#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 3.66 -0.03 -2.67 5.36 -1.26 -1.26 117.98 121.79 1x0n s PHE 61 Ca 0.00 0.98 0.04 0.00 -0.96 0.00 0.00 56.93 56.99 1x0n s PHE 61 Cb 0.00 -2.29 -0.00 0.00 -0.34 0.00 0.00 43.02 40.39 1x0n s PHE 61 CO 0.00 0.55 -0.14 -0.06 -1.46 0.00 0.00 175.22 174.10 1x0n s PHE 62 N -1.28 1.41 0.00 10.12 0.40 0.41 -4.94 117.98 124.09 1x0n s PHE 62 Ca 0.31 -0.36 0.00 0.00 -0.60 0.00 0.00 56.93 56.28 1x0n s PHE 62 Cb -0.16 -0.95 0.00 0.00 0.51 0.00 0.00 43.02 42.43 1x0n s PHE 62 CO 0.17 -0.11 0.00 0.41 0.70 0.00 0.00 175.22 176.39 1x0n n GLY 63 N 3.06 -1.47 3.14 4.36 0.00 -1.26 -2.53 105.19 110.50 1x0n n GLY 63 Ca -0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 1x0n n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x0n s LYS 64 N 0.00 2.13 -0.01 1.61 -0.14 -1.26 -2.27 119.74 119.79 1x0n s LYS 64 Ca 0.00 -1.65 0.00 0.00 -1.36 0.00 0.00 55.97 52.96 1x0n s LYS 64 Cb 0.00 -3.47 0.02 0.00 -1.68 0.00 0.00 37.83 32.70 1x0n s LYS 64 CO 0.00 -0.93 0.01 0.96 -0.76 0.00 0.00 175.35 174.63 1x0n s ILE 65 N 1.18 0.01 0.44 2.17 -5.25 -1.26 -5.06 121.20 113.43 1x0n s ILE 65 Ca 0.04 0.09 -0.24 0.00 -0.99 0.00 0.00 60.65 59.56 1x0n s ILE 65 Cb -0.22 -0.08 -0.08 0.00 2.95 0.00 0.00 42.46 45.03 1x0n s ILE 65 CO -0.03 0.06 1.17 -2.16 -1.79 0.00 0.00 174.94 172.19 1x0n s PRO 66 N 0.55 3.84 0.41 0.37 0.04 -1.26 -4.83 135.00 134.12 1x0n s PRO 66 Ca -0.05 1.81 0.27 0.00 0.04 0.00 0.00 61.00 63.07 1x0n s PRO 66 Cb -0.07 -2.49 1.40 0.00 0.04 0.00 0.00 34.50 33.38 1x0n s PRO 66 CO -0.01 -0.50 1.60 0.07 0.04 0.00 0.00 177.00 178.20 1x0n h ARG 67 N 2.22 0.06 0.56 4.56 0.11 -2.01 0.25 114.38 120.13 1x0n h ARG 67 Ca -0.49 -0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.56 1x0n h ARG 67 Cb 1.24 -0.01 -0.00 0.00 1.11 0.00 0.00 29.97 32.31 1x0n h ARG 67 CO 0.61 0.04 -0.33 0.00 0.10 0.00 0.00 179.97 180.39 1x0n h ALA 68 N 1.73 -0.84 -0.71 0.08 0.00 -2.00 -2.13 119.26 115.39 1x0n h ALA 68 Ca 0.84 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 55.74 1x0n h ALA 68 Cb 2.49 0.39 -0.11 0.00 0.00 0.00 0.00 17.79 20.56 1x0n h ALA 68 CO -0.54 -0.98 0.12 -0.22 0.00 0.00 0.00 179.25 177.63 1x0n h LYS 69 N -0.83 0.21 0.10 0.00 1.63 -0.85 -1.42 116.57 115.41 1x0n h LYS 69 Ca -0.07 -0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.74 1x0n h LYS 69 Cb 0.67 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.22 1x0n h LYS 69 CO 0.08 0.14 -0.24 0.00 -3.45 0.00 0.00 179.45 175.98 1x0n h ALA 70 N 1.61 -0.39 -1.02 5.00 0.00 -1.24 -0.56 119.26 122.65 1x0n h ALA 70 Ca 0.40 -0.03 0.26 0.00 0.00 0.00 0.00 54.91 55.54 1x0n h ALA 70 Cb 0.67 0.39 -0.08 0.00 0.00 0.00 0.00 17.79 18.77 1x0n h ALA 70 CO -0.53 -0.77 0.68 0.93 0.00 0.00 0.00 179.25 179.57 1x0n h GLU 71 N -0.43 0.30 -0.06 0.00 5.08 -0.60 0.24 114.58 119.12 1x0n h GLU 71 Ca 0.03 -0.02 -0.24 0.00 -1.00 0.00 0.00 59.36 58.13 1x0n h GLU 71 Cb 0.46 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.66 1x0n h GLU 71 CO -0.15 0.20 -0.92 0.93 -1.00 0.00 0.00 179.01 178.07 1x0n h GLU 72 N 0.31 0.70 -0.19 2.33 4.39 -0.77 -0.83 114.58 120.51 1x0n h GLU 72 Ca 0.55 -0.67 -0.07 0.00 0.34 0.00 0.00 59.36 59.51 1x0n h GLU 72 Cb 1.57 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 30.37 1x0n h GLU 72 CO -0.21 1.27 -0.20 0.52 -1.16 0.00 0.00 179.01 179.23 1x0n h MET 73 N 0.43 0.34 0.17 2.33 2.86 0.89 -0.97 114.93 120.98 1x0n h MET 73 Ca -0.09 -0.10 -0.24 0.00 -2.06 0.00 0.00 59.70 57.21 1x0n h MET 73 Cb 1.56 -0.03 0.02 0.00 0.06 0.00 0.00 31.60 33.21 1x0n h MET 73 CO 0.18 0.53 -1.08 -0.07 1.06 0.00 0.00 176.91 177.53 1x0n h LEU 74 N 0.31 0.55 -0.65 1.22 3.38 -0.98 -3.32 115.31 115.82 1x0n h LEU 74 Ca 0.05 -0.93 -0.01 0.00 0.09 0.00 0.00 57.88 57.08 1x0n h LEU 74 Cb 0.53 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1x0n h LEU 74 CO 0.04 1.51 0.36 -1.28 0.09 0.00 0.00 178.44 179.16 1x0n h SER 75 N -0.23 0.80 -0.16 -0.43 0.87 -1.07 -1.66 113.55 111.68 1x0n h SER 75 Ca -0.20 -0.09 0.05 0.00 -1.23 0.00 0.00 61.79 60.32 1x0n h SER 75 Cb 1.79 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 63.54 1x0n h SER 75 CO 0.17 0.66 0.23 0.07 -0.53 0.00 0.00 176.83 177.43 1x0n h LYS 76 N 0.88 0.00 -7.26 2.24 2.10 -1.30 -3.42 116.57 109.81 1x0n h LYS 76 Ca 0.23 0.00 -0.46 0.00 -2.00 0.00 0.00 60.65 58.41 1x0n h LYS 76 Cb 0.03 0.00 0.18 0.00 -0.90 0.00 0.00 32.23 31.54 1x0n h LYS 76 CO -0.04 0.00 0.14 -0.65 -2.00 0.00 0.00 179.45 176.91 1x0n s GLN 77 N -4.50 0.21 -0.21 0.07 -1.52 -0.62 -5.00 119.66 108.10 1x0n s GLN 77 Ca -0.04 0.84 0.08 0.00 -1.95 0.00 0.00 55.36 54.29 1x0n s GLN 77 Cb 0.14 -1.69 -0.18 0.00 -0.22 0.00 0.00 33.01 31.06 1x0n s GLN 77 CO 0.49 -2.97 -0.08 0.54 -0.25 0.00 0.00 175.29 173.03 1x0n n ARG 78 N -4.39 0.81 -0.28 2.91 5.12 -1.26 -5.00 116.66 114.57 1x0n n ARG 78 Ca 0.06 0.07 -0.12 0.00 -1.93 0.00 0.00 57.85 55.92 1x0n n ARG 78 Cb 0.55 -1.46 0.11 0.00 -1.16 0.00 0.00 32.46 30.50 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 -2.93 -3.08 -3.82 -1.55 8.25 -1.26 -5.05 115.22 105.78 1x0n n HIS 79 Ca -0.35 -0.37 -0.28 0.00 -0.26 0.00 0.00 57.72 56.46 1x0n n HIS 79 Cb 1.00 -0.47 -0.16 0.00 1.12 0.00 0.00 29.99 31.48 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 -2.58 2.89 0.00 0.41 1.01 -1.26 -4.78 116.67 112.37 1x0n s ASP 80 Ca 0.28 -0.75 0.00 0.00 0.71 0.00 0.00 52.55 52.78 1x0n s ASP 80 Cb -0.04 -0.76 0.00 0.00 1.01 0.00 0.00 42.92 43.13 1x0n s ASP 80 CO 0.22 -0.25 0.00 0.61 0.21 0.00 0.00 175.17 175.96 1x0n n GLY 81 N 4.95 1.80 3.74 0.21 0.00 -1.19 -4.57 105.19 110.13 1x0n n GLY 81 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1x0n n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x0n n ALA 82 N -0.60 2.38 -2.62 4.61 0.00 -1.26 -0.42 120.51 122.60 1x0n n ALA 82 Ca 0.00 0.37 -0.30 0.00 0.00 0.00 0.00 53.44 53.51 1x0n n ALA 82 Cb 0.00 -2.44 -0.09 0.00 0.00 0.00 0.00 19.45 16.92 1x0n n ALA 82 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1x0n s PHE 83 N -0.12 2.85 -0.27 0.00 -0.71 -1.14 -1.94 117.98 116.65 1x0n s PHE 83 Ca 0.63 -0.09 -0.05 0.00 -1.04 0.00 0.00 56.93 56.38 1x0n s PHE 83 Cb -0.51 -1.49 0.14 0.00 -1.21 0.00 0.00 43.02 39.96 1x0n s PHE 83 CO 0.50 0.44 0.54 -1.17 -1.34 0.00 0.00 175.22 174.20 1x0n s LEU 84 N -2.18 -1.05 -0.26 -1.99 0.20 -0.41 -4.38 118.68 108.61 1x0n s LEU 84 Ca 0.23 0.98 -0.20 0.00 0.69 0.00 0.00 54.13 55.83 1x0n s LEU 84 Cb -0.11 1.87 -0.02 0.00 -0.43 0.00 0.00 46.19 47.49 1x0n s LEU 84 CO 0.15 -0.25 0.60 -0.63 -0.29 0.00 0.00 176.35 175.93 1x0n s ILE 85 N 2.77 5.00 0.13 6.68 1.01 -0.39 -0.54 121.20 135.86 1x0n s ILE 85 Ca 0.08 1.04 0.07 0.00 0.00 0.00 0.00 60.65 61.83 1x0n s ILE 85 Cb -0.14 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 1x0n s ILE 85 CO -0.18 0.03 -0.03 0.00 0.00 0.00 0.00 174.94 174.76 1x0n s ARG 86 N 2.46 2.37 -0.18 2.79 1.70 0.31 -0.45 118.95 127.95 1x0n s ARG 86 Ca 0.25 -1.01 -0.06 0.00 -0.47 0.00 0.00 55.73 54.43 1x0n s ARG 86 Cb -0.15 -2.39 -0.04 0.00 -0.57 0.00 0.00 34.95 31.80 1x0n s ARG 86 CO 0.09 0.49 0.03 -2.00 -1.08 0.00 0.00 175.30 172.83 1x0n s GLU 87 N -2.59 3.86 0.34 3.89 2.12 -0.96 -2.09 118.70 123.27 1x0n s GLU 87 Ca 0.25 -0.41 -0.29 0.00 0.36 0.00 0.00 54.97 54.89 1x0n s GLU 87 Cb -0.10 -3.14 -0.11 0.00 0.26 0.00 0.00 34.13 31.04 1x0n s GLU 87 CO 0.17 0.23 1.43 -1.12 -0.54 0.00 0.00 175.26 175.43 1x0n s SER 88 N 0.47 6.53 0.02 -1.70 0.01 -1.17 -4.36 113.70 113.49 1x0n s SER 88 Ca 0.01 2.87 -0.09 0.00 1.31 0.00 0.00 55.95 60.05 1x0n s SER 88 Cb -0.13 -2.65 -0.31 0.00 0.21 0.00 0.00 66.02 63.13 1x0n s SER 88 CO 0.01 -0.74 0.93 1.05 0.41 0.00 0.00 173.24 174.90 1x0n h GLU 89 N 3.56 0.39 0.00 12.44 4.11 -1.95 -3.30 114.58 129.83 1x0n h GLU 89 Ca -0.49 -0.66 0.00 0.00 0.07 0.00 0.00 59.36 58.28 1x0n h GLU 89 Cb 1.23 0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.73 1x0n h GLU 89 CO 0.68 1.29 -0.32 -1.13 0.07 0.00 0.00 179.01 179.60 1x0n n SER 90 N -3.59 0.40 -3.78 3.06 3.41 -1.26 -4.56 113.62 107.30 1x0n n SER 90 Ca -0.17 0.12 -0.30 0.00 -0.26 0.00 0.00 58.87 58.27 1x0n n SER 90 Cb 1.07 -0.09 -0.14 0.00 -0.26 0.00 0.00 64.21 64.79 1x0n n SER 90 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x0n s ALA 91 N -3.04 2.12 0.23 7.33 0.00 -1.24 -5.11 121.76 122.04 1x0n s ALA 91 Ca 0.11 -2.31 -0.30 0.00 0.00 0.00 0.00 51.96 49.46 1x0n s ALA 91 Cb 0.17 -1.83 -0.09 0.00 0.00 0.00 0.00 23.12 21.37 1x0n s ALA 91 CO 0.64 -1.87 1.28 -1.25 0.00 0.00 0.00 175.76 174.56 1x0n s PRO 92 N 0.83 4.41 0.00 0.00 0.04 -1.26 -3.03 135.00 135.99 1x0n s PRO 92 Ca 0.14 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.23 1x0n s PRO 92 Cb -0.21 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1x0n s PRO 92 CO -0.10 -0.19 0.00 0.41 0.04 0.00 0.00 177.00 177.16 1x0n n GLY 93 N 2.00 0.45 3.38 0.56 0.00 -1.26 -5.04 105.19 105.28 1x0n n GLY 93 Ca 0.04 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.86 1x0n n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x0n s ASP 94 N -2.78 4.51 -0.09 1.61 1.11 -1.17 -5.04 116.67 114.82 1x0n s ASP 94 Ca 0.00 -0.30 -0.01 0.00 0.18 0.00 0.00 52.55 52.42 1x0n s ASP 94 Cb 0.00 -1.77 -0.03 0.00 1.07 0.00 0.00 42.92 42.19 1x0n s ASP 94 CO 0.00 0.03 -0.04 -0.36 1.18 0.00 0.00 175.17 175.98 1x0n s PHE 95 N 1.17 3.02 -0.02 4.23 0.08 -1.26 -3.07 117.98 122.12 1x0n s PHE 95 Ca 0.02 -0.02 -0.00 0.00 0.12 0.00 0.00 56.93 57.05 1x0n s PHE 95 Cb -0.14 -1.79 0.03 0.00 -0.57 0.00 0.00 43.02 40.54 1x0n s PHE 95 CO -0.00 0.27 0.03 -1.54 -0.10 0.00 0.00 175.22 173.88 1x0n s SER 96 N -0.53 0.20 -0.01 1.36 1.04 -0.89 -2.44 113.70 112.44 1x0n s SER 96 Ca 0.08 0.04 -0.17 0.00 0.48 0.00 0.00 55.95 56.39 1x0n s SER 96 Cb -0.12 -0.08 -0.06 0.00 0.10 0.00 0.00 66.02 65.86 1x0n s SER 96 CO 0.02 -0.14 0.46 -0.22 0.98 0.00 0.00 173.24 174.34 1x0n s LEU 97 N 1.20 4.44 -0.23 2.42 1.98 -0.83 -0.53 118.68 127.13 1x0n s LEU 97 Ca -0.07 1.00 0.01 0.00 -2.89 0.00 0.00 54.13 52.17 1x0n s LEU 97 Cb -0.13 -2.68 0.06 0.00 0.66 0.00 0.00 46.19 44.10 1x0n s LEU 97 CO -0.03 0.24 -0.06 -0.55 -1.89 0.00 0.00 176.35 174.06 1x0n s SER 98 N -0.71 3.75 -0.00 3.68 0.15 0.29 -0.62 113.70 120.24 1x0n s SER 98 Ca 0.25 -1.12 0.02 0.00 0.70 0.00 0.00 55.95 55.81 1x0n s SER 98 Cb -0.17 -1.18 -0.03 0.00 -1.71 0.00 0.00 66.02 62.93 1x0n s SER 98 CO 0.14 -0.22 -0.03 -0.69 1.20 0.00 0.00 173.24 173.64 1x0n s VAL 99 N 1.40 3.96 -0.16 4.45 1.01 -0.30 -1.29 120.40 129.46 1x0n s VAL 99 Ca -0.05 -0.66 -0.14 0.00 0.00 0.00 0.00 61.98 61.13 1x0n s VAL 99 Cb -0.18 -2.75 -0.05 0.00 0.00 0.00 0.00 36.38 33.40 1x0n s VAL 99 CO -0.06 0.39 0.28 -0.75 0.00 0.00 0.00 175.10 174.96 1x0n s LYS 100 N -1.49 4.25 -0.43 2.72 2.20 -0.82 -0.39 119.74 125.79 1x0n s LYS 100 Ca 0.18 0.07 0.02 0.00 -0.36 0.00 0.00 55.97 55.89 1x0n s LYS 100 Cb -0.11 -3.43 0.13 0.00 -1.51 0.00 0.00 37.83 32.90 1x0n s LYS 100 CO 0.09 0.23 0.20 -0.06 -0.36 0.00 0.00 175.35 175.46 1x0n s PHE 101 N 0.49 2.45 0.00 4.03 0.08 0.78 -3.14 117.98 122.68 1x0n s PHE 101 Ca 0.16 -2.60 0.00 0.00 0.12 0.00 0.00 56.93 54.61 1x0n s PHE 101 Cb -0.13 -2.22 0.00 0.00 -0.57 0.00 0.00 43.02 40.10 1x0n s PHE 101 CO 0.03 -0.80 0.00 0.41 -0.10 0.00 0.00 175.22 174.76 1x0n n GLY 102 N 3.68 1.14 1.15 4.36 0.00 -1.26 -0.26 105.19 114.00 1x0n n GLY 102 Ca 0.06 0.47 0.08 0.00 0.00 0.00 0.00 46.02 46.63 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 10.80 4.06 -3.75 1.61 4.13 -1.26 -4.91 115.26 125.94 1x0n n ASN 103 Ca 0.00 -2.49 -0.18 0.00 1.68 0.00 0.00 54.58 53.58 1x0n n ASN 103 Cb 0.00 -0.48 -0.17 0.00 -1.54 0.00 0.00 39.78 37.59 1x0n n ASN 103 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1x0n s ASP 104 N -1.21 0.77 -0.26 6.41 1.01 0.64 -5.13 116.67 118.90 1x0n s ASP 104 Ca 0.41 0.02 -0.13 0.00 0.71 0.00 0.00 52.55 53.57 1x0n s ASP 104 Cb 0.28 -0.19 -0.04 0.00 1.01 0.00 0.00 42.92 43.98 1x0n s ASP 104 CO 0.18 -0.17 0.27 -0.69 0.21 0.00 0.00 175.17 174.96 1x0n s VAL 105 N 1.59 5.26 0.48 -1.27 1.01 -1.26 -0.15 120.40 126.06 1x0n s VAL 105 Ca -0.02 0.36 0.08 0.00 0.00 0.00 0.00 61.98 62.40 1x0n s VAL 105 Cb -0.13 -3.60 0.03 0.00 0.00 0.00 0.00 36.38 32.68 1x0n s VAL 105 CO -0.03 0.23 0.59 -1.10 0.00 0.00 0.00 175.10 174.79 1x0n s GLN 106 N 1.72 2.54 0.16 2.72 -0.21 0.48 -4.95 119.66 122.12 1x0n s GLN 106 Ca 0.11 -1.51 -0.12 0.00 0.02 0.00 0.00 55.36 53.86 1x0n s GLN 106 Cb -0.15 -2.58 0.01 0.00 1.00 0.00 0.00 33.01 31.28 1x0n s GLN 106 CO 0.09 -0.48 0.35 -1.01 -2.12 0.00 0.00 175.29 172.12 1x0n s HIS 107 N -2.52 0.16 -0.07 0.91 3.76 -1.26 -1.15 115.29 115.12 1x0n s HIS 107 Ca 0.54 -0.53 -0.03 0.00 -0.15 0.00 0.00 55.06 54.89 1x0n s HIS 107 Cb -0.06 0.09 0.04 0.00 1.11 0.00 0.00 32.58 33.76 1x0n s HIS 107 CO 0.33 -0.75 0.09 -0.06 -0.85 0.00 0.00 174.74 173.50 1x0n s PHE 108 N -3.91 0.02 -0.51 1.40 0.40 0.20 -4.98 117.98 110.60 1x0n s PHE 108 Ca 0.12 0.25 -0.27 0.00 -0.60 0.00 0.00 56.93 56.43 1x0n s PHE 108 Cb 0.02 -0.46 -0.01 0.00 0.51 0.00 0.00 43.02 43.08 1x0n s PHE 108 CO -0.04 -0.26 1.76 0.15 0.70 0.00 0.00 175.22 177.53 1x0n s LYS 109 N 2.20 2.98 0.07 0.44 1.02 -1.26 -1.97 119.74 123.21 1x0n s LYS 109 Ca 0.04 0.84 -0.31 0.00 0.02 0.00 0.00 55.97 56.57 1x0n s LYS 109 Cb -0.13 -4.28 -0.08 0.00 -0.52 0.00 0.00 37.83 32.83 1x0n s LYS 109 CO -0.05 -2.30 1.60 0.08 -0.92 0.00 0.00 175.35 173.76 1x0n s VAL 110 N 7.83 3.11 0.02 3.17 1.01 -1.02 -4.97 120.40 129.55 1x0n s VAL 110 Ca 0.68 0.59 -0.19 0.00 0.00 0.00 0.00 61.98 63.05 1x0n s VAL 110 Cb -0.15 -3.38 -0.06 0.00 0.00 0.00 0.00 36.38 32.79 1x0n s VAL 110 CO 0.26 0.00 0.56 -0.76 0.00 0.00 0.00 175.10 175.16 1x0n s LEU 111 N 2.44 4.46 0.03 3.92 2.01 -0.52 -4.63 118.68 126.39 1x0n s LEU 111 Ca 0.72 1.17 0.03 0.00 0.01 0.00 0.00 54.13 56.05 1x0n s LEU 111 Cb -0.39 -2.87 -0.02 0.00 0.01 0.00 0.00 46.19 42.92 1x0n s LEU 111 CO 0.31 0.18 -0.08 0.00 1.01 0.00 0.00 176.35 177.77 1x0n s ARG 112 N -0.57 0.59 0.40 1.70 1.70 -1.26 -0.65 118.95 120.86 1x0n s ARG 112 Ca 0.29 -0.58 0.01 0.00 -0.47 0.00 0.00 55.73 54.99 1x0n s ARG 112 Cb -0.18 -0.48 0.08 0.00 -0.57 0.00 0.00 34.95 33.79 1x0n s ARG 112 CO 0.17 0.11 0.55 -3.47 -1.08 0.00 0.00 175.30 171.59 1x0n n ASP 113 N 2.03 0.89 -1.83 -2.89 -0.08 -1.03 -4.98 116.55 108.66 1x0n n ASP 113 Ca -0.19 -1.72 -0.15 0.00 -1.51 0.00 0.00 54.79 51.22 1x0n n ASP 113 Cb 0.56 -0.35 0.04 0.00 2.34 0.00 0.00 41.12 43.72 1x0n n ASP 113 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x0n n GLY 114 N 0.62 3.90 0.72 0.27 0.00 -1.26 -3.95 105.19 105.49 1x0n n GLY 114 Ca 0.10 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 0.30 2.42 0.00 4.61 0.00 -1.26 -5.06 120.51 121.52 1x0n n ALA 115 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1x0n n ALA 115 Cb 0.65 0.14 0.00 0.00 0.00 0.00 0.00 19.45 20.24 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 2.02 0.32 3.47 0.00 0.00 -1.25 -5.16 105.19 104.58 1x0n n GLY 116 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 1.71 0.10 1.61 1.02 -1.26 -4.62 119.74 118.30 1x0n s LYS 117 Ca 0.00 -1.31 0.08 0.00 0.02 0.00 0.00 55.97 54.75 1x0n s LYS 117 Cb 0.00 -2.02 -0.03 0.00 -0.52 0.00 0.00 37.83 35.26 1x0n s LYS 117 CO 0.00 0.45 -0.20 0.71 -0.92 0.00 0.00 175.35 175.38 1x0n s TYR 118 N -1.38 1.73 0.09 3.18 1.51 -0.70 -2.46 117.35 119.31 1x0n s TYR 118 Ca 0.19 -0.42 -0.18 0.00 -1.01 0.00 0.00 57.07 55.65 1x0n s TYR 118 Cb -0.09 -0.95 0.06 0.00 -0.11 0.00 0.00 41.96 40.87 1x0n s TYR 118 CO 0.10 0.19 0.86 1.97 -1.11 0.00 0.00 175.55 177.56 1x0n n PHE 119 N 1.08 -0.90 0.00 2.71 -1.74 0.17 -1.81 117.46 116.97 1x0n n PHE 119 Ca -0.19 -0.84 0.00 0.00 -0.56 0.00 0.00 57.45 55.86 1x0n n PHE 119 Cb 0.54 0.40 0.00 0.00 1.52 0.00 0.00 39.48 41.94 1x0n n PHE 119 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 1x0n n LEU 120 N 0.00 0.00 0.00 5.98 4.32 -1.16 -1.44 117.00 124.70 1x0n n LEU 120 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1x0n n LEU 120 Cb 0.45 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.25 1x0n n LEU 120 CO 0.15 0.00 0.09 -2.67 -1.22 0.00 0.00 177.39 173.74 1x0n n TRP 121 N 0.00 0.00 0.00 -1.77 2.14 -1.26 -4.90 117.44 111.65 1x0n n TRP 121 Ca 0.00 -0.02 0.00 0.00 2.07 0.00 0.00 57.50 59.55 1x0n n TRP 121 Cb 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.50 1x0n n TRP 121 CO 0.00 0.00 0.00 0.28 2.07 0.00 0.00 177.69 180.04 1x0n n VAL 122 N -0.02 0.00 -2.62 -1.67 0.31 -1.26 -5.12 118.33 107.95 1x0n n VAL 122 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.01 1x0n n VAL 122 Cb 0.25 -0.01 -0.05 0.00 -0.91 0.00 0.00 33.84 33.13 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 -0.72 4.53 -0.09 2.52 0.11 -1.26 -5.08 120.40 120.41 1x0n s VAL 123 Ca 0.00 1.21 -0.26 0.00 -2.93 0.00 0.00 61.98 59.99 1x0n s VAL 123 Cb 0.00 -3.68 0.06 0.00 -1.53 0.00 0.00 36.38 31.23 1x0n s VAL 123 CO 0.00 -0.53 0.61 -1.59 -3.33 0.00 0.00 175.10 170.26 1x0n s LYS 124 N -3.72 0.93 0.37 1.54 0.00 -1.26 -2.98 119.74 114.62 1x0n s LYS 124 Ca 0.59 0.33 -0.08 0.00 0.00 0.00 0.00 55.97 56.81 1x0n s LYS 124 Cb -0.10 0.44 0.03 0.00 0.00 0.00 0.00 37.83 38.20 1x0n s LYS 124 CO 0.25 -0.25 0.63 -0.06 0.00 0.00 0.00 175.35 175.92 1x0n s PHE 125 N -0.87 0.67 -0.16 1.78 0.08 -0.75 -5.02 117.98 113.70 1x0n s PHE 125 Ca -0.09 -1.11 -0.20 0.00 0.12 0.00 0.00 56.93 55.65 1x0n s PHE 125 Cb -0.02 0.34 -0.17 0.00 -0.57 0.00 0.00 43.02 42.60 1x0n s PHE 125 CO 0.07 -1.36 0.34 -2.95 -0.10 0.00 0.00 175.22 171.22 1x0n h ASN 126 N 2.04 0.00 -2.68 1.36 7.08 -1.86 -1.87 115.58 119.66 1x0n h ASN 126 Ca -0.30 -0.56 -0.45 0.00 -3.08 0.00 0.00 56.30 51.91 1x0n h ASN 126 Cb 1.24 0.00 0.06 0.00 -2.08 0.00 0.00 38.32 37.54 1x0n h ASN 126 CO 0.40 1.11 0.03 -0.94 -2.08 0.00 0.00 177.43 175.96 1x0n s SER 127 N -6.34 5.04 -0.07 6.14 1.04 -1.26 -4.09 113.70 114.16 1x0n s SER 127 Ca -0.20 0.01 -0.18 0.00 0.48 0.00 0.00 55.95 56.06 1x0n s SER 127 Cb 0.02 -0.78 -0.30 0.00 0.10 0.00 0.00 66.02 65.06 1x0n s SER 127 CO 0.51 -1.34 0.72 -0.07 0.98 0.00 0.00 173.24 174.04 1x0n h LEU 128 N -0.15 0.46 -0.97 2.42 3.38 -1.94 -3.33 115.31 115.18 1x0n h LEU 128 Ca -0.42 -0.90 0.22 0.00 0.09 0.00 0.00 57.88 56.87 1x0n h LEU 128 Cb 1.30 -0.15 -0.12 0.00 0.09 0.00 0.00 40.66 41.78 1x0n h LEU 128 CO 0.52 1.55 0.55 -1.13 0.09 0.00 0.00 178.44 180.01 1x0n h ASN 129 N -0.28 0.63 -0.16 -0.43 -1.24 -2.00 0.43 115.58 112.53 1x0n h ASN 129 Ca -0.24 0.13 -0.03 0.00 0.71 0.00 0.00 56.30 56.86 1x0n h ASN 129 Cb 1.76 0.03 -0.01 0.00 0.73 0.00 0.00 38.32 40.82 1x0n h ASN 129 CO 0.11 0.14 0.02 -0.33 -1.29 0.00 0.00 177.43 176.08 1x0n h GLU 130 N 0.60 0.38 0.40 6.67 5.08 -1.99 -2.15 114.58 123.57 1x0n h GLU 130 Ca 0.59 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.87 1x0n h GLU 130 Cb 1.05 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1x0n h GLU 130 CO -0.45 0.40 -0.19 -0.07 -1.00 0.00 0.00 179.01 177.70 1x0n h LEU 131 N 0.38 -0.45 -1.93 1.33 4.07 -0.27 -2.76 115.31 115.68 1x0n h LEU 131 Ca 0.09 0.02 0.25 0.00 0.08 0.00 0.00 57.88 58.31 1x0n h LEU 131 Cb 0.23 0.12 -0.03 0.00 1.08 0.00 0.00 40.66 42.05 1x0n h LEU 131 CO 0.00 -0.14 0.69 -0.37 -1.08 0.00 0.00 178.44 177.54 1x0n h VAL 132 N -0.89 0.43 0.49 1.22 -1.51 -1.37 0.17 116.25 114.80 1x0n h VAL 132 Ca -0.05 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.39 1x0n h VAL 132 Cb 0.41 0.50 0.00 0.00 -2.13 0.00 0.00 31.29 30.07 1x0n h VAL 132 CO 0.09 0.00 -0.24 -0.78 -1.23 0.00 0.00 177.57 175.41 1x0n h ASP 133 N 0.00 -0.56 0.25 4.19 3.58 -1.36 0.14 116.42 122.66 1x0n h ASP 133 Ca 0.41 -0.07 -0.06 0.00 0.42 0.00 0.00 57.03 57.73 1x0n h ASP 133 Cb 1.79 0.14 -0.01 0.00 1.72 0.00 0.00 39.33 42.97 1x0n h ASP 133 CO -0.00 -0.17 -0.27 0.22 -2.88 0.00 0.00 179.24 176.14 1x0n h TYR 134 N -1.04 0.05 -0.11 0.28 5.03 -0.93 -1.37 116.97 118.88 1x0n h TYR 134 Ca -0.07 -0.01 -0.22 0.00 2.58 0.00 0.00 58.73 61.01 1x0n h TYR 134 Cb 0.59 -0.01 0.01 0.00 1.55 0.00 0.00 36.73 38.86 1x0n h TYR 134 CO 0.01 0.32 -0.81 0.45 -1.32 0.00 0.00 178.16 176.81 1x0n h HIS 135 N 0.04 0.94 0.00 -3.82 3.86 -0.71 -0.27 115.15 115.20 1x0n h HIS 135 Ca 0.01 -0.43 0.00 0.00 -1.16 0.00 0.00 60.37 58.78 1x0n h HIS 135 Cb 0.51 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.84 1x0n h HIS 135 CO 0.00 1.25 0.00 0.07 0.86 0.00 0.00 177.93 180.11 1x0n h ARG 136 N 0.46 0.00 0.00 2.45 0.11 -0.41 -3.04 114.38 113.94 1x0n h ARG 136 Ca -0.06 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.02 1x0n h ARG 136 Cb 1.43 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.51 1x0n h ARG 136 CO 0.16 0.00 -1.40 0.43 0.10 0.00 0.00 179.97 179.26 1x0n n SER 137 N -2.85 0.52 -4.30 0.08 7.64 -0.54 -3.83 113.62 110.34 1x0n n SER 137 Ca 0.03 -0.41 -0.23 0.00 1.01 0.00 0.00 58.87 59.28 1x0n n SER 137 Cb 0.41 1.33 -0.12 0.00 -1.01 0.00 0.00 64.21 64.83 1x0n n SER 137 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1x0n s THR 138 N -3.25 1.72 0.97 0.44 -1.32 -0.12 -5.06 115.64 109.01 1x0n s THR 138 Ca 0.01 -1.69 -0.17 0.00 -1.21 0.00 0.00 61.69 58.63 1x0n s THR 138 Cb 0.15 -1.65 -0.14 0.00 -1.51 0.00 0.00 72.50 69.34 1x0n s THR 138 CO 0.87 -0.18 -0.74 -1.54 -2.21 0.00 0.00 174.62 170.82 1x0n n SER 139 N 0.75 -5.81 0.00 8.08 3.41 -1.26 -4.65 113.62 114.14 1x0n n SER 139 Ca -0.17 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1x0n n SER 139 Cb 0.55 -0.78 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 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 -2.48 0.00 -2.99 -3.33 0.31 -1.25 -4.92 118.33 103.69 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 0.55 -0.17 -0.05 0.00 -0.91 0.00 0.00 33.84 33.27 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 -3.62 7.20 -0.08 4.52 0.15 -1.26 -4.94 113.70 115.66 1x0n s SER 141 Ca 0.00 1.43 0.03 0.00 0.70 0.00 0.00 55.95 58.11 1x0n s SER 141 Cb 0.00 -2.46 0.22 0.00 -1.71 0.00 0.00 66.02 62.06 1x0n s SER 141 CO 0.00 0.00 0.97 0.54 1.20 0.00 0.00 173.24 175.95 1x0n n ARG 142 N 2.88 1.87 0.02 5.44 1.74 -1.26 -3.95 116.66 123.41 1x0n n ARG 142 Ca -0.02 -0.86 0.00 0.00 -0.77 0.00 0.00 57.85 56.19 1x0n n ARG 142 Cb 0.50 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 30.34 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 0.14 0.30 -1.67 0.55 2.85 -1.26 -5.13 115.26 111.04 1x0n n ASN 143 Ca 0.10 0.07 0.00 0.00 -0.11 0.00 0.00 54.58 54.64 1x0n n ASN 143 Cb 0.61 -0.07 0.00 0.00 1.24 0.00 0.00 39.78 41.56 1x0n n ASN 143 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 1x0n n GLN 144 N -3.11 1.50 -3.74 1.20 -0.06 -1.25 -5.11 117.38 106.80 1x0n n GLN 144 Ca 0.00 0.00 -0.37 0.00 -2.00 0.00 0.00 57.00 54.63 1x0n n GLN 144 Cb 0.28 0.00 -0.11 0.00 -4.06 0.00 0.00 30.24 26.35 1x0n n GLN 144 CO 0.00 0.00 0.00 1.14 -0.20 0.00 0.00 177.06 178.00 1x0n s GLN 145 N -1.90 2.23 0.05 3.69 -2.07 -1.26 -4.46 119.66 115.94 1x0n s GLN 145 Ca 0.00 -2.08 0.03 0.00 -1.82 0.00 0.00 55.36 51.49 1x0n s GLN 145 Cb 0.00 -3.66 -0.03 0.00 -1.09 0.00 0.00 33.01 28.24 1x0n s GLN 145 CO 0.00 -1.12 -0.09 0.42 -1.32 0.00 0.00 175.29 173.18 1x0n s ILE 146 N 0.71 0.68 0.35 3.63 1.01 -1.26 -5.09 121.20 121.24 1x0n s ILE 146 Ca 0.11 -1.20 0.08 0.00 0.00 0.00 0.00 60.65 59.65 1x0n s ILE 146 Cb -0.22 -0.80 -0.05 0.00 0.01 0.00 0.00 42.46 41.41 1x0n s ILE 146 CO -0.04 -0.39 0.11 -0.36 0.00 0.00 0.00 174.94 174.27 1x0n s PHE 147 N -1.53 2.64 -0.48 3.97 0.08 -1.26 -3.74 117.98 117.66 1x0n s PHE 147 Ca -0.06 -0.44 -0.28 0.00 0.12 0.00 0.00 56.93 56.27 1x0n s PHE 147 Cb -0.09 -1.66 0.03 0.00 -0.57 0.00 0.00 43.02 40.73 1x0n s PHE 147 CO 0.00 0.35 1.07 -0.51 -0.10 0.00 0.00 175.22 176.03 1x0n s LEU 148 N -3.82 3.75 0.13 -0.37 1.43 -1.25 -4.55 118.68 113.99 1x0n s LEU 148 Ca 0.38 0.31 -0.30 0.00 -1.03 0.00 0.00 54.13 53.49 1x0n s LEU 148 Cb -0.01 -3.40 -0.06 0.00 0.03 0.00 0.00 46.19 42.75 1x0n s LEU 148 CO 0.22 -1.21 1.07 -0.13 0.23 0.00 0.00 176.35 176.53 1x0n s ARG 149 N 4.26 4.59 -0.40 1.70 1.81 0.44 -4.81 118.95 126.54 1x0n s ARG 149 Ca 0.44 1.63 -0.28 0.00 -1.72 0.00 0.00 55.73 55.80 1x0n s ARG 149 Cb -0.08 -3.33 -0.07 0.00 -0.45 0.00 0.00 34.95 31.02 1x0n s ARG 149 CO 0.30 0.05 2.35 -3.47 -0.68 0.00 0.00 175.30 173.84 1x0n n ASP 150 N 2.85 2.55 -4.76 0.23 2.03 -1.26 -2.89 116.55 115.31 1x0n n ASP 150 Ca 0.04 -0.16 -0.39 0.00 0.52 0.00 0.00 54.79 54.80 1x0n n ASP 150 Cb 0.47 -1.52 0.03 0.00 -0.72 0.00 0.00 41.12 39.38 1x0n n ASP 150 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1x0n s ILE 151 N 10.35 2.19 -0.42 5.18 2.07 -1.26 -4.98 121.20 134.33 1x0n s ILE 151 Ca 1.02 0.15 -0.12 0.00 -1.41 0.00 0.00 60.65 60.29 1x0n s ILE 151 Cb -0.33 -3.08 0.06 0.00 0.13 0.00 0.00 42.46 39.24 1x0n s ILE 151 CO 0.32 0.01 0.28 -1.61 -1.91 0.00 0.00 174.94 172.03 1x0n s GLU 152 N -2.75 2.81 1.10 3.50 2.02 -1.26 -4.91 118.70 119.22 1x0n s GLU 152 Ca 0.68 -1.27 -0.19 0.00 0.02 0.00 0.00 54.97 54.21 1x0n s GLU 152 Cb -0.40 -3.88 0.11 0.00 0.10 0.00 0.00 34.13 30.05 1x0n s GLU 152 CO 0.49 -0.87 -0.03 0.94 0.02 0.00 0.00 175.26 175.81 1x0n n GLN 153 N 5.04 -1.75 -1.28 1.61 7.27 -1.26 -4.71 117.38 122.30 1x0n n GLN 153 Ca -0.11 -0.50 -0.50 0.00 0.07 0.00 0.00 57.00 55.96 1x0n n GLN 153 Cb 0.44 -1.61 -0.06 0.00 2.41 0.00 0.00 30.24 31.42 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 -4.42 0.22 -2.26 1.69 3.14 -1.26 -4.86 118.33 110.59 1x0n n VAL 154 Ca 0.02 -0.06 -0.36 0.00 -2.96 0.00 0.00 64.34 60.98 1x0n n VAL 154 Cb 0.58 0.00 -0.00 0.00 -1.06 0.00 0.00 33.84 33.35 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 -0.11 3.54 -0.48 1.45 0.04 -1.26 -5.02 135.00 133.15 1x0n s PRO 155 Ca 0.76 1.69 0.04 0.00 0.04 0.00 0.00 61.00 63.52 1x0n s PRO 155 Cb -1.06 -2.19 0.20 0.00 0.04 0.00 0.00 34.50 31.49 1x0n s PRO 155 CO 0.49 -0.71 0.81 0.94 0.04 0.00 0.00 177.00 178.57 1x0n n GLN 156 N -0.93 0.47 -3.33 4.56 7.27 -1.26 -5.13 117.38 119.04 1x0n n GLN 156 Ca 0.10 -1.77 0.02 0.00 0.07 0.00 0.00 57.00 55.41 1x0n n GLN 156 Cb 0.50 -1.16 -0.04 0.00 2.41 0.00 0.00 30.24 31.95 1x0n n GLN 156 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 1x0n s GLN 157 N 0.87 0.24 1.04 3.69 -0.21 -1.26 -5.18 119.66 118.85 1x0n s GLN 157 Ca 0.29 0.58 -0.13 0.00 0.02 0.00 0.00 55.36 56.11 1x0n s GLN 157 Cb 0.04 0.35 0.21 0.00 1.00 0.00 0.00 33.01 34.60 1x0n s GLN 157 CO -0.07 -0.10 1.09 -1.25 -2.12 0.00 0.00 175.29 172.84 1x0n s PRO 158 N 2.44 0.13 0.00 2.91 0.04 -1.26 -5.34 135.00 133.92 1x0n s PRO 158 Ca -0.01 0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.45 1x0n s PRO 158 Cb -0.06 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.77 1x0n s PRO 158 CO -0.17 -2.92 0.00 -2.37 0.04 0.00 0.00 177.00 171.59