00 117.35 121.39 1r1s s TYR 117 Ca 0.73 0.19 -0.06 0.00 -0.37 0.00 0.00 57.07 57.56 1r1s s TYR 117 Cb -0.43 -2.14 -0.02 0.00 -0.40 0.00 0.00 41.96 38.98 1r1s s TYR 117 CO 0.50 0.19 0.12 -0.59 -1.57 0.00 0.00 175.55 174.19 1r1s s PHE 118 N 0.48 0.31 -0.16 2.71 -0.71 -0.72 -1.23 117.98 118.66 1r1s s PHE 118 Ca 0.06 -0.77 0.09 0.00 -1.04 0.00 0.00 56.93 55.27 1r1s s PHE 118 Cb -0.12 -0.18 -0.16 0.00 -1.21 0.00 0.00 43.02 41.35 1r1s s PHE 118 CO -0.00 -0.50 -0.02 1.28 -1.34 0.00 0.00 175.22 174.64 1r1s n LEU 119 N -0.01 0.95 0.00 -1.99 4.77 -1.26 -1.53 117.00 117.93 1r1s n LEU 119 Ca -0.14 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1r1s n LEU 119 Cb 0.62 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 1r1s n LEU 119 CO 0.25 0.50 0.00 0.79 -1.33 0.00 0.00 177.39 177.60 1r1s n TRP 120 N -2.70 0.00 -0.01 -1.77 7.02 -1.26 -4.90 117.44 113.83 1r1s n TRP 120 Ca -0.26 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.18 1r1s n TRP 120 Cb 0.93 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.81 1r1s n TRP 120 CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 1r1s n THR 121 N 0.00 1.33 -1.69 -0.99 -1.04 -1.26 -5.02 114.28 105.61 1r1s n THR 121 Ca 0.00 0.29 -0.44 0.00 -2.04 0.00 0.00 64.05 61.86 1r1s n THR 121 Cb 0.00 -1.89 -0.04 0.00 -1.82 0.00 0.00 70.33 66.58 1r1s n THR 121 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1r1s n GLU 122 N -3.88 2.40 -4.08 -2.82 4.07 -1.26 -5.01 120.64 110.06 1r1s n GLU 122 Ca -0.06 0.87 -0.29 0.00 -0.06 0.00 0.00 57.16 57.61 1r1s n GLU 122 Cb 0.22 -2.67 -0.07 0.00 -0.06 0.00 0.00 31.44 28.87 1r1s n GLU 122 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1r1s s LYS 123 N 1.03 2.80 0.01 5.31 1.02 -1.26 -4.35 119.74 124.31 1r1s s LYS 123 Ca 0.77 -0.78 0.00 0.00 0.02 0.00 0.00 55.97 55.99 1r1s s LYS 123 Cb -0.61 -2.66 -0.01 0.00 -0.52 0.00 0.00 37.83 34.03 1r1s s LYS 123 CO 0.36 0.54 -0.02 -0.06 -0.92 0.00 0.00 175.35 175.24 1r1s s PHE 124 N -1.48 0.21 -0.87 3.18 0.08 -0.37 -4.96 117.98 113.78 1r1s s PHE 124 Ca 0.29 -0.32 0.24 0.00 0.12 0.00 0.00 56.93 57.27 1r1s s PHE 124 Cb -0.11 -0.14 0.96 0.00 -0.57 0.00 0.00 43.02 43.16 1r1s s PHE 124 CO 0.22 -0.10 1.76 -0.35 -0.10 0.00 0.00 175.22 176.64 1r1s n PRO 125 N 2.19 0.09 -4.06 0.24 -0.04 -1.26 0.15 135.00 132.31 1r1s n PRO 125 Ca -0.19 0.16 -0.08 0.00 -0.04 0.00 0.00 63.50 63.35 1r1s n PRO 125 Cb 0.57 -1.62 -0.09 0.00 -0.04 0.00 0.00 33.50 32.31 1r1s n PRO 125 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1r1s s SER 126 N -3.53 0.35 0.21 3.54 1.04 -1.26 -4.77 113.70 109.28 1r1s s SER 126 Ca 0.10 -0.99 -0.09 0.00 0.48 0.00 0.00 55.95 55.45 1r1s s SER 126 Cb 0.14 0.26 0.15 0.00 0.10 0.00 0.00 66.02 66.68 1r1s s SER 126 CO 0.47 -0.67 1.80 0.25 0.98 0.00 0.00 173.24 176.06 1r1s h LEU 127 N 2.97 1.03 -1.05 2.42 6.46 -1.96 -1.82 115.31 123.37 1r1s h LEU 127 Ca -0.34 -0.14 0.03 0.00 -0.12 0.00 0.00 57.88 57.31 1r1s h LEU 127 Cb 1.17 -0.27 -0.05 0.00 -0.73 0.00 0.00 40.66 40.78 1r1s h LEU 127 CO 0.61 0.88 0.64 0.78 -0.62 0.00 0.00 178.44 180.74 1r1s h ASN 128 N 1.11 1.08 0.74 1.25 4.21 -2.00 -0.15 115.58 121.82 1r1s h ASN 128 Ca 0.27 -0.02 -0.21 0.00 1.21 0.00 0.00 56.30 57.55 1r1s h ASN 128 Cb 0.13 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 37.06 1r1s h ASN 128 CO -0.03 0.76 -0.96 0.11 -1.29 0.00 0.00 177.43 176.01 1r1s h LYS 129 N 1.26 0.12 0.22 0.81 1.57 -1.95 -2.01 116.57 116.60 1r1s h LYS 129 Ca 0.38 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 59.00 1r1s h LYS 129 Cb -0.05 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 1r1s h LYS 129 CO -0.11 0.99 -0.40 1.25 -0.57 0.00 0.00 179.45 180.61 1r1s h LEU 130 N 0.06 -1.16 -0.55 2.94 6.46 -1.11 -1.56 115.31 120.39 1r1s h LEU 130 Ca -0.04 0.12 0.09 0.00 -0.12 0.00 0.00 57.88 57.92 1r1s h LEU 130 Cb 1.65 0.42 -0.11 0.00 -0.73 0.00 0.00 40.66 41.89 1r1s h LEU 130 CO 0.14 -0.50 -0.39 0.58 -0.62 0.00 0.00 178.44 177.65 1r1s h VAL 131 N -0.70 0.13 -0.20 1.05 2.07 -0.92 -2.74 116.25 114.94 1r1s h VAL 131 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 1r1s h VAL 131 Cb 0.69 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1r1s h VAL 131 CO -0.18 0.00 -0.03 0.44 0.02 0.00 0.00 177.57 177.82 1r1s h ASP 132 N -0.22 0.28 -0.25 0.57 3.45 -1.34 -2.28 116.42 116.63 1r1s h ASP 132 Ca 0.19 -0.04 -0.08 0.00 0.43 0.00 0.00 57.03 57.53 1r1s h ASP 132 Cb 0.56 -0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 39.24 1r1s h ASP 132 CO -0.66 0.36 -0.10 0.22 -1.57 0.00 0.00 179.24 177.49 1r1s h TYR 133 N 0.29 0.69 -0.17 4.55 5.03 -0.99 -2.37 116.97 124.01 1r1s h TYR 133 Ca 0.07 -0.11 0.00 0.00 2.58 0.00 0.00 58.73 61.26 1r1s h TYR 133 Cb 0.26 -0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.35 1r1s h TYR 133 CO 0.01 0.72 0.00 0.66 -1.32 0.00 0.00 178.16 178.23 1r1s n TYR 134 N -4.19 0.23 0.16 -3.82 4.02 -0.92 -2.10 117.16 110.54 1r1s n TYR 134 Ca 0.01 -0.11 0.02 0.00 -0.01 0.00 0.00 57.90 57.81 1r1s n TYR 134 Cb 0.34 0.00 0.25 0.00 -0.02 0.00 0.00 39.34 39.90 1r1s n TYR 134 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1r1s h ARG 135 N 1.17 0.00 0.00 -0.72 3.08 -0.88 0.29 114.38 117.32 1r1s h ARG 135 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1r1s h ARG 135 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1r1s h ARG 135 CO 0.00 0.50 0.00 0.25 -1.07 0.00 0.00 179.97 179.65 1r1s n THR 136 N -3.65 0.00 -5.14 2.04 -2.24 -0.98 -4.45 114.28 99.86 1r1s n THR 136 Ca -0.01 -0.38 -0.32 0.00 -2.27 0.00 0.00 64.05 61.08 1r1s n THR 136 Cb 0.57 1.14 -0.15 0.00 -2.10 0.00 0.00 70.33 69.79 1r1s n THR 136 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1r1s s THR 137 N -0.32 2.42 0.24 4.28 2.01 -0.89 -5.09 115.64 118.28 1r1s s THR 137 Ca 0.00 -0.96 -0.31 0.00 0.31 0.00 0.00 61.69 60.73 1r1s s THR 137 Cb 0.00 -1.89 -0.12 0.00 0.01 0.00 0.00 72.50 70.50 1r1s s THR 137 CO 0.00 0.58 1.66 -0.24 -0.69 0.00 0.00 174.62 175.93 1r1s n SER 138 N 2.58 3.88 0.10 3.53 2.88 -1.26 -4.28 113.62 121.05 1r1s n SER 138 Ca -0.17 1.10 -0.05 0.00 -1.33 0.00 0.00 58.87 58.42 1r1s n SER 138 Cb 0.52 -1.57 0.06 0.00 -0.75 0.00 0.00 64.21 62.46 1r1s n SER 138 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 1r1s h ILE 139 N 3.60 1.50 -3.33 2.46 2.10 -0.08 -3.44 117.51 120.33 1r1s h ILE 139 Ca -0.45 -2.48 -0.67 0.00 1.08 0.00 0.00 64.86 62.34 1r1s h ILE 139 Cb 1.21 2.34 -0.14 0.00 -1.09 0.00 0.00 36.82 39.15 1r1s h ILE 139 CO 0.89 0.72 -0.63 -0.55 -1.08 0.00 0.00 178.15 177.49 1r1s s SER 140 N -6.85 5.21 0.02 2.19 0.15 -1.25 -4.99 113.70 108.19 1r1s s SER 140 Ca -0.02 0.08 0.26 0.00 0.70 0.00 0.00 55.95 56.97 1r1s s SER 140 Cb 0.11 -1.42 0.60 0.00 -1.71 0.00 0.00 66.02 63.60 1r1s s SER 140 CO 0.80 0.33 1.49 0.29 1.20 0.00 0.00 173.24 177.34 1r1s n LYS 141 N 1.74 0.06 -0.12 5.44 4.76 -1.26 -4.27 118.16 124.51 1r1s n LYS 141 Ca -0.16 0.02 -0.19 0.00 -2.87 0.00 0.00 58.31 55.11 1r1s n LYS 141 Cb 0.53 -1.54 -0.10 0.00 -1.84 0.00 0.00 35.03 32.08 1r1s n LYS 141 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1r1s n GLN 142 N -1.62 0.56 -4.36 1.97 6.02 -1.26 -4.98 117.38 113.71 1r1s n GLN 142 Ca 0.05 0.16 -0.19 0.00 -0.01 0.00 0.00 57.00 57.01 1r1s n GLN 142 Cb 0.36 -1.43 -0.10 0.00 1.02 0.00 0.00 30.24 30.08 1r1s n GLN 142 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1r1s s LYS 143 N -2.46 1.37 -0.73 -1.09 3.01 -1.26 -5.07 119.74 113.50 1r1s s LYS 143 Ca -0.32 -1.62 -0.25 0.00 -1.01 0.00 0.00 55.97 52.78 1r1s s LYS 143 Cb 0.09 -1.15 0.05 0.00 -1.01 0.00 0.00 37.83 35.81 1r1s s LYS 143 CO 0.50 0.18 1.17 -1.14 0.51 0.00 0.00 175.35 176.57 1r1s s GLN 144 N -3.65 3.20 -0.07 1.68 2.00 -1.26 -4.23 119.66 117.33 1r1s s GLN 144 Ca 0.24 -0.56 0.04 0.00 -2.00 0.00 0.00 55.36 53.08 1r1s s GLN 144 Cb -0.00 -4.29 -0.00 0.00 0.80 0.00 0.00 33.01 29.51 1r1s s GLN 144 CO 0.08 -2.02 -0.21 0.08 -0.50 0.00 0.00 175.29 172.72 1r1s s VAL 145 N 5.00 1.75 -0.05 1.34 1.01 -1.26 -5.03 120.40 123.14 1r1s s VAL 145 Ca 0.31 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.48 1r1s s VAL 145 Cb -0.11 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 1r1s s VAL 145 CO 0.11 0.49 -0.23 -0.36 0.00 0.00 0.00 175.10 175.12 1r1s s PHE 146 N 0.21 2.21 0.35 5.22 0.08 -1.26 0.60 117.98 125.39 1r1s s PHE 146 Ca -0.11 -0.66 -0.27 0.00 0.12 0.00 0.00 56.93 56.01 1r1s s PHE 146 Cb -0.15 -1.46 -0.09 0.00 -0.57 0.00 0.00 43.02 40.74 1r1s s PHE 146 CO 0.05 -0.21 1.11 -0.51 -0.10 0.00 0.00 175.22 175.57 1r1s s LEU 147 N -0.09 4.34 0.02 -0.37 1.43 0.10 -4.39 118.68 119.73 1r1s s LEU 147 Ca -0.04 2.25 0.01 0.00 -1.03 0.00 0.00 54.13 55.32 1r1s s LEU 147 Cb -0.13 -3.88 -0.01 0.00 0.03 0.00 0.00 46.19 42.20 1r1s s LEU 147 CO 0.03 -0.39 -0.05 -0.13 0.23 0.00 0.00 176.35 176.04 1r1s s ARG 148 N -1.96 0.40 0.00 1.70 0.52 -0.21 -4.48 118.95 114.91 1r1s s ARG 148 Ca 0.51 -0.47 0.00 0.00 -0.52 0.00 0.00 55.73 55.25 1r1s s ARG 148 Cb -0.29 -0.22 0.00 0.00 0.52 0.00 0.00 34.95 34.95 1r1s s ARG 148 CO 0.37 0.05 0.20 -0.40 0.02 0.00 0.00 175.30 175.54