#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x0n s PHE 61 N 0.00 3.75 -0.02 -2.67 5.36 -1.26 -1.84 117.98 121.29 1x0n s PHE 61 Ca 0.00 1.12 0.03 0.00 -0.96 0.00 0.00 56.93 57.12 1x0n s PHE 61 Cb 0.00 -2.39 -0.00 0.00 -0.34 0.00 0.00 43.02 40.29 1x0n s PHE 61 CO 0.00 0.59 -0.11 -0.06 -1.46 0.00 0.00 175.22 174.19 1x0n s PHE 62 N -1.14 1.08 0.00 10.12 0.40 0.46 -4.95 117.98 123.95 1x0n s PHE 62 Ca 0.28 -0.26 0.00 0.00 -0.60 0.00 0.00 56.93 56.35 1x0n s PHE 62 Cb -0.18 -0.74 0.00 0.00 0.51 0.00 0.00 43.02 42.61 1x0n s PHE 62 CO 0.17 -0.09 0.00 0.41 0.70 0.00 0.00 175.22 176.41 1x0n n GLY 63 N 3.16 -1.86 3.54 4.36 0.00 -1.26 -2.80 105.19 110.33 1x0n n GLY 63 Ca -0.17 -1.13 -0.21 0.00 0.00 0.00 0.00 46.02 44.51 1x0n n GLY 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x0n n LYS 64 N 0.00 0.51 -4.07 1.61 4.01 -1.26 -4.12 118.16 114.84 1x0n n LYS 64 Ca 0.00 -0.47 -0.18 0.00 -0.51 0.00 0.00 58.31 57.14 1x0n n LYS 64 Cb 0.00 -3.01 -0.16 0.00 -0.51 0.00 0.00 35.03 31.35 1x0n n LYS 64 CO 0.00 0.00 0.00 0.96 -1.11 0.00 0.00 177.40 177.25 1x0n s ILE 65 N 11.25 0.38 0.65 -0.18 -5.25 -1.26 -5.10 121.20 121.68 1x0n s ILE 65 Ca 1.04 -0.04 -0.15 0.00 -0.99 0.00 0.00 60.65 60.51 1x0n s ILE 65 Cb -0.35 -0.43 -0.01 0.00 2.95 0.00 0.00 42.46 44.63 1x0n s ILE 65 CO 0.23 0.19 1.11 -2.16 -1.79 0.00 0.00 174.94 172.52 1x0n s PRO 66 N 0.90 2.85 0.40 0.37 0.04 -1.26 -4.84 135.00 133.46 1x0n s PRO 66 Ca -0.11 1.41 0.22 0.00 0.04 0.00 0.00 61.00 62.56 1x0n s PRO 66 Cb -0.14 -1.95 1.22 0.00 0.04 0.00 0.00 34.50 33.66 1x0n s PRO 66 CO -0.01 -1.22 1.70 0.07 0.04 0.00 0.00 177.00 177.58 1x0n h ARG 67 N 0.13 0.26 0.34 4.56 0.11 -2.01 0.67 114.38 118.45 1x0n h ARG 67 Ca -0.47 -0.02 -0.02 0.00 0.10 0.00 0.00 59.98 59.58 1x0n h ARG 67 Cb 1.25 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 32.27 1x0n h ARG 67 CO 0.54 0.17 -0.16 0.00 0.10 0.00 0.00 179.97 180.62 1x0n h ALA 68 N 1.66 -0.46 -0.80 0.08 0.00 -2.00 -2.65 119.26 115.09 1x0n h ALA 68 Ca 0.70 -0.14 0.19 0.00 0.00 0.00 0.00 54.91 55.67 1x0n h ALA 68 Cb 1.93 0.18 -0.12 0.00 0.00 0.00 0.00 17.79 19.77 1x0n h ALA 68 CO -0.40 -0.69 0.20 -0.22 0.00 0.00 0.00 179.25 178.14 1x0n h LYS 69 N -0.58 0.24 -0.17 0.00 1.63 -1.22 -0.06 116.57 116.41 1x0n h LYS 69 Ca -0.05 -0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.76 1x0n h LYS 69 Cb 0.43 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.98 1x0n h LYS 69 CO 0.08 0.16 0.03 0.00 -3.45 0.00 0.00 179.45 176.27 1x0n h ALA 70 N 1.68 0.17 -0.85 5.00 0.00 -1.33 -1.70 119.26 122.23 1x0n h ALA 70 Ca 0.47 0.03 0.19 0.00 0.00 0.00 0.00 54.91 55.61 1x0n h ALA 70 Cb 0.87 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 1x0n h ALA 70 CO -0.57 -0.41 0.57 0.93 0.00 0.00 0.00 179.25 179.77 1x0n h GLU 71 N 0.10 0.37 -0.08 0.00 5.08 -0.66 0.17 114.58 119.57 1x0n h GLU 71 Ca 0.08 -0.02 -0.17 0.00 -1.00 0.00 0.00 59.36 58.24 1x0n h GLU 71 Cb 0.07 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1x0n h GLU 71 CO -0.11 0.24 -0.70 0.93 -1.00 0.00 0.00 179.01 178.38 1x0n h GLU 72 N 0.38 0.35 -0.02 2.33 4.39 -0.82 0.94 114.58 122.13 1x0n h GLU 72 Ca 0.44 -0.28 -0.11 0.00 0.34 0.00 0.00 59.36 59.75 1x0n h GLU 72 Cb 1.11 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.80 1x0n h GLU 72 CO -0.15 0.92 -0.50 0.52 -1.16 0.00 0.00 179.01 178.64 1x0n h MET 73 N 0.25 0.05 0.16 2.33 2.86 -0.01 -2.03 114.93 118.53 1x0n h MET 73 Ca -0.02 -0.03 -0.35 0.00 -2.06 0.00 0.00 59.70 57.24 1x0n h MET 73 Cb 1.26 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.92 1x0n h MET 73 CO 0.12 0.54 -1.81 -0.07 1.06 0.00 0.00 176.91 176.75 1x0n h LEU 74 N 0.04 0.52 -0.01 1.22 3.38 -1.16 -3.35 115.31 115.95 1x0n h LEU 74 Ca -0.00 -0.93 -0.00 0.00 0.09 0.00 0.00 57.88 57.03 1x0n h LEU 74 Cb 0.89 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 1x0n h LEU 74 CO 0.07 1.80 0.01 -1.28 0.09 0.00 0.00 178.44 179.12 1x0n h SER 75 N 0.04 0.01 -1.03 -0.43 0.87 -0.82 -2.18 113.55 110.02 1x0n h SER 75 Ca -0.37 -0.04 0.29 0.00 -1.23 0.00 0.00 61.79 60.44 1x0n h SER 75 Cb 2.04 -0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.94 1x0n h SER 75 CO 0.13 0.05 0.73 0.07 -0.53 0.00 0.00 176.83 177.28 1x0n h LYS 76 N -0.02 0.07 -7.05 2.24 2.10 -1.54 -3.41 116.57 108.96 1x0n h LYS 76 Ca 0.00 -0.00 -0.41 0.00 -2.00 0.00 0.00 60.65 58.24 1x0n h LYS 76 Cb 0.04 -0.02 0.22 0.00 -0.90 0.00 0.00 32.23 31.57 1x0n h LYS 76 CO -0.00 0.05 -0.10 1.04 -2.00 0.00 0.00 179.45 178.43 1x0n n GLN 77 N -4.29 -3.25 -0.01 0.07 1.13 -0.82 -4.99 117.38 105.22 1x0n n GLN 77 Ca 0.22 -0.93 -0.01 0.00 -1.94 0.00 0.00 57.00 54.34 1x0n n GLN 77 Cb 1.05 -2.07 -0.02 0.00 0.11 0.00 0.00 30.24 29.31 1x0n n GLN 77 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1x0n n ARG 78 N -5.16 3.08 -1.10 -1.09 5.12 -1.26 -5.05 116.66 111.19 1x0n n ARG 78 Ca 0.05 -0.00 -0.28 0.00 -1.93 0.00 0.00 57.85 55.68 1x0n n ARG 78 Cb 0.56 -1.06 0.23 0.00 -1.16 0.00 0.00 32.46 31.03 1x0n n ARG 78 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1x0n n HIS 79 N -2.01 -3.87 -4.03 -1.55 8.25 -1.26 -5.05 115.22 105.70 1x0n n HIS 79 Ca -0.03 -0.96 -0.31 0.00 -0.26 0.00 0.00 57.72 56.15 1x0n n HIS 79 Cb 0.49 -1.06 -0.15 0.00 1.12 0.00 0.00 29.99 30.39 1x0n n HIS 79 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1x0n s ASP 80 N -4.49 3.90 0.00 0.41 1.01 -1.26 -4.68 116.67 111.56 1x0n s ASP 80 Ca 0.68 -1.13 0.00 0.00 0.71 0.00 0.00 52.55 52.80 1x0n s ASP 80 Cb -0.06 -1.38 0.00 0.00 1.01 0.00 0.00 42.92 42.49 1x0n s ASP 80 CO 0.51 -0.17 0.00 0.61 0.21 0.00 0.00 175.17 176.34 1x0n n GLY 81 N 4.57 1.93 3.73 0.21 0.00 -1.25 -4.64 105.19 109.73 1x0n n GLY 81 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 1x0n n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x0n s ALA 82 N -2.00 3.85 0.14 4.61 0.00 -1.26 -0.49 121.76 126.61 1x0n s ALA 82 Ca 0.00 1.54 0.11 0.00 0.00 0.00 0.00 51.96 53.61 1x0n s ALA 82 Cb 0.00 -3.67 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 1x0n s ALA 82 CO 0.00 -0.91 -0.25 -0.59 0.00 0.00 0.00 175.76 174.01 1x0n s PHE 83 N 0.79 2.35 -0.20 0.00 -0.12 -1.06 -2.02 117.98 117.71 1x0n s PHE 83 Ca 0.70 -0.35 -0.05 0.00 -0.05 0.00 0.00 56.93 57.17 1x0n s PHE 83 Cb -0.48 -1.25 0.10 0.00 -0.63 0.00 0.00 43.02 40.76 1x0n s PHE 83 CO 0.37 0.37 0.38 -1.17 -0.05 0.00 0.00 175.22 175.12 1x0n s LEU 84 N -2.17 -0.59 -0.10 -1.99 0.20 0.02 -4.05 118.68 109.99 1x0n s LEU 84 Ca 0.16 0.69 -0.18 0.00 0.69 0.00 0.00 54.13 55.49 1x0n s LEU 84 Cb -0.10 1.18 -0.04 0.00 -0.43 0.00 0.00 46.19 46.80 1x0n s LEU 84 CO 0.07 -0.25 0.49 -0.63 -0.29 0.00 0.00 176.35 175.74 1x0n s ILE 85 N 2.56 5.16 0.15 6.68 1.01 -0.77 -0.51 121.20 135.48 1x0n s ILE 85 Ca 0.03 0.99 0.10 0.00 0.00 0.00 0.00 60.65 61.78 1x0n s ILE 85 Cb -0.13 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 1x0n s ILE 85 CO -0.13 0.34 -0.24 0.00 0.00 0.00 0.00 174.94 174.91 1x0n s ARG 86 N 0.51 1.37 0.12 2.79 1.70 -0.09 -0.40 118.95 124.96 1x0n s ARG 86 Ca 0.27 -1.37 0.06 0.00 -0.47 0.00 0.00 55.73 54.21 1x0n s ARG 86 Cb -0.15 -1.73 -0.04 0.00 -0.57 0.00 0.00 34.95 32.45 1x0n s ARG 86 CO 0.11 0.39 -0.01 -2.00 -1.08 0.00 0.00 175.30 172.72 1x0n s GLU 87 N -2.28 2.46 1.23 3.89 2.12 -1.12 -1.97 118.70 123.03 1x0n s GLU 87 Ca 0.15 -0.95 -0.19 0.00 0.36 0.00 0.00 54.97 54.34 1x0n s GLU 87 Cb -0.09 -2.46 0.30 0.00 0.26 0.00 0.00 34.13 32.14 1x0n s GLU 87 CO 0.07 0.51 1.05 -1.12 -0.54 0.00 0.00 175.26 175.23 1x0n s SER 88 N -2.54 0.60 -0.22 -1.70 0.01 -1.25 -4.30 113.70 104.31 1x0n s SER 88 Ca 0.26 0.84 0.04 0.00 1.31 0.00 0.00 55.95 58.40 1x0n s SER 88 Cb -0.11 -1.23 -0.20 0.00 0.21 0.00 0.00 66.02 64.69 1x0n s SER 88 CO 0.18 -4.34 -0.04 -1.84 0.41 0.00 0.00 173.24 167.60 1x0n n GLU 89 N -4.94 0.67 0.00 12.44 0.28 -1.26 -4.56 120.64 123.28 1x0n n GLU 89 Ca 0.11 0.14 0.01 0.00 -0.16 0.00 0.00 57.16 57.26 1x0n n GLU 89 Cb 0.59 -1.56 0.01 0.00 1.43 0.00 0.00 31.44 31.90 1x0n n GLU 89 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1x0n n SER 90 N -3.18 1.01 -4.16 -1.84 7.64 -1.26 -4.87 113.62 106.96 1x0n n SER 90 Ca -0.40 -1.00 -0.39 0.00 1.01 0.00 0.00 58.87 58.09 1x0n n SER 90 Cb 1.03 0.18 -0.06 0.00 -1.01 0.00 0.00 64.21 64.35 1x0n n SER 90 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x0n s ALA 91 N -0.38 4.01 -0.13 -0.43 0.00 -1.26 -5.05 121.76 118.51 1x0n s ALA 91 Ca 0.02 -3.54 -0.29 0.00 0.00 0.00 0.00 51.96 48.16 1x0n s ALA 91 Cb 0.02 -2.95 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 1x0n s ALA 91 CO 0.04 -2.16 1.55 -1.25 0.00 0.00 0.00 175.76 173.94 1x0n s PRO 92 N -0.60 4.07 0.00 0.00 0.04 -1.26 -2.61 135.00 134.64 1x0n s PRO 92 Ca 0.22 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.16 1x0n s PRO 92 Cb -0.13 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.46 1x0n s PRO 92 CO -0.08 -0.96 0.00 0.41 0.04 0.00 0.00 177.00 176.41 1x0n n GLY 93 N 4.18 1.74 3.72 0.56 0.00 -1.26 -5.08 105.19 109.05 1x0n n GLY 93 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1x0n n GLY 93 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x0n s ASP 94 N -1.80 7.44 0.02 1.61 -1.08 -1.07 -5.02 116.67 116.77 1x0n s ASP 94 Ca 0.00 1.74 0.05 0.00 -0.52 0.00 0.00 52.55 53.83 1x0n s ASP 94 Cb 0.00 -2.58 -0.02 0.00 -1.46 0.00 0.00 42.92 38.86 1x0n s ASP 94 CO 0.00 -0.15 -0.16 -0.36 0.52 0.00 0.00 175.17 175.02 1x0n s PHE 95 N 0.42 1.38 -0.06 -5.34 0.08 -1.26 -3.75 117.98 109.45 1x0n s PHE 95 Ca 0.49 -0.32 -0.03 0.00 0.12 0.00 0.00 56.93 57.19 1x0n s PHE 95 Cb -0.22 -0.85 0.04 0.00 -0.57 0.00 0.00 43.02 41.42 1x0n s PHE 95 CO 0.29 0.03 0.10 0.45 -0.10 0.00 0.00 175.22 175.99 1x0n s SER 96 N -0.87 0.93 -0.04 1.36 0.15 -0.83 -2.55 113.70 111.85 1x0n s SER 96 Ca 0.04 0.19 -0.20 0.00 0.70 0.00 0.00 55.95 56.68 1x0n s SER 96 Cb -0.07 0.04 -0.05 0.00 -1.71 0.00 0.00 66.02 64.23 1x0n s SER 96 CO 0.01 -0.24 0.56 -0.22 1.20 0.00 0.00 173.24 174.55 1x0n s LEU 97 N 2.18 4.37 -0.25 3.45 1.98 -0.96 -0.91 118.68 128.54 1x0n s LEU 97 Ca 0.04 1.06 0.02 0.00 -2.89 0.00 0.00 54.13 52.36 1x0n s LEU 97 Cb -0.12 -2.86 0.05 0.00 0.66 0.00 0.00 46.19 43.93 1x0n s LEU 97 CO -0.04 0.06 -0.12 -0.94 -1.89 0.00 0.00 176.35 173.42 1x0n s SER 98 N 0.10 4.29 0.13 3.68 1.04 0.33 -0.56 113.70 122.70 1x0n s SER 98 Ca 0.30 -1.28 0.06 0.00 0.48 0.00 0.00 55.95 55.51 1x0n s SER 98 Cb -0.17 -1.55 -0.04 0.00 0.10 0.00 0.00 66.02 64.36 1x0n s SER 98 CO 0.15 -0.17 -0.01 -0.69 0.98 0.00 0.00 173.24 173.50 1x0n s VAL 99 N 1.14 3.79 -0.17 5.02 1.01 -0.15 -0.80 120.40 130.24 1x0n s VAL 99 Ca -0.07 -1.23 -0.07 0.00 0.00 0.00 0.00 61.98 60.62 1x0n s VAL 99 Cb -0.19 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 1x0n s VAL 99 CO -0.06 0.01 0.05 -0.75 0.00 0.00 0.00 175.10 174.35 1x0n s LYS 100 N -2.59 3.83 -0.43 2.72 2.20 -0.86 -0.38 119.74 124.23 1x0n s LYS 100 Ca 0.26 -0.35 0.02 0.00 -0.36 0.00 0.00 55.97 55.54 1x0n s LYS 100 Cb -0.10 -3.15 0.13 0.00 -1.51 0.00 0.00 37.83 33.20 1x0n s LYS 100 CO 0.18 0.34 0.22 -0.06 -0.36 0.00 0.00 175.35 175.67 1x0n s PHE 101 N 0.17 2.06 0.00 4.03 0.08 -0.17 -3.80 117.98 120.34 1x0n s PHE 101 Ca 0.04 -2.40 0.00 0.00 0.12 0.00 0.00 56.93 54.69 1x0n s PHE 101 Cb -0.12 -1.94 0.00 0.00 -0.57 0.00 0.00 43.02 40.38 1x0n s PHE 101 CO 0.01 -0.80 0.00 0.41 -0.10 0.00 0.00 175.22 174.74 1x0n n GLY 102 N 3.68 2.22 1.48 4.36 0.00 -1.26 -2.09 105.19 113.59 1x0n n GLY 102 Ca 0.07 0.04 -0.03 0.00 0.00 0.00 0.00 46.02 46.10 1x0n n GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1x0n n ASN 103 N 10.36 3.81 -3.68 1.61 5.15 -1.26 -4.90 115.26 126.35 1x0n n ASN 103 Ca 0.00 -3.36 -0.14 0.00 -0.60 0.00 0.00 54.58 50.48 1x0n n ASN 103 Cb 0.00 -0.67 -0.14 0.00 -0.53 0.00 0.00 39.78 38.44 1x0n n ASN 103 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1x0n s ASP 104 N -1.74 0.38 -0.45 1.20 1.01 -0.89 -5.12 116.67 111.06 1x0n s ASP 104 Ca 0.49 0.49 -0.22 0.00 0.71 0.00 0.00 52.55 54.02 1x0n s ASP 104 Cb 0.41 0.51 0.03 0.00 1.01 0.00 0.00 42.92 44.87 1x0n s ASP 104 CO 0.08 -0.23 0.71 -0.69 0.21 0.00 0.00 175.17 175.26 1x0n s VAL 105 N 2.18 4.74 0.58 -1.27 1.01 -1.26 -1.00 120.40 125.37 1x0n s VAL 105 Ca -0.00 0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.25 1x0n s VAL 105 Cb -0.12 -4.27 0.06 0.00 0.00 0.00 0.00 36.38 32.05 1x0n s VAL 105 CO -0.08 -0.68 0.80 -1.10 0.00 0.00 0.00 175.10 174.05 1x0n s GLN 106 N 3.06 2.32 0.24 2.72 -1.52 0.48 -4.94 119.66 122.02 1x0n s GLN 106 Ca 0.26 -1.11 -0.11 0.00 -1.95 0.00 0.00 55.36 52.44 1x0n s GLN 106 Cb -0.13 -2.52 -0.01 0.00 -0.22 0.00 0.00 33.01 30.12 1x0n s GLN 106 CO 0.20 -0.86 0.43 -3.38 -0.25 0.00 0.00 175.29 171.44 1x0n s HIS 107 N -2.77 0.48 -0.09 0.91 -3.43 -1.26 -0.98 115.29 108.15 1x0n s HIS 107 Ca 0.60 -0.82 -0.04 0.00 -0.80 0.00 0.00 55.06 54.00 1x0n s HIS 107 Cb -0.08 0.09 0.05 0.00 -1.43 0.00 0.00 32.58 31.20 1x0n s HIS 107 CO 0.39 -0.95 0.19 -0.06 -2.00 0.00 0.00 174.74 172.31 1x0n s PHE 108 N -4.02 -0.24 -0.44 0.38 0.40 0.27 -4.95 117.98 109.39 1x0n s PHE 108 Ca 0.25 0.67 -0.28 0.00 -0.60 0.00 0.00 56.93 56.96 1x0n s PHE 108 Cb 0.00 -0.15 0.00 0.00 0.51 0.00 0.00 43.02 43.39 1x0n s PHE 108 CO 0.10 -0.26 1.49 0.15 0.70 0.00 0.00 175.22 177.40 1x0n s LYS 109 N 1.95 3.43 0.14 0.44 -0.14 -1.26 -2.27 119.74 122.03 1x0n s LYS 109 Ca -0.01 0.89 -0.31 0.00 -1.36 0.00 0.00 55.97 55.18 1x0n s LYS 109 Cb -0.12 -4.09 -0.08 0.00 -1.68 0.00 0.00 37.83 31.86 1x0n s LYS 109 CO -0.07 -1.75 1.40 0.08 -0.76 0.00 0.00 175.35 174.26 1x0n s VAL 110 N 5.97 3.17 -0.04 3.17 1.01 -1.06 -4.96 120.40 127.67 1x0n s VAL 110 Ca 0.63 0.86 -0.06 0.00 0.00 0.00 0.00 61.98 63.41 1x0n s VAL 110 Cb -0.14 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1x0n s VAL 110 CO 0.31 0.08 0.20 -0.76 0.00 0.00 0.00 175.10 174.93 1x0n s LEU 111 N 0.88 4.38 -0.01 3.92 2.01 -0.82 -4.64 118.68 124.40 1x0n s LEU 111 Ca 0.64 0.48 0.00 0.00 0.01 0.00 0.00 54.13 55.26 1x0n s LEU 111 Cb -0.38 -2.45 0.01 0.00 0.01 0.00 0.00 46.19 43.39 1x0n s LEU 111 CO 0.32 0.31 0.01 -0.13 1.01 0.00 0.00 176.35 177.88 1x0n s ARG 112 N -1.54 -0.00 0.29 1.70 3.00 -1.26 -0.71 118.95 120.43 1x0n s ARG 112 Ca 0.23 0.09 -0.07 0.00 0.00 0.00 0.00 55.73 55.98 1x0n s ARG 112 Cb -0.13 -0.14 -0.00 0.00 0.00 0.00 0.00 34.95 34.68 1x0n s ARG 112 CO 0.13 -0.08 0.44 -0.51 0.00 0.00 0.00 175.30 175.27 1x0n s ASP 113 N 0.54 0.39 0.00 0.23 1.11 -1.07 -4.98 116.67 112.89 1x0n s ASP 113 Ca -0.05 -1.25 0.00 0.00 0.18 0.00 0.00 52.55 51.44 1x0n s ASP 113 Cb -0.07 0.60 0.00 0.00 1.07 0.00 0.00 42.92 44.52 1x0n s ASP 113 CO -0.01 -1.18 0.00 0.61 1.18 0.00 0.00 175.17 175.76 1x0n n GLY 114 N -0.45 1.90 1.95 0.21 0.00 -1.26 -3.34 105.19 104.20 1x0n n GLY 114 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1x0n n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x0n n ALA 115 N 0.00 0.00 -2.18 4.61 0.00 -1.26 -5.01 120.51 116.66 1x0n n ALA 115 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1x0n n ALA 115 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1x0n n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x0n n GLY 116 N -1.47 0.92 3.70 0.00 0.00 -1.25 -5.12 105.19 101.98 1x0n n GLY 116 Ca 0.00 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 1x0n n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x0n s LYS 117 N 0.02 4.15 0.14 1.61 3.01 -1.21 -4.67 119.74 122.79 1x0n s LYS 117 Ca 0.03 -0.19 -0.04 0.00 -1.01 0.00 0.00 55.97 54.76 1x0n s LYS 117 Cb 0.12 -3.47 -0.05 0.00 -1.01 0.00 0.00 37.83 33.42 1x0n s LYS 117 CO -0.04 0.18 0.37 0.71 0.51 0.00 0.00 175.35 177.09 1x0n s TYR 118 N 0.69 3.48 -0.09 3.18 2.02 -0.51 -2.61 117.35 123.51 1x0n s TYR 118 Ca 0.09 0.52 -0.30 0.00 -0.37 0.00 0.00 57.07 57.01 1x0n s TYR 118 Cb -0.12 -1.97 0.10 0.00 -0.40 0.00 0.00 41.96 39.56 1x0n s TYR 118 CO 0.02 0.44 0.83 -0.59 -1.57 0.00 0.00 175.55 174.67 1x0n s PHE 119 N -1.67 -0.50 0.00 2.71 -0.71 0.11 -0.53 117.98 117.39 1x0n s PHE 119 Ca 0.40 0.80 0.00 0.00 -1.04 0.00 0.00 56.93 57.09 1x0n s PHE 119 Cb -0.12 0.44 0.00 0.00 -1.21 0.00 0.00 43.02 42.13 1x0n s PHE 119 CO 0.25 -0.50 0.00 1.28 -1.34 0.00 0.00 175.22 174.92 1x0n n LEU 120 N 0.68 0.00 -3.83 -1.99 4.77 -1.00 -1.94 117.00 113.69 1x0n n LEU 120 Ca -0.14 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.42 1x0n n LEU 120 Cb 0.58 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.68 1x0n n LEU 120 CO 0.19 0.00 1.57 0.79 -1.33 0.00 0.00 177.39 178.61 1x0n n TRP 121 N -0.88 2.55 0.00 -1.77 7.02 -1.26 -4.75 117.44 118.35 1x0n n TRP 121 Ca 0.00 -2.65 0.00 0.00 -1.02 0.00 0.00 57.50 53.83 1x0n n TRP 121 Cb 0.00 -1.49 0.00 0.00 -2.42 0.00 0.00 31.31 27.40 1x0n n TRP 121 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 1x0n n VAL 122 N 1.62 0.00 -1.93 -0.99 0.31 -1.26 -4.95 118.33 111.13 1x0n n VAL 122 Ca 0.38 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 64.30 1x0n n VAL 122 Cb 0.31 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.23 1x0n n VAL 122 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1x0n s VAL 123 N 0.00 2.41 0.04 2.52 0.11 -1.26 -5.02 120.40 119.20 1x0n s VAL 123 Ca 0.00 0.36 -0.00 0.00 -2.93 0.00 0.00 61.98 59.41 1x0n s VAL 123 Cb 0.00 -3.23 -0.03 0.00 -1.53 0.00 0.00 36.38 31.59 1x0n s VAL 123 CO 0.00 0.07 -0.03 -1.59 -3.33 0.00 0.00 175.10 170.21 1x0n s LYS 124 N -0.83 0.50 0.33 1.54 -2.85 -1.26 -2.38 119.74 114.78 1x0n s LYS 124 Ca 0.58 -0.97 -0.07 0.00 -1.00 0.00 0.00 55.97 54.51 1x0n s LYS 124 Cb -0.44 0.13 0.01 0.00 -2.06 0.00 0.00 37.83 35.47 1x0n s LYS 124 CO 0.49 -0.08 0.53 -0.06 0.10 0.00 0.00 175.35 176.33 1x0n s PHE 125 N -2.83 0.74 -0.12 1.78 0.08 0.31 -4.99 117.98 112.96 1x0n s PHE 125 Ca -0.03 -1.08 -0.06 0.00 0.12 0.00 0.00 56.93 55.89 1x0n s PHE 125 Cb 0.00 0.13 -0.26 0.00 -0.57 0.00 0.00 43.02 42.33 1x0n s PHE 125 CO -0.06 -1.17 0.36 0.09 -0.10 0.00 0.00 175.22 174.34 1x0n n ASN 126 N -1.15 2.08 -4.84 1.36 3.02 -1.26 -1.43 115.26 113.03 1x0n n ASN 126 Ca -0.01 0.21 -0.24 0.00 -0.03 0.00 0.00 54.58 54.51 1x0n n ASN 126 Cb 0.61 -0.82 -0.04 0.00 -0.61 0.00 0.00 39.78 38.92 1x0n n ASN 126 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1x0n s SER 127 N -6.99 4.72 -0.12 6.41 0.01 -1.26 -4.55 113.70 111.91 1x0n s SER 127 Ca -0.22 -1.01 -0.15 0.00 1.31 0.00 0.00 55.95 55.88 1x0n s SER 127 Cb 0.07 -0.24 -0.13 0.00 0.21 0.00 0.00 66.02 65.93 1x0n s SER 127 CO 0.77 -0.76 0.40 -0.07 0.41 0.00 0.00 173.24 173.99 1x0n h LEU 128 N 1.07 -0.01 -1.36 2.44 3.38 -1.94 -3.29 115.31 115.60 1x0n h LEU 128 Ca -0.40 -0.50 0.40 0.00 0.09 0.00 0.00 57.88 57.46 1x0n h LEU 128 Cb 1.27 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.90 1x0n h LEU 128 CO 0.61 0.74 0.79 -0.55 0.09 0.00 0.00 178.44 180.13 1x0n h ASN 129 N -1.00 0.29 -0.39 -0.43 -1.07 -1.99 0.69 115.58 111.69 1x0n h ASN 129 Ca -0.00 0.14 -0.02 0.00 0.07 0.00 0.00 56.30 56.48 1x0n h ASN 129 Cb 0.51 0.11 -0.02 0.00 -2.07 0.00 0.00 38.32 36.85 1x0n h ASN 129 CO 0.00 -0.15 0.15 -0.33 0.07 0.00 0.00 177.43 177.17 1x0n h GLU 130 N 0.15 0.59 -0.37 4.14 4.39 -2.00 -1.62 114.58 119.86 1x0n h GLU 130 Ca 0.78 -0.11 -0.08 0.00 0.34 0.00 0.00 59.36 60.29 1x0n h GLU 130 Cb 2.33 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 30.87 1x0n h GLU 130 CO -0.42 0.57 -0.08 1.25 -1.16 0.00 0.00 179.01 179.16 1x0n h LEU 131 N 0.49 0.62 -0.04 1.33 5.85 0.28 -2.59 115.31 121.23 1x0n h LEU 131 Ca 0.13 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 1x0n h LEU 131 Cb 0.21 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 1x0n h LEU 131 CO -0.01 0.74 0.01 0.58 -0.34 0.00 0.00 178.44 179.42 1x0n h VAL 132 N 0.59 1.20 0.29 1.05 2.07 -0.98 -2.51 116.25 117.95 1x0n h VAL 132 Ca 0.11 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1x0n h VAL 132 Cb 0.50 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 1x0n h VAL 132 CO 0.03 0.17 -0.34 -0.78 0.02 0.00 0.00 177.57 176.66 1x0n h ASP 133 N -0.16 -0.95 -0.64 0.57 3.58 -1.20 0.68 116.42 118.30 1x0n h ASP 133 Ca 0.01 0.09 0.13 0.00 0.42 0.00 0.00 57.03 57.69 1x0n h ASP 133 Cb 0.26 0.33 -0.11 0.00 1.72 0.00 0.00 39.33 41.53 1x0n h ASP 133 CO 0.00 -0.47 -0.04 0.22 -2.88 0.00 0.00 179.24 176.07 1x0n h TYR 134 N -0.68 -0.12 0.00 0.28 5.03 -1.49 0.55 116.97 120.54 1x0n h TYR 134 Ca -0.01 0.05 -0.04 0.00 2.58 0.00 0.00 58.73 61.31 1x0n h TYR 134 Cb 0.64 0.15 -0.01 0.00 1.55 0.00 0.00 36.73 39.06 1x0n h TYR 134 CO -0.23 -0.20 -0.17 0.45 -1.32 0.00 0.00 178.16 176.69 1x0n h HIS 135 N 0.08 0.00 0.00 -3.82 3.86 -1.07 -1.09 115.15 113.12 1x0n h HIS 135 Ca 0.33 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.47 1x0n h HIS 135 Cb 0.54 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.00 1x0n h HIS 135 CO -0.41 0.17 -0.32 -0.09 0.86 0.00 0.00 177.93 178.14 1x0n h ARG 136 N 0.00 0.00 0.00 2.45 1.12 0.25 -3.12 114.38 115.08 1x0n h ARG 136 Ca -0.00 0.00 -0.13 0.00 -1.11 0.00 0.00 59.98 58.73 1x0n h ARG 136 Cb 0.48 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.41 1x0n h ARG 136 CO 0.02 0.32 -1.81 0.45 -3.11 0.00 0.00 179.97 175.84 1x0n n SER 137 N -3.43 0.34 -4.73 -3.80 2.88 -0.65 -3.87 113.62 100.37 1x0n n SER 137 Ca 0.00 0.15 -0.27 0.00 -1.33 0.00 0.00 58.87 57.42 1x0n n SER 137 Cb 0.50 1.06 -0.07 0.00 -0.75 0.00 0.00 64.21 64.95 1x0n n SER 137 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1x0n s THR 138 N -3.09 4.09 0.97 2.46 -1.32 -0.47 -5.06 115.64 113.21 1x0n s THR 138 Ca -0.06 -1.22 -0.16 0.00 -1.21 0.00 0.00 61.69 59.03 1x0n s THR 138 Cb 0.10 -3.06 -0.12 0.00 -1.51 0.00 0.00 72.50 67.91 1x0n s THR 138 CO 0.85 -0.08 -0.58 -1.54 -2.21 0.00 0.00 174.62 171.05 1x0n n SER 139 N -0.14 -5.30 0.00 8.08 3.41 -1.26 -4.61 113.62 113.79 1x0n n SER 139 Ca -0.09 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1x0n n SER 139 Cb 0.55 -0.84 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 1x0n n SER 139 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1x0n n VAL 140 N -2.62 0.00 -3.59 -3.33 0.24 -1.08 -4.92 118.33 103.03 1x0n n VAL 140 Ca -0.00 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.95 1x0n n VAL 140 Cb 0.55 -0.89 -0.06 0.00 -1.47 0.00 0.00 33.84 31.98 1x0n n VAL 140 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1x0n s SER 141 N -4.51 6.65 -0.23 -1.34 0.15 -1.26 -4.98 113.70 108.17 1x0n s SER 141 Ca 0.00 0.79 0.02 0.00 0.70 0.00 0.00 55.95 57.46 1x0n s SER 141 Cb 0.00 -2.18 0.36 0.00 -1.71 0.00 0.00 66.02 62.50 1x0n s SER 141 CO 0.00 0.22 1.47 0.54 1.20 0.00 0.00 173.24 176.66 1x0n n ARG 142 N 1.12 1.76 0.00 5.44 5.12 -1.26 -4.05 116.66 124.79 1x0n n ARG 142 Ca -0.10 -1.61 0.00 0.00 -1.93 0.00 0.00 57.85 54.21 1x0n n ARG 142 Cb 0.52 -1.65 0.00 0.00 -1.16 0.00 0.00 32.46 30.18 1x0n n ARG 142 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1x0n n ASN 143 N -0.33 0.42 -2.06 0.55 2.85 -1.26 -5.13 115.26 110.30 1x0n n ASN 143 Ca 0.31 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.72 1x0n n ASN 143 Cb 1.10 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 42.11 1x0n n ASN 143 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1x0n n GLN 144 N -2.69 1.02 -3.48 1.20 6.02 -1.26 -5.11 117.38 113.08 1x0n n GLN 144 Ca 0.00 -0.72 -0.43 0.00 -0.01 0.00 0.00 57.00 55.85 1x0n n GLN 144 Cb 0.31 0.35 -0.07 0.00 1.02 0.00 0.00 30.24 31.85 1x0n n GLN 144 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1x0n s GLN 145 N -2.33 2.65 0.11 -1.09 -0.21 -1.26 -4.51 119.66 113.02 1x0n s GLN 145 Ca 0.04 -1.77 0.03 0.00 0.02 0.00 0.00 55.36 53.68 1x0n s GLN 145 Cb 0.00 -4.05 -0.04 0.00 1.00 0.00 0.00 33.01 29.92 1x0n s GLN 145 CO 0.02 -1.24 -0.08 0.42 -2.12 0.00 0.00 175.29 172.30 1x0n s ILE 146 N 1.41 0.85 0.22 1.08 1.01 -1.26 -5.06 121.20 119.45 1x0n s ILE 146 Ca 0.05 -1.89 0.10 0.00 0.00 0.00 0.00 60.65 58.91 1x0n s ILE 146 Cb -0.27 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 1x0n s ILE 146 CO 0.00 -0.78 -0.15 -0.36 0.00 0.00 0.00 174.94 173.66 1x0n s PHE 147 N -3.29 2.47 -0.42 3.97 0.08 -1.26 -2.62 117.98 116.91 1x0n s PHE 147 Ca 0.11 -0.29 -0.29 0.00 0.12 0.00 0.00 56.93 56.59 1x0n s PHE 147 Cb 0.03 -1.16 0.02 0.00 -0.57 0.00 0.00 43.02 41.34 1x0n s PHE 147 CO -0.02 0.58 1.22 -1.17 -0.10 0.00 0.00 175.22 175.72 1x0n s LEU 148 N -3.09 3.70 0.07 -0.37 2.96 -1.24 -4.57 118.68 116.14 1x0n s LEU 148 Ca 0.26 0.73 -0.19 0.00 -0.22 0.00 0.00 54.13 54.71 1x0n s LEU 148 Cb -0.07 -3.55 -0.07 0.00 0.50 0.00 0.00 46.19 43.01 1x0n s LEU 148 CO 0.14 -1.22 0.55 -0.13 -1.32 0.00 0.00 176.35 174.37 1x0n s ARG 149 N 4.42 4.16 -0.28 1.98 1.81 0.36 -4.54 118.95 126.86 1x0n s ARG 149 Ca 0.52 0.69 -0.29 0.00 -1.72 0.00 0.00 55.73 54.93 1x0n s ARG 149 Cb -0.11 -3.21 0.00 0.00 -0.45 0.00 0.00 34.95 31.18 1x0n s ARG 149 CO 0.29 0.63 1.27 0.16 -0.68 0.00 0.00 175.30 176.97 1x0n s ASP 150 N -1.15 6.75 0.63 0.23 1.47 -1.26 -2.57 116.67 120.76 1x0n s ASP 150 Ca 0.29 1.26 -0.18 0.00 1.18 0.00 0.00 52.55 55.11 1x0n s ASP 150 Cb -0.19 -2.54 -0.02 0.00 -0.34 0.00 0.00 42.92 39.83 1x0n s ASP 150 CO 0.19 -1.00 1.20 -0.51 0.68 0.00 0.00 175.17 175.73 1x0n s ILE 151 N 4.15 2.58 -1.23 2.11 2.07 -1.26 -4.91 121.20 124.71 1x0n s ILE 151 Ca 0.55 0.34 -0.17 0.00 -1.41 0.00 0.00 60.65 59.96 1x0n s ILE 151 Cb -0.17 -3.06 0.11 0.00 0.13 0.00 0.00 42.46 39.47 1x0n s ILE 151 CO 0.21 -0.10 1.59 -1.61 -1.91 0.00 0.00 174.94 173.11 1x0n s GLU 152 N -3.51 3.98 0.35 3.50 2.02 -1.26 -4.66 118.70 119.12 1x0n s GLU 152 Ca 0.76 -2.13 -0.27 0.00 0.02 0.00 0.00 54.97 53.35 1x0n s GLU 152 Cb -0.30 -5.33 -0.12 0.00 0.10 0.00 0.00 34.13 28.48 1x0n s GLU 152 CO 0.36 -2.06 1.05 0.94 0.02 0.00 0.00 175.26 175.57 1x0n n GLN 153 N 7.39 1.48 -1.07 1.61 7.27 -1.26 -4.72 117.38 128.07 1x0n n GLN 153 Ca 0.42 0.52 -0.42 0.00 0.07 0.00 0.00 57.00 57.60 1x0n n GLN 153 Cb 0.45 -1.99 -0.06 0.00 2.41 0.00 0.00 30.24 31.05 1x0n n GLN 153 CO 0.00 0.00 0.00 1.55 0.07 0.00 0.00 177.06 178.68 1x0n n VAL 154 N -0.04 0.00 -1.19 1.69 3.14 -1.26 -4.88 118.33 115.79 1x0n n VAL 154 Ca 0.09 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.17 1x0n n VAL 154 Cb 0.35 -0.12 0.15 0.00 -1.06 0.00 0.00 33.84 33.17 1x0n n VAL 154 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1x0n s PRO 155 N 0.69 0.90 -0.47 1.45 0.04 -1.26 -5.06 135.00 131.29 1x0n s PRO 155 Ca 0.65 0.69 0.05 0.00 0.04 0.00 0.00 61.00 62.42 1x0n s PRO 155 Cb -0.91 -1.78 0.19 0.00 0.04 0.00 0.00 34.50 32.04 1x0n s PRO 155 CO 0.44 -2.45 0.79 -1.14 0.04 0.00 0.00 177.00 174.68 1x0n s GLN 156 N -4.95 0.89 0.03 4.56 0.74 -1.26 -5.13 119.66 114.54 1x0n s GLN 156 Ca 0.64 -0.82 -0.39 0.00 0.05 0.00 0.00 55.36 54.85 1x0n s GLN 156 Cb -0.18 -0.03 -0.19 0.00 1.10 0.00 0.00 33.01 33.71 1x0n s GLN 156 CO 0.57 -1.12 1.10 1.04 -0.55 0.00 0.00 175.29 176.34 1x0n n GLN 157 N 3.06 0.26 -1.11 1.67 3.00 -1.26 -4.92 117.38 118.08 1x0n n GLN 157 Ca 0.16 0.09 -0.29 0.00 -0.01 0.00 0.00 57.00 56.95 1x0n n GLN 157 Cb 0.58 -1.60 0.22 0.00 0.00 0.00 0.00 30.24 29.44 1x0n n GLN 157 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1x0n s PRO 158 N 0.04 -0.68 0.00 -1.09 0.04 -1.26 -5.36 135.00 126.69 1x0n s PRO 158 Ca 0.88 0.13 0.00 0.00 0.04 0.00 0.00 61.00 62.05 1x0n s PRO 158 Cb -1.18 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 31.72 1x0n s PRO 158 CO 0.55 -3.39 0.00 -2.37 0.04 0.00 0.00 177.00 171.83