#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 3.46 0.03 -2.67 5.36 -1.26 -2.22 117.98 120.68 1x0n s PHE 61 Ca 0.00 0.64 0.04 0.00 -0.96 0.00 0.00 56.93 56.64 1x0n s PHE 61 Cb 0.00 -2.07 -0.02 0.00 -0.34 0.00 0.00 43.02 40.59 1x0n s PHE 61 CO 0.00 0.36 -0.11 -0.06 -1.46 0.00 0.00 175.22 173.95 1x0n s PHE 62 N -1.75 0.98 -0.28 10.12 0.40 0.29 -4.93 117.98 122.80 1x0n s PHE 62 Ca 0.43 -0.33 -0.14 0.00 -0.60 0.00 0.00 56.93 56.29 1x0n s PHE 62 Cb -0.12 -0.59 -0.04 0.00 0.51 0.00 0.00 43.02 42.79 1x0n s PHE 62 CO 0.24 -0.00 0.33 0.20 0.70 0.00 0.00 175.22 176.70 1x0n s GLY 63 N -0.99 1.89 0.00 4.36 0.00 -1.26 -2.18 107.32 109.14 1x0n s GLY 63 Ca -0.00 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 43.78 1x0n s GLY 63 CO 0.01 0.91 0.00 0.28 0.00 0.00 0.00 173.10 174.30 1x0n n LYS 64 N 5.28 -0.36 -4.04 2.90 5.02 -1.15 -4.92 118.16 120.89 1x0n n LYS 64 Ca -0.10 0.69 -0.16 0.00 -2.02 0.00 0.00 58.31 56.72 1x0n n LYS 64 Cb 0.51 -0.76 -0.15 0.00 -0.02 0.00 0.00 35.03 34.61 1x0n n LYS 64 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1x0n s ILE 65 N -0.65 0.28 0.37 -0.18 -4.36 -1.26 -5.04 121.20 110.36 1x0n s ILE 65 Ca 0.00 -0.07 -0.27 0.00 -0.26 0.00 0.00 60.65 60.05 1x0n s ILE 65 Cb 0.00 -0.30 -0.09 0.00 1.25 0.00 0.00 42.46 43.32 1x0n s ILE 65 CO 0.00 0.12 1.20 -2.16 0.24 0.00 0.00 174.94 174.35 1x0n s PRO 66 N 0.42 4.20 0.22 0.37 0.04 -1.26 -4.79 135.00 134.20 1x0n s PRO 66 Ca -0.04 1.95 0.02 0.00 0.04 0.00 0.00 61.00 62.96 1x0n s PRO 66 Cb -0.07 -2.85 0.54 0.00 0.04 0.00 0.00 34.50 32.16 1x0n s PRO 66 CO -0.01 -0.23 1.10 0.54 0.04 0.00 0.00 177.00 178.44 1x0n n ARG 67 N 0.41 -0.06 -0.05 4.56 1.74 -1.26 0.15 116.66 122.15 1x0n n ARG 67 Ca 0.02 1.05 -0.08 0.00 -0.77 0.00 0.00 57.85 58.08 1x0n n ARG 67 Cb 0.45 -1.67 -0.01 0.00 -1.02 0.00 0.00 32.46 30.20 1x0n n ARG 67 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x0n h ALA 68 N 1.40 -0.02 -0.40 7.54 0.00 -1.99 -0.88 119.26 124.91 1x0n h ALA 68 Ca 0.43 0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.50 1x0n h ALA 68 Cb 0.89 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 1x0n h ALA 68 CO -0.66 -0.60 -0.06 -0.22 0.00 0.00 0.00 179.25 177.71 1x0n h LYS 69 N -0.17 0.03 0.18 0.00 1.63 0.97 -1.09 116.57 118.12 1x0n h LYS 69 Ca 0.13 -0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.94 1x0n h LYS 69 Cb 0.37 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.97 1x0n h LYS 69 CO -0.34 0.02 -0.26 0.00 -3.45 0.00 0.00 179.45 175.43 1x0n h ALA 70 N 1.38 -0.48 -0.68 5.00 0.00 -1.04 0.21 119.26 123.65 1x0n h ALA 70 Ca 0.19 -0.06 0.18 0.00 0.00 0.00 0.00 54.91 55.23 1x0n h ALA 70 Cb 0.29 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1x0n h ALA 70 CO -0.38 -0.81 0.48 0.93 0.00 0.00 0.00 179.25 179.47 1x0n h GLU 71 N -0.50 0.09 -0.02 0.00 5.08 -0.71 -0.99 114.58 117.53 1x0n h GLU 71 Ca 0.01 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 1x0n h GLU 71 Cb 0.50 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.74 1x0n h GLU 71 CO -0.11 0.06 -0.42 0.93 -1.00 0.00 0.00 179.01 178.47 1x0n h GLU 72 N 0.09 0.32 -0.62 2.33 4.39 -0.12 0.60 114.58 121.58 1x0n h GLU 72 Ca 0.33 -0.32 0.11 0.00 0.34 0.00 0.00 59.36 59.82 1x0n h GLU 72 Cb 1.16 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.86 1x0n h GLU 72 CO -0.03 1.00 0.42 0.52 -1.16 0.00 0.00 179.01 179.75 1x0n h MET 73 N -0.24 0.37 0.15 2.33 2.86 0.32 0.30 114.93 121.02 1x0n h MET 73 Ca -0.05 -0.02 -0.34 0.00 -2.06 0.00 0.00 59.70 57.23 1x0n h MET 73 Cb 1.13 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.70 1x0n h MET 73 CO 0.08 0.24 -1.75 -0.07 1.06 0.00 0.00 176.91 176.48 1x0n h LEU 74 N 0.38 0.49 -0.33 1.22 3.38 -1.41 -3.34 115.31 115.69 1x0n h LEU 74 Ca 0.29 -0.91 0.03 0.00 0.09 0.00 0.00 57.88 57.38 1x0n h LEU 74 Cb 0.63 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1x0n h LEU 74 CO -0.08 1.77 0.13 0.28 0.09 0.00 0.00 178.44 180.63 1x0n h SER 75 N -0.03 0.16 -0.23 -0.43 0.02 -0.32 -0.86 113.55 111.87 1x0n h SER 75 Ca -0.36 0.03 0.07 0.00 -0.84 0.00 0.00 61.79 60.68 1x0n h SER 75 Cb 1.98 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.52 1x0n h SER 75 CO 0.11 0.13 0.23 0.07 -1.14 0.00 0.00 176.83 176.23 1x0n h LYS 76 N 0.28 0.00 -7.22 3.45 2.10 -1.12 -3.43 116.57 110.64 1x0n h LYS 76 Ca 0.15 0.00 -0.49 0.00 -2.00 0.00 0.00 60.65 58.31 1x0n h LYS 76 Cb 0.10 0.00 0.20 0.00 -0.90 0.00 0.00 32.23 31.63 1x0n h LYS 76 CO -0.13 0.00 0.14 -0.65 -2.00 0.00 0.00 179.45 176.80 1x0n s GLN 77 N -4.70 0.22 -0.16 0.07 -1.52 -0.33 -4.98 119.66 108.26 1x0n s GLN 77 Ca -0.05 1.29 0.13 0.00 -1.95 0.00 0.00 55.36 54.78 1x0n s GLN 77 Cb 0.16 -1.65 -0.19 0.00 -0.22 0.00 0.00 33.01 31.10 1x0n s GLN 77 CO 0.58 -3.09 0.04 0.54 -0.25 0.00 0.00 175.29 173.10 1x0n n ARG 78 N -4.53 1.39 -0.86 2.91 5.12 -1.26 -5.01 116.66 114.41 1x0n n ARG 78 Ca 0.08 -0.00 -0.18 0.00 -1.93 0.00 0.00 57.85 55.82 1x0n n ARG 78 Cb 0.53 -1.40 0.14 0.00 -1.16 0.00 0.00 32.46 30.57 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 -2.61 -3.74 -3.86 -1.55 8.25 -1.26 -5.06 115.22 105.40 1x0n n HIS 79 Ca -0.26 -0.66 -0.29 0.00 -0.26 0.00 0.00 57.72 56.24 1x0n n HIS 79 Cb 1.01 -0.68 -0.16 0.00 1.12 0.00 0.00 29.99 31.28 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 -3.61 3.62 0.00 0.41 1.11 -1.26 -4.75 116.67 112.18 1x0n s ASP 80 Ca 0.45 -1.16 0.00 0.00 0.18 0.00 0.00 52.55 52.02 1x0n s ASP 80 Cb -0.03 -0.98 0.00 0.00 1.07 0.00 0.00 42.92 42.98 1x0n s ASP 80 CO 0.33 -0.28 0.00 0.61 1.18 0.00 0.00 175.17 177.01 1x0n n GLY 81 N 4.79 1.69 3.75 0.21 0.00 -1.24 -4.73 105.19 109.66 1x0n n GLY 81 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.69 3.76 -0.02 4.61 0.00 -1.26 -0.43 121.76 126.73 1x0n s ALA 82 Ca 0.00 1.57 0.03 0.00 0.00 0.00 0.00 51.96 53.57 1x0n s ALA 82 Cb 0.00 -3.65 -0.03 0.00 0.00 0.00 0.00 23.12 19.44 1x0n s ALA 82 CO 0.00 -0.98 -0.11 -0.59 0.00 0.00 0.00 175.76 174.08 1x0n s PHE 83 N 0.11 2.79 -0.09 0.00 -0.12 -1.14 -2.44 117.98 117.10 1x0n s PHE 83 Ca 0.64 -0.09 -0.04 0.00 -0.05 0.00 0.00 56.93 57.39 1x0n s PHE 83 Cb -0.48 -1.61 0.05 0.00 -0.63 0.00 0.00 43.02 40.35 1x0n s PHE 83 CO 0.46 0.29 0.17 -1.17 -0.05 0.00 0.00 175.22 174.93 1x0n s LEU 84 N -1.09 -0.05 -0.30 -1.99 0.20 -0.73 -4.35 118.68 110.37 1x0n s LEU 84 Ca 0.14 0.37 -0.13 0.00 0.69 0.00 0.00 54.13 55.20 1x0n s LEU 84 Cb -0.11 0.35 -0.04 0.00 -0.43 0.00 0.00 46.19 45.96 1x0n s LEU 84 CO 0.04 -0.24 0.27 -0.63 -0.29 0.00 0.00 176.35 175.50 1x0n s ILE 85 N 2.23 5.25 0.01 6.68 1.01 -0.94 -0.40 121.20 135.05 1x0n s ILE 85 Ca 0.02 0.18 0.01 0.00 0.00 0.00 0.00 60.65 60.87 1x0n s ILE 85 Cb -0.12 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 1x0n s ILE 85 CO -0.06 0.14 0.03 0.00 0.00 0.00 0.00 174.94 175.04 1x0n s ARG 86 N 1.86 2.85 0.02 2.79 1.70 0.26 -0.55 118.95 127.89 1x0n s ARG 86 Ca 0.09 -0.60 -0.01 0.00 -0.47 0.00 0.00 55.73 54.74 1x0n s ARG 86 Cb -0.16 -2.72 -0.04 0.00 -0.57 0.00 0.00 34.95 31.46 1x0n s ARG 86 CO 0.11 0.62 0.19 -2.00 -1.08 0.00 0.00 175.30 173.13 1x0n s GLU 87 N -1.74 3.40 0.85 3.89 2.12 -0.93 -2.04 118.70 124.26 1x0n s GLU 87 Ca 0.22 -0.39 -0.12 0.00 0.36 0.00 0.00 54.97 55.03 1x0n s GLU 87 Cb -0.12 -3.05 0.10 0.00 0.26 0.00 0.00 34.13 31.33 1x0n s GLU 87 CO 0.13 0.64 1.14 -1.12 -0.54 0.00 0.00 175.26 175.51 1x0n s SER 88 N -2.19 4.05 -0.18 -1.70 0.01 -1.19 -2.93 113.70 109.57 1x0n s SER 88 Ca 0.30 1.00 -0.15 0.00 1.31 0.00 0.00 55.95 58.42 1x0n s SER 88 Cb -0.13 -1.60 -0.06 0.00 0.21 0.00 0.00 66.02 64.44 1x0n s SER 88 CO 0.23 -2.21 -0.24 -1.84 0.41 0.00 0.00 173.24 169.58 1x0n n GLU 89 N -3.55 0.51 -0.59 12.44 0.28 -1.26 -4.49 120.64 123.97 1x0n n GLU 89 Ca 0.07 0.36 0.08 0.00 -0.16 0.00 0.00 57.16 57.51 1x0n n GLU 89 Cb 0.59 -1.56 0.32 0.00 1.43 0.00 0.00 31.44 32.22 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 -4.50 4.41 -3.76 -1.84 7.64 -1.26 -4.69 113.62 109.62 1x0n n SER 90 Ca -0.17 -2.47 -0.29 0.00 1.01 0.00 0.00 58.87 56.95 1x0n n SER 90 Cb 0.47 -0.57 -0.13 0.00 -1.01 0.00 0.00 64.21 62.98 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 -1.95 2.44 0.07 -0.43 0.00 -1.26 -5.10 121.76 115.52 1x0n s ALA 91 Ca 0.45 -2.79 -0.31 0.00 0.00 0.00 0.00 51.96 49.32 1x0n s ALA 91 Cb 0.30 -1.95 -0.07 0.00 0.00 0.00 0.00 23.12 21.41 1x0n s ALA 91 CO 0.20 -2.05 1.40 -1.25 0.00 0.00 0.00 175.76 174.06 1x0n s PRO 92 N 0.13 4.31 0.00 0.00 0.04 -1.26 -2.63 135.00 135.58 1x0n s PRO 92 Ca 0.18 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.25 1x0n s PRO 92 Cb -0.23 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 30.91 1x0n s PRO 92 CO -0.01 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 176.94 1x0n n GLY 93 N 3.57 0.69 3.65 0.56 0.00 -1.26 -5.04 105.19 107.36 1x0n n GLY 93 Ca 0.12 0.00 -0.37 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 -2.07 6.19 0.04 1.61 -1.08 -1.08 -4.94 116.67 115.33 1x0n s ASP 94 Ca 0.00 0.20 0.08 0.00 -0.52 0.00 0.00 52.55 52.32 1x0n s ASP 94 Cb 0.00 -2.15 -0.03 0.00 -1.46 0.00 0.00 42.92 39.29 1x0n s ASP 94 CO 0.00 -0.01 -0.24 -0.36 0.52 0.00 0.00 175.17 175.08 1x0n s PHE 95 N 1.30 2.14 -0.04 -5.34 0.08 -1.26 -3.20 117.98 111.67 1x0n s PHE 95 Ca 0.11 -0.40 -0.01 0.00 0.12 0.00 0.00 56.93 56.75 1x0n s PHE 95 Cb -0.14 -1.29 0.03 0.00 -0.57 0.00 0.00 43.02 41.04 1x0n s PHE 95 CO 0.07 0.10 0.04 0.45 -0.10 0.00 0.00 175.22 175.77 1x0n s SER 96 N -1.15 0.86 -0.05 1.36 0.15 -0.87 -2.75 113.70 111.26 1x0n s SER 96 Ca 0.10 0.04 -0.13 0.00 0.70 0.00 0.00 55.95 56.67 1x0n s SER 96 Cb -0.10 -0.17 -0.05 0.00 -1.71 0.00 0.00 66.02 64.00 1x0n s SER 96 CO 0.02 -0.20 0.33 -0.22 1.20 0.00 0.00 173.24 174.37 1x0n s LEU 97 N 1.77 4.43 -0.21 3.45 1.98 -1.03 -0.58 118.68 128.49 1x0n s LEU 97 Ca 0.00 0.79 -0.00 0.00 -2.89 0.00 0.00 54.13 52.03 1x0n s LEU 97 Cb -0.12 -2.43 0.06 0.00 0.66 0.00 0.00 46.19 44.35 1x0n s LEU 97 CO -0.03 0.32 -0.03 -0.44 -1.89 0.00 0.00 176.35 174.28 1x0n s SER 98 N -0.91 3.35 -0.08 3.68 0.01 0.47 -0.37 113.70 119.86 1x0n s SER 98 Ca 0.21 -0.96 -0.01 0.00 1.31 0.00 0.00 55.95 56.51 1x0n s SER 98 Cb -0.15 -0.97 -0.03 0.00 0.21 0.00 0.00 66.02 65.08 1x0n s SER 98 CO 0.10 -0.24 -0.02 -0.69 0.41 0.00 0.00 173.24 172.80 1x0n s VAL 99 N 1.57 4.09 0.04 3.43 1.01 0.27 -1.77 120.40 129.04 1x0n s VAL 99 Ca -0.03 -0.34 -0.21 0.00 0.00 0.00 0.00 61.98 61.40 1x0n s VAL 99 Cb -0.17 -2.71 -0.06 0.00 0.00 0.00 0.00 36.38 33.44 1x0n s VAL 99 CO -0.07 0.59 0.62 -0.75 0.00 0.00 0.00 175.10 175.50 1x0n s LYS 100 N -0.88 4.33 -0.36 2.72 2.20 -1.02 -0.38 119.74 126.34 1x0n s LYS 100 Ca 0.13 0.81 -0.00 0.00 -0.36 0.00 0.00 55.97 56.55 1x0n s LYS 100 Cb -0.11 -3.31 0.13 0.00 -1.51 0.00 0.00 37.83 33.03 1x0n s LYS 100 CO 0.02 0.45 0.19 -0.06 -0.36 0.00 0.00 175.35 175.59 1x0n s PHE 101 N -0.50 1.09 0.00 4.03 0.08 0.13 -3.59 117.98 119.23 1x0n s PHE 101 Ca 0.32 -1.72 0.00 0.00 0.12 0.00 0.00 56.93 55.65 1x0n s PHE 101 Cb -0.19 -1.25 0.00 0.00 -0.57 0.00 0.00 43.02 41.01 1x0n s PHE 101 CO 0.19 -0.82 0.00 0.41 -0.10 0.00 0.00 175.22 174.90 1x0n n GLY 102 N 4.20 1.26 1.18 4.36 0.00 -1.26 -1.52 105.19 113.41 1x0n n GLY 102 Ca 0.07 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1x0n n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x0n n ASN 103 N 10.78 3.39 -3.78 1.61 3.02 -1.26 -4.95 115.26 124.07 1x0n n ASN 103 Ca 0.00 -3.38 -0.13 0.00 -0.03 0.00 0.00 54.58 51.04 1x0n n ASN 103 Cb 0.00 -0.62 -0.13 0.00 -0.61 0.00 0.00 39.78 38.42 1x0n n ASN 103 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1x0n s ASP 104 N -2.06 -0.15 -0.52 6.41 1.01 -0.58 -5.12 116.67 115.66 1x0n s ASP 104 Ca 0.45 0.33 -0.14 0.00 0.71 0.00 0.00 52.55 53.90 1x0n s ASP 104 Cb 0.38 0.27 0.13 0.00 1.01 0.00 0.00 42.92 44.71 1x0n s ASP 104 CO 0.06 -0.10 0.46 -0.69 0.21 0.00 0.00 175.17 175.10 1x0n s VAL 105 N 0.62 4.95 0.78 -1.27 1.01 -1.26 0.22 120.40 125.45 1x0n s VAL 105 Ca -0.04 -1.56 -0.08 0.00 0.00 0.00 0.00 61.98 60.30 1x0n s VAL 105 Cb -0.06 -4.19 0.11 0.00 0.00 0.00 0.00 36.38 32.24 1x0n s VAL 105 CO -0.03 -0.83 1.10 -1.10 0.00 0.00 0.00 175.10 174.24 1x0n s GLN 106 N 1.54 1.69 0.24 2.72 -1.52 0.48 -4.89 119.66 119.92 1x0n s GLN 106 Ca 0.04 -0.43 -0.15 0.00 -1.95 0.00 0.00 55.36 52.86 1x0n s GLN 106 Cb -0.29 -2.10 0.01 0.00 -0.22 0.00 0.00 33.01 30.40 1x0n s GLN 106 CO 0.02 -1.60 0.52 -3.38 -0.25 0.00 0.00 175.29 170.60 1x0n s HIS 107 N -3.41 0.16 -0.06 0.91 -3.43 -1.26 -0.56 115.29 107.63 1x0n s HIS 107 Ca 0.65 -0.54 -0.03 0.00 -0.80 0.00 0.00 55.06 54.34 1x0n s HIS 107 Cb -0.08 0.32 0.04 0.00 -1.43 0.00 0.00 32.58 31.42 1x0n s HIS 107 CO 0.47 -1.01 0.12 -0.06 -2.00 0.00 0.00 174.74 172.26 1x0n s PHE 108 N -3.97 -0.08 -0.17 0.38 0.40 0.49 -4.94 117.98 110.10 1x0n s PHE 108 Ca 0.17 0.45 -0.29 0.00 -0.60 0.00 0.00 56.93 56.67 1x0n s PHE 108 Cb -0.02 -0.34 -0.03 0.00 0.51 0.00 0.00 43.02 43.14 1x0n s PHE 108 CO 0.06 -0.23 1.61 0.15 0.70 0.00 0.00 175.22 177.51 1x0n s LYS 109 N 2.18 3.93 0.25 0.44 -0.14 -1.26 -2.47 119.74 122.65 1x0n s LYS 109 Ca 0.03 1.82 -0.30 0.00 -1.36 0.00 0.00 55.97 56.17 1x0n s LYS 109 Cb -0.12 -4.01 -0.09 0.00 -1.68 0.00 0.00 37.83 31.93 1x0n s LYS 109 CO -0.05 -1.14 1.14 0.08 -0.76 0.00 0.00 175.35 174.62 1x0n s VAL 110 N 4.80 3.50 -0.13 3.17 1.01 -1.11 -5.00 120.40 126.63 1x0n s VAL 110 Ca 0.71 1.42 -0.05 0.00 0.00 0.00 0.00 61.98 64.06 1x0n s VAL 110 Cb -0.27 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 1x0n s VAL 110 CO 0.28 0.30 0.05 -0.76 0.00 0.00 0.00 175.10 174.98 1x0n s LEU 111 N -1.05 3.84 0.43 3.92 1.02 -0.92 -4.73 118.68 121.19 1x0n s LEU 111 Ca 0.47 0.19 0.04 0.00 0.02 0.00 0.00 54.13 54.86 1x0n s LEU 111 Cb -0.32 -1.93 -0.05 0.00 0.02 0.00 0.00 46.19 43.91 1x0n s LEU 111 CO 0.40 0.31 0.02 -0.13 0.02 0.00 0.00 176.35 176.97 1x0n s ARG 112 N -0.43 2.00 0.50 1.70 3.00 -1.26 -1.10 118.95 123.37 1x0n s ARG 112 Ca 0.09 -2.19 0.04 0.00 0.00 0.00 0.00 55.73 53.67 1x0n s ARG 112 Cb -0.12 -1.44 -0.00 0.00 0.00 0.00 0.00 34.95 33.38 1x0n s ARG 112 CO 0.02 -0.20 0.17 0.34 0.00 0.00 0.00 175.30 175.63 1x0n s ASP 113 N -3.73 4.34 -0.05 0.23 2.15 -1.00 -4.97 116.67 113.63 1x0n s ASP 113 Ca 0.25 -1.42 0.01 0.00 0.43 0.00 0.00 52.55 51.83 1x0n s ASP 113 Cb 0.07 0.30 0.11 0.00 -0.30 0.00 0.00 42.92 43.10 1x0n s ASP 113 CO 0.13 -0.88 0.87 0.61 -0.17 0.00 0.00 175.17 175.73 1x0n n GLY 114 N -1.42 1.99 0.00 2.66 0.00 -1.26 -3.56 105.19 103.60 1x0n n GLY 114 Ca -0.10 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 0.16 1.90 0.00 4.61 0.00 -1.26 -5.06 120.51 120.87 1x0n n ALA 115 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1x0n n ALA 115 Cb 0.51 0.26 0.00 0.00 0.00 0.00 0.00 19.45 20.22 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 2.51 0.70 3.59 0.00 0.00 -1.23 -5.16 105.19 105.59 1x0n n GLY 116 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 2.09 0.18 1.61 1.02 -1.26 -4.95 119.74 118.43 1x0n s LYS 117 Ca 0.00 -1.54 0.11 0.00 0.02 0.00 0.00 55.97 54.56 1x0n s LYS 117 Cb 0.00 -2.03 -0.04 0.00 -0.52 0.00 0.00 37.83 35.24 1x0n s LYS 117 CO 0.00 0.35 -0.22 0.71 -0.92 0.00 0.00 175.35 175.27 1x0n s TYR 118 N -2.39 2.35 -0.03 3.18 2.02 -0.92 -2.38 117.35 119.18 1x0n s TYR 118 Ca 0.31 -0.34 -0.30 0.00 -0.37 0.00 0.00 57.07 56.37 1x0n s TYR 118 Cb -0.06 -1.18 0.11 0.00 -0.40 0.00 0.00 41.96 40.43 1x0n s TYR 118 CO 0.18 0.48 0.95 -0.59 -1.57 0.00 0.00 175.55 175.01 1x0n s PHE 119 N -1.60 -0.30 -0.18 2.71 -0.12 -0.26 -1.77 117.98 116.47 1x0n s PHE 119 Ca 0.20 0.17 -0.14 0.00 -0.05 0.00 0.00 56.93 57.12 1x0n s PHE 119 Cb -0.08 0.54 0.05 0.00 -0.63 0.00 0.00 43.02 42.90 1x0n s PHE 119 CO 0.10 -0.50 0.46 -0.51 -0.05 0.00 0.00 175.22 174.73 1x0n s LEU 120 N -2.46 0.04 0.00 -1.99 1.43 -1.12 -2.17 118.68 112.41 1x0n s LEU 120 Ca 0.06 0.96 0.00 0.00 -1.03 0.00 0.00 54.13 54.12 1x0n s LEU 120 Cb -0.01 1.56 0.00 0.00 0.03 0.00 0.00 46.19 47.77 1x0n s LEU 120 CO -0.08 -0.18 0.00 0.79 0.23 0.00 0.00 176.35 177.12 1x0n n TRP 121 N 3.44 0.00 0.00 0.29 7.02 -1.26 -2.55 117.44 124.37 1x0n n TRP 121 Ca -0.17 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.31 1x0n n TRP 121 Cb 0.56 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.45 1x0n n TRP 121 CO 0.00 0.00 0.00 1.33 -2.02 0.00 0.00 177.69 177.00 1x0n n VAL 122 N 0.00 0.00 -1.23 -0.99 0.24 -1.26 -5.11 118.33 109.98 1x0n n VAL 122 Ca 0.00 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 61.93 1x0n n VAL 122 Cb 0.00 -0.42 0.05 0.00 -1.47 0.00 0.00 33.84 32.01 1x0n n VAL 122 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 1x0n n VAL 123 N -2.35 1.23 -3.85 3.34 3.14 -1.06 -5.01 118.33 113.76 1x0n n VAL 123 Ca 0.00 -0.43 -0.12 0.00 -2.96 0.00 0.00 64.34 60.83 1x0n n VAL 123 Cb 0.00 -0.51 -0.13 0.00 -1.06 0.00 0.00 33.84 32.14 1x0n n VAL 123 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1x0n s LYS 124 N -2.33 0.15 0.28 1.45 1.02 -1.26 -2.79 119.74 116.25 1x0n s LYS 124 Ca 0.61 0.04 -0.13 0.00 0.02 0.00 0.00 55.97 56.51 1x0n s LYS 124 Cb -0.36 0.07 0.01 0.00 -0.52 0.00 0.00 37.83 37.02 1x0n s LYS 124 CO 0.62 -0.02 0.55 -0.06 -0.92 0.00 0.00 175.35 175.52 1x0n s PHE 125 N -0.16 0.36 -0.19 3.18 0.08 -0.73 -5.03 117.98 115.49 1x0n s PHE 125 Ca -0.02 -0.75 -0.08 0.00 0.12 0.00 0.00 56.93 56.20 1x0n s PHE 125 Cb -0.02 0.30 -0.21 0.00 -0.57 0.00 0.00 43.02 42.53 1x0n s PHE 125 CO 0.00 -1.12 0.09 0.09 -0.10 0.00 0.00 175.22 174.18 1x0n n ASN 126 N -0.67 2.02 -4.94 1.36 3.02 -1.26 -2.17 115.26 112.63 1x0n n ASN 126 Ca -0.02 0.16 -0.23 0.00 -0.03 0.00 0.00 54.58 54.46 1x0n n ASN 126 Cb 0.61 -0.75 0.01 0.00 -0.61 0.00 0.00 39.78 39.04 1x0n n ASN 126 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1x0n s SER 127 N -6.92 4.91 -0.01 6.41 1.04 -1.26 -4.19 113.70 113.68 1x0n s SER 127 Ca -0.29 -0.98 -0.14 0.00 0.48 0.00 0.00 55.95 55.02 1x0n s SER 127 Cb 0.08 0.10 -0.33 0.00 0.10 0.00 0.00 66.02 65.97 1x0n s SER 127 CO 0.66 -1.05 0.84 -0.07 0.98 0.00 0.00 173.24 174.59 1x0n h LEU 128 N 0.65 0.75 -1.63 2.42 3.38 -1.98 -3.31 115.31 115.58 1x0n h LEU 128 Ca -0.36 -0.93 0.25 0.00 0.09 0.00 0.00 57.88 56.93 1x0n h LEU 128 Cb 1.29 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.73 1x0n h LEU 128 CO 0.52 1.76 0.66 -1.13 0.09 0.00 0.00 178.44 180.33 1x0n h ASN 129 N 0.13 0.28 -0.15 -0.43 -1.24 -1.99 0.31 115.58 112.49 1x0n h ASN 129 Ca -0.30 0.04 -0.14 0.00 0.71 0.00 0.00 56.30 56.61 1x0n h ASN 129 Cb 2.14 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 41.17 1x0n h ASN 129 CO 0.23 0.09 -0.40 -0.33 -1.29 0.00 0.00 177.43 175.73 1x0n h GLU 130 N 0.27 0.69 0.34 6.67 4.39 -1.99 -2.48 114.58 122.47 1x0n h GLU 130 Ca 0.50 -0.36 -0.02 0.00 0.34 0.00 0.00 59.36 59.83 1x0n h GLU 130 Cb 1.50 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.17 1x0n h GLU 130 CO -0.15 0.97 -0.16 -0.07 -1.16 0.00 0.00 179.01 178.43 1x0n h LEU 131 N 0.56 -0.38 -1.07 1.33 4.07 -0.54 -1.91 115.31 117.38 1x0n h LEU 131 Ca 0.05 -0.17 0.17 0.00 0.08 0.00 0.00 57.88 58.01 1x0n h LEU 131 Cb 0.93 0.10 -0.10 0.00 1.08 0.00 0.00 40.66 42.68 1x0n h LEU 131 CO 0.08 0.03 0.62 -0.37 -1.08 0.00 0.00 178.44 177.72 1x0n h VAL 132 N -0.88 0.77 0.57 1.22 -1.51 -1.33 -1.36 116.25 113.72 1x0n h VAL 132 Ca -0.05 -0.27 -0.03 0.00 -1.23 0.00 0.00 66.70 65.12 1x0n h VAL 132 Cb 0.53 -0.10 0.01 0.00 -2.13 0.00 0.00 31.29 29.60 1x0n h VAL 132 CO 0.08 0.14 -0.27 0.44 -1.23 0.00 0.00 177.57 176.73 1x0n h ASP 133 N 0.79 -0.64 -0.90 4.19 5.19 -1.43 0.12 116.42 123.74 1x0n h ASP 133 Ca 0.54 0.02 0.25 0.00 -0.62 0.00 0.00 57.03 57.23 1x0n h ASP 133 Cb 0.80 0.17 -0.15 0.00 0.18 0.00 0.00 39.33 40.33 1x0n h ASP 133 CO -0.32 -0.36 0.26 0.22 -3.12 0.00 0.00 179.24 175.92 1x0n h TYR 134 N -0.97 0.38 0.00 4.55 5.03 -1.01 1.34 116.97 126.30 1x0n h TYR 134 Ca -0.08 0.05 -0.04 0.00 2.58 0.00 0.00 58.73 61.25 1x0n h TYR 134 Cb 0.58 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.83 1x0n h TYR 134 CO 0.04 -0.24 -0.17 0.45 -1.32 0.00 0.00 178.16 176.93 1x0n h HIS 135 N 0.19 0.00 -0.05 -3.82 3.86 -1.24 -1.71 115.15 112.39 1x0n h HIS 135 Ca 0.58 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.70 1x0n h HIS 135 Cb 1.21 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.67 1x0n h HIS 135 CO -0.25 0.17 -0.39 -0.09 0.86 0.00 0.00 177.93 178.23 1x0n h ARG 136 N 0.00 0.10 0.00 2.45 2.43 0.45 -3.11 114.38 116.70 1x0n h ARG 136 Ca -0.00 -0.04 -0.21 0.00 -0.81 0.00 0.00 59.98 58.91 1x0n h ARG 136 Cb 0.91 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.41 1x0n h ARG 136 CO 0.02 0.48 -2.02 -1.13 -1.51 0.00 0.00 179.97 175.81 1x0n n SER 137 N -4.06 0.23 -4.55 -3.80 3.41 -0.80 -4.05 113.62 100.00 1x0n n SER 137 Ca -0.02 0.10 -0.34 0.00 -0.26 0.00 0.00 58.87 58.36 1x0n n SER 137 Cb 0.44 1.05 -0.11 0.00 -0.26 0.00 0.00 64.21 65.32 1x0n n SER 137 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1x0n s THR 138 N -2.89 3.90 1.00 6.66 2.01 -0.65 -5.06 115.64 120.61 1x0n s THR 138 Ca -0.08 -0.37 -0.19 0.00 0.31 0.00 0.00 61.69 61.36 1x0n s THR 138 Cb 0.09 -2.67 -0.14 0.00 0.01 0.00 0.00 72.50 69.79 1x0n s THR 138 CO 0.85 0.54 -0.89 -1.54 -0.69 0.00 0.00 174.62 172.89 1x0n n SER 139 N 2.96 -4.96 0.00 3.53 3.41 -1.26 -4.49 113.62 112.81 1x0n n SER 139 Ca -0.18 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1x0n n SER 139 Cb 0.53 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 1x0n n SER 139 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1x0n n VAL 140 N -2.86 0.00 -3.00 -3.33 0.31 -1.24 -4.92 118.33 103.29 1x0n n VAL 140 Ca -0.01 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.92 1x0n n VAL 140 Cb 0.61 -0.15 -0.05 0.00 -0.91 0.00 0.00 33.84 33.34 1x0n n VAL 140 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1x0n s SER 141 N -2.34 7.23 -0.23 4.52 0.15 -1.26 -4.95 113.70 116.81 1x0n s SER 141 Ca 0.00 1.46 0.05 0.00 0.70 0.00 0.00 55.95 58.16 1x0n s SER 141 Cb 0.00 -2.46 0.46 0.00 -1.71 0.00 0.00 66.02 62.30 1x0n s SER 141 CO 0.00 0.06 1.46 0.54 1.20 0.00 0.00 173.24 176.50 1x0n n ARG 142 N 2.56 2.47 0.00 5.44 1.74 -1.26 -4.07 116.66 123.55 1x0n n ARG 142 Ca -0.03 -1.92 0.00 0.00 -0.77 0.00 0.00 57.85 55.12 1x0n n ARG 142 Cb 0.50 -1.84 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 1x0n n ARG 142 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1x0n n ASN 143 N -0.15 1.52 -4.41 0.55 2.85 -1.26 -5.12 115.26 109.24 1x0n n ASN 143 Ca 0.29 0.00 -0.21 0.00 -0.11 0.00 0.00 54.58 54.56 1x0n n ASN 143 Cb 1.08 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.99 1x0n n ASN 143 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 1x0n s GLN 144 N -1.69 1.61 -1.04 1.20 -0.44 -1.26 -5.09 119.66 112.94 1x0n s GLN 144 Ca 0.00 -1.89 -0.11 0.00 -2.50 0.00 0.00 55.36 50.86 1x0n s GLN 144 Cb 0.00 -0.72 0.25 0.00 -1.64 0.00 0.00 33.01 30.89 1x0n s GLN 144 CO 0.00 -0.22 1.06 1.14 0.50 0.00 0.00 175.29 177.77 1x0n s GLN 145 N -3.92 4.02 0.16 1.67 -2.07 -1.26 -4.47 119.66 113.79 1x0n s GLN 145 Ca 0.36 -2.92 0.06 0.00 -1.82 0.00 0.00 55.36 51.05 1x0n s GLN 145 Cb 0.08 -4.59 -0.04 0.00 -1.09 0.00 0.00 33.01 27.38 1x0n s GLN 145 CO 0.15 -1.32 -0.14 0.42 -1.32 0.00 0.00 175.29 173.08 1x0n s ILE 146 N -0.50 1.48 0.44 3.63 1.01 -1.26 -5.11 121.20 120.90 1x0n s ILE 146 Ca 0.29 -1.95 0.06 0.00 0.00 0.00 0.00 60.65 59.05 1x0n s ILE 146 Cb -0.09 -1.78 -0.05 0.00 0.01 0.00 0.00 42.46 40.55 1x0n s ILE 146 CO -0.08 -0.52 0.09 -0.36 0.00 0.00 0.00 174.94 174.08 1x0n s PHE 147 N -2.59 2.37 -0.45 3.97 0.08 -1.26 -3.61 117.98 116.49 1x0n s PHE 147 Ca 0.15 -0.70 -0.25 0.00 0.12 0.00 0.00 56.93 56.24 1x0n s PHE 147 Cb -0.02 -1.82 0.03 0.00 -0.57 0.00 0.00 43.02 40.63 1x0n s PHE 147 CO 0.04 0.26 0.92 -0.51 -0.10 0.00 0.00 175.22 175.83 1x0n s LEU 148 N -3.84 4.01 0.13 -0.37 1.43 -1.25 -4.52 118.68 114.27 1x0n s LEU 148 Ca 0.32 0.16 -0.27 0.00 -1.03 0.00 0.00 54.13 53.30 1x0n s LEU 148 Cb 0.06 -3.19 -0.07 0.00 0.03 0.00 0.00 46.19 43.01 1x0n s LEU 148 CO 0.17 -1.03 0.85 -0.13 0.23 0.00 0.00 176.35 176.44 1x0n s ARG 149 N 3.71 4.64 -0.36 1.70 1.81 0.42 -4.70 118.95 126.17 1x0n s ARG 149 Ca 0.37 1.27 -0.27 0.00 -1.72 0.00 0.00 55.73 55.37 1x0n s ARG 149 Cb -0.10 -3.32 -0.05 0.00 -0.45 0.00 0.00 34.95 31.03 1x0n s ARG 149 CO 0.25 0.40 2.20 0.34 -0.68 0.00 0.00 175.30 177.82 1x0n s ASP 150 N -0.59 5.13 0.60 0.23 2.15 -1.26 -2.89 116.67 120.03 1x0n s ASP 150 Ca 0.40 1.39 -0.20 0.00 0.43 0.00 0.00 52.55 54.58 1x0n s ASP 150 Cb -0.23 -2.51 -0.03 0.00 -0.30 0.00 0.00 42.92 39.85 1x0n s ASP 150 CO 0.27 -2.30 1.32 -0.51 -0.17 0.00 0.00 175.17 173.79 1x0n s ILE 151 N 9.60 2.07 -0.55 4.11 2.07 -1.26 -4.95 121.20 132.28 1x0n s ILE 151 Ca 0.94 0.04 -0.20 0.00 -1.41 0.00 0.00 60.65 60.02 1x0n s ILE 151 Cb -0.24 -3.02 0.07 0.00 0.13 0.00 0.00 42.46 39.40 1x0n s ILE 151 CO 0.30 -0.01 0.73 -1.61 -1.91 0.00 0.00 174.94 172.45 1x0n s GLU 152 N -3.17 3.13 0.26 3.50 0.41 -1.26 -4.75 118.70 116.83 1x0n s GLU 152 Ca 0.78 -0.89 -0.30 0.00 -0.41 0.00 0.00 54.97 54.14 1x0n s GLU 152 Cb -0.39 -4.15 -0.14 0.00 -1.78 0.00 0.00 34.13 27.68 1x0n s GLU 152 CO 0.43 -1.41 1.29 0.94 -0.49 0.00 0.00 175.26 176.02 1x0n n GLN 153 N 6.60 1.81 -1.48 1.61 -0.06 -1.26 -4.77 117.38 119.84 1x0n n GLN 153 Ca -0.06 0.64 -0.58 0.00 -2.00 0.00 0.00 57.00 55.01 1x0n n GLN 153 Cb 0.45 -2.22 -0.08 0.00 -4.06 0.00 0.00 30.24 24.33 1x0n n GLN 153 CO 0.00 0.00 0.00 1.55 -0.20 0.00 0.00 177.06 178.41 1x0n n VAL 154 N 1.30 0.00 -1.18 1.69 3.14 -1.26 -4.90 118.33 117.12 1x0n n VAL 154 Ca 0.11 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.19 1x0n n VAL 154 Cb 0.31 -0.14 0.16 0.00 -1.06 0.00 0.00 33.84 33.11 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 0.84 0.76 -0.45 1.45 0.04 -1.26 -5.04 135.00 131.33 1x0n s PRO 155 Ca 0.89 0.64 0.03 0.00 0.04 0.00 0.00 61.00 62.61 1x0n s PRO 155 Cb -1.25 -1.77 0.16 0.00 0.04 0.00 0.00 34.50 31.68 1x0n s PRO 155 CO 0.60 -2.54 0.32 -1.14 0.04 0.00 0.00 177.00 174.29 1x0n s GLN 156 N -4.95 1.15 -0.28 4.56 2.00 -1.26 -5.08 119.66 115.79 1x0n s GLN 156 Ca 0.65 -2.14 -0.18 0.00 -2.00 0.00 0.00 55.36 51.69 1x0n s GLN 156 Cb -0.18 -1.87 0.11 0.00 0.80 0.00 0.00 33.01 31.86 1x0n s GLN 156 CO 0.57 -1.30 0.84 -1.14 -0.50 0.00 0.00 175.29 173.77 1x0n s GLN 157 N 0.07 0.57 0.54 1.67 0.74 -1.26 -5.16 119.66 116.83 1x0n s GLN 157 Ca 0.26 0.91 -0.20 0.00 0.05 0.00 0.00 55.36 56.38 1x0n s GLN 157 Cb -0.08 0.16 -0.06 0.00 1.10 0.00 0.00 33.01 34.13 1x0n s GLN 157 CO -0.12 -0.11 1.13 -1.25 -0.55 0.00 0.00 175.29 174.39 1x0n s PRO 158 N 1.20 3.37 0.00 1.67 0.04 -1.26 -5.31 135.00 134.71 1x0n s PRO 158 Ca -0.07 1.61 0.18 0.00 0.04 0.00 0.00 61.00 62.77 1x0n s PRO 158 Cb -0.04 -2.01 0.14 0.00 0.04 0.00 0.00 34.50 32.62 1x0n s PRO 158 CO -0.14 -0.84 1.08 -2.37 0.04 0.00 0.00 177.00 174.77