#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 3.58 -0.05 -2.67 5.36 -1.26 -2.12 117.98 120.81 1x0n s PHE 61 Ca 0.00 0.51 0.03 0.00 -0.96 0.00 0.00 56.93 56.51 1x0n s PHE 61 Cb 0.00 -1.94 0.01 0.00 -0.34 0.00 0.00 43.02 40.75 1x0n s PHE 61 CO 0.00 0.72 -0.12 -0.06 -1.46 0.00 0.00 175.22 174.30 1x0n s PHE 62 N -1.00 1.38 0.00 10.12 0.40 0.44 -4.97 117.98 124.35 1x0n s PHE 62 Ca 0.15 -0.46 0.00 0.00 -0.60 0.00 0.00 56.93 56.02 1x0n s PHE 62 Cb -0.12 -1.00 0.00 0.00 0.51 0.00 0.00 43.02 42.41 1x0n s PHE 62 CO 0.04 -0.22 0.00 0.41 0.70 0.00 0.00 175.22 176.15 1x0n n GLY 63 N 3.59 -2.19 2.98 4.36 0.00 -1.26 -1.60 105.19 111.07 1x0n n GLY 63 Ca -0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 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 1.84 -0.02 1.61 -0.14 -1.26 -0.54 119.74 121.23 1x0n s LYS 64 Ca 0.00 -1.10 0.01 0.00 -1.36 0.00 0.00 55.97 53.52 1x0n s LYS 64 Cb 0.00 -2.68 0.01 0.00 -1.68 0.00 0.00 37.83 33.48 1x0n s LYS 64 CO 0.00 -0.58 -0.02 0.96 -0.76 0.00 0.00 175.35 174.95 1x0n s ILE 65 N 1.30 0.25 0.42 2.17 -5.25 -1.26 -5.04 121.20 113.79 1x0n s ILE 65 Ca -0.07 -0.06 -0.24 0.00 -0.99 0.00 0.00 60.65 59.29 1x0n s ILE 65 Cb -0.19 -0.27 -0.08 0.00 2.95 0.00 0.00 42.46 44.87 1x0n s ILE 65 CO -0.06 0.11 1.18 -2.16 -1.79 0.00 0.00 174.94 172.22 1x0n s PRO 66 N 0.40 3.94 0.21 0.37 0.04 -1.26 -4.77 135.00 133.94 1x0n s PRO 66 Ca -0.04 1.85 0.01 0.00 0.04 0.00 0.00 61.00 62.86 1x0n s PRO 66 Cb -0.07 -2.59 0.51 0.00 0.04 0.00 0.00 34.50 32.39 1x0n s PRO 66 CO -0.01 -0.42 1.06 0.54 0.04 0.00 0.00 177.00 178.22 1x0n n ARG 67 N -0.11 -0.05 0.09 4.56 5.12 -1.26 0.11 116.66 125.11 1x0n n ARG 67 Ca 0.05 1.02 -0.13 0.00 -1.93 0.00 0.00 57.85 56.86 1x0n n ARG 67 Cb 0.47 -1.61 -0.06 0.00 -1.16 0.00 0.00 32.46 30.10 1x0n n ARG 67 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1x0n h ALA 68 N 1.36 -0.55 -0.48 7.54 0.00 -1.99 -1.27 119.26 123.87 1x0n h ALA 68 Ca 0.41 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.37 1x0n h ALA 68 Cb 0.83 0.58 -0.10 0.00 0.00 0.00 0.00 17.79 19.10 1x0n h ALA 68 CO -0.64 -0.87 -0.26 0.87 0.00 0.00 0.00 179.25 178.35 1x0n h LYS 69 N -0.53 -0.15 0.02 0.00 6.56 0.39 -1.04 116.57 121.82 1x0n h LYS 69 Ca 0.04 0.01 0.03 0.00 -1.06 0.00 0.00 60.65 59.67 1x0n h LYS 69 Cb 0.59 0.03 -0.05 0.00 -0.57 0.00 0.00 32.23 32.24 1x0n h LYS 69 CO -0.23 -0.10 -0.31 0.00 -2.06 0.00 0.00 179.45 176.75 1x0n h ALA 70 N 1.08 -0.46 -0.89 3.86 0.00 -1.10 0.93 119.26 122.69 1x0n h ALA 70 Ca 0.22 -0.02 0.23 0.00 0.00 0.00 0.00 54.91 55.34 1x0n h ALA 70 Cb 0.50 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 1x0n h ALA 70 CO -0.57 -0.83 0.61 0.93 0.00 0.00 0.00 179.25 179.40 1x0n h GLU 71 N -0.47 0.20 0.00 0.00 5.08 -0.39 0.28 114.58 119.29 1x0n h GLU 71 Ca 0.06 -0.01 -0.20 0.00 -1.00 0.00 0.00 59.36 58.21 1x0n h GLU 71 Cb 0.55 -0.05 0.02 0.00 0.50 0.00 0.00 28.75 29.77 1x0n h GLU 71 CO -0.25 0.14 -0.78 0.93 -1.00 0.00 0.00 179.01 178.05 1x0n h GLU 72 N 0.21 0.52 -0.77 2.33 4.39 0.14 -0.22 114.58 121.18 1x0n h GLU 72 Ca 0.45 -0.56 0.04 0.00 0.34 0.00 0.00 59.36 59.63 1x0n h GLU 72 Cb 1.42 0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 30.19 1x0n h GLU 72 CO -0.10 1.19 0.51 0.52 -1.16 0.00 0.00 179.01 179.97 1x0n h MET 73 N 0.08 0.89 0.21 2.33 2.86 0.12 0.13 114.93 121.55 1x0n h MET 73 Ca -0.10 -0.05 -0.34 0.00 -2.06 0.00 0.00 59.70 57.15 1x0n h MET 73 Cb 1.47 -0.20 0.02 0.00 0.06 0.00 0.00 31.60 32.95 1x0n h MET 73 CO 0.15 0.59 -1.59 -0.07 1.06 0.00 0.00 176.91 177.05 1x0n h LEU 74 N 0.92 0.70 0.10 1.22 3.38 -1.33 -3.33 115.31 116.96 1x0n h LEU 74 Ca 0.31 -0.93 -0.00 0.00 0.09 0.00 0.00 57.88 57.35 1x0n h LEU 74 Cb 0.10 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1x0n h LEU 74 CO -0.10 1.74 -0.05 0.28 0.09 0.00 0.00 178.44 180.41 1x0n h SER 75 N 0.08 -0.11 -1.10 -0.43 0.02 -0.69 -2.30 113.55 109.02 1x0n h SER 75 Ca -0.30 -0.03 0.30 0.00 -0.84 0.00 0.00 61.79 60.92 1x0n h SER 75 Cb 2.09 0.03 -0.07 0.00 0.14 0.00 0.00 62.40 64.60 1x0n h SER 75 CO 0.21 -0.04 0.75 0.07 -1.14 0.00 0.00 176.83 176.69 1x0n h LYS 76 N -0.17 0.16 -6.87 3.45 2.10 -0.90 -3.42 116.57 110.93 1x0n h LYS 76 Ca -0.01 -0.01 -0.46 0.00 -2.00 0.00 0.00 60.65 58.16 1x0n h LYS 76 Cb 0.14 -0.04 0.22 0.00 -0.90 0.00 0.00 32.23 31.66 1x0n h LYS 76 CO 0.02 0.11 -0.59 1.04 -2.00 0.00 0.00 179.45 178.03 1x0n n GLN 77 N -4.38 -1.67 -0.03 0.07 1.13 -0.87 -4.98 117.38 106.65 1x0n n GLN 77 Ca 0.25 -0.46 -0.02 0.00 -1.94 0.00 0.00 57.00 54.83 1x0n n GLN 77 Cb 1.07 -1.91 -0.06 0.00 0.11 0.00 0.00 30.24 29.44 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 -3.12 2.25 0.00 -1.09 5.12 -1.26 -5.03 116.66 113.53 1x0n n ARG 78 Ca 0.03 -0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 1x0n n ARG 78 Cb 0.58 -1.20 0.00 0.00 -1.16 0.00 0.00 32.46 30.68 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 -2.19 -2.54 -3.85 -1.55 8.25 -1.26 -5.07 115.22 107.01 1x0n n HIS 79 Ca -0.10 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.08 1x0n n HIS 79 Cb 0.64 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.59 1x0n n HIS 79 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1x0n s ASP 80 N -1.22 2.71 0.00 0.41 -4.77 -1.26 -4.78 116.67 107.76 1x0n s ASP 80 Ca 0.00 -0.62 0.00 0.00 -3.30 0.00 0.00 52.55 48.63 1x0n s ASP 80 Cb 0.00 -0.81 0.00 0.00 -1.09 0.00 0.00 42.92 41.02 1x0n s ASP 80 CO 0.00 -0.20 0.00 0.61 0.70 0.00 0.00 175.17 176.28 1x0n n GLY 81 N 4.93 1.93 3.62 2.12 0.00 -1.23 -4.51 105.19 112.05 1x0n n GLY 81 Ca -0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.25 1.61 -2.77 4.61 0.00 -1.26 -0.42 120.51 122.04 1x0n n ALA 82 Ca 0.00 -0.03 -0.35 0.00 0.00 0.00 0.00 53.44 53.05 1x0n n ALA 82 Cb 0.00 -2.79 -0.08 0.00 0.00 0.00 0.00 19.45 16.58 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 6.56 3.30 -0.18 0.00 -0.71 -1.17 -2.05 117.98 123.74 1x0n s PHE 83 Ca 0.96 0.27 -0.04 0.00 -1.04 0.00 0.00 56.93 57.08 1x0n s PHE 83 Cb -0.43 -1.88 0.09 0.00 -1.21 0.00 0.00 43.02 39.59 1x0n s PHE 83 CO 0.40 0.50 0.29 -1.17 -1.34 0.00 0.00 175.22 173.89 1x0n s LEU 84 N -0.73 -0.35 -0.28 -1.99 0.20 0.30 -4.25 118.68 111.58 1x0n s LEU 84 Ca 0.12 0.34 -0.20 0.00 0.69 0.00 0.00 54.13 55.08 1x0n s LEU 84 Cb -0.12 0.77 -0.02 0.00 -0.43 0.00 0.00 46.19 46.39 1x0n s LEU 84 CO 0.02 -0.27 0.60 -0.63 -0.29 0.00 0.00 176.35 175.78 1x0n s ILE 85 N 2.44 4.98 0.30 6.68 1.01 -0.90 -0.48 121.20 135.23 1x0n s ILE 85 Ca 0.05 0.93 0.09 0.00 0.00 0.00 0.00 60.65 61.71 1x0n s ILE 85 Cb -0.14 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 1x0n s ILE 85 CO -0.11 -0.05 0.07 0.00 0.00 0.00 0.00 174.94 174.85 1x0n s ARG 86 N 2.51 2.36 -0.05 2.79 3.03 -0.07 -0.42 118.95 129.11 1x0n s ARG 86 Ca 0.24 -1.47 -0.01 0.00 2.03 0.00 0.00 55.73 56.52 1x0n s ARG 86 Cb -0.15 -2.18 -0.04 0.00 -1.03 0.00 0.00 34.95 31.55 1x0n s ARG 86 CO 0.10 0.24 0.05 -2.00 -1.13 0.00 0.00 175.30 172.57 1x0n s GLU 87 N -3.76 3.05 0.47 3.89 2.12 0.30 -2.01 118.70 122.76 1x0n s GLU 87 Ca 0.34 -0.43 -0.20 0.00 0.36 0.00 0.00 54.97 55.04 1x0n s GLU 87 Cb -0.04 -2.85 -0.09 0.00 0.26 0.00 0.00 34.13 31.40 1x0n s GLU 87 CO 0.21 0.68 1.02 -1.12 -0.54 0.00 0.00 175.26 175.51 1x0n s SER 88 N -1.34 6.47 -0.07 -1.70 0.01 -1.26 -4.35 113.70 111.47 1x0n s SER 88 Ca 0.18 1.88 -0.09 0.00 1.31 0.00 0.00 55.95 59.23 1x0n s SER 88 Cb -0.12 -2.56 -0.29 0.00 0.21 0.00 0.00 66.02 63.27 1x0n s SER 88 CO 0.08 -0.69 0.59 1.05 0.41 0.00 0.00 173.24 174.69 1x0n h GLU 89 N 1.64 0.34 -0.00 12.44 4.11 -1.97 -3.34 114.58 127.79 1x0n h GLU 89 Ca -0.49 -0.58 0.00 0.00 0.07 0.00 0.00 59.36 58.36 1x0n h GLU 89 Cb 1.21 0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.68 1x0n h GLU 89 CO 0.59 1.26 -0.29 0.45 0.07 0.00 0.00 179.01 181.09 1x0n n SER 90 N -3.54 0.57 -3.55 3.06 2.88 -1.26 -4.47 113.62 107.31 1x0n n SER 90 Ca -0.26 -0.39 -0.28 0.00 -1.33 0.00 0.00 58.87 56.62 1x0n n SER 90 Cb 1.07 0.06 -0.11 0.00 -0.75 0.00 0.00 64.21 64.47 1x0n n SER 90 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x0n s ALA 91 N -2.76 2.03 0.17 -1.46 0.00 -1.25 -5.11 121.76 113.37 1x0n s ALA 91 Ca 0.19 -2.77 -0.30 0.00 0.00 0.00 0.00 51.96 49.07 1x0n s ALA 91 Cb 0.19 -1.76 -0.08 0.00 0.00 0.00 0.00 23.12 21.46 1x0n s ALA 91 CO 0.58 -2.02 1.32 -1.25 0.00 0.00 0.00 175.76 174.40 1x0n s PRO 92 N -0.22 4.37 0.00 0.00 0.04 -1.26 -2.97 135.00 134.96 1x0n s PRO 92 Ca 0.29 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.37 1x0n s PRO 92 Cb -0.02 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.30 1x0n s PRO 92 CO -0.16 -0.31 0.00 0.41 0.04 0.00 0.00 177.00 176.98 1x0n n GLY 93 N 2.75 0.70 3.94 0.56 0.00 -1.26 -5.08 105.19 106.81 1x0n n GLY 93 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.85 4.66 -0.06 1.61 2.15 -1.16 -5.05 116.67 116.98 1x0n s ASP 94 Ca 0.00 0.27 -0.05 0.00 0.43 0.00 0.00 52.55 53.20 1x0n s ASP 94 Cb 0.00 -0.86 0.02 0.00 -0.30 0.00 0.00 42.92 41.78 1x0n s ASP 94 CO 0.00 -1.68 0.14 -0.36 -0.17 0.00 0.00 175.17 173.11 1x0n s PHE 95 N -3.23 -0.16 -0.05 -5.34 0.08 -1.26 -4.44 117.98 103.58 1x0n s PHE 95 Ca 0.62 0.40 -0.01 0.00 0.12 0.00 0.00 56.93 58.05 1x0n s PHE 95 Cb -0.09 0.04 0.03 0.00 -0.57 0.00 0.00 43.02 42.43 1x0n s PHE 95 CO 0.45 -0.08 0.02 -1.54 -0.10 0.00 0.00 175.22 173.96 1x0n s SER 96 N 0.17 1.05 -0.03 1.36 1.04 -0.85 -2.75 113.70 113.69 1x0n s SER 96 Ca -0.01 -0.01 -0.22 0.00 0.48 0.00 0.00 55.95 56.20 1x0n s SER 96 Cb -0.02 -0.26 -0.05 0.00 0.10 0.00 0.00 66.02 65.79 1x0n s SER 96 CO -0.00 -0.18 0.63 -0.22 0.98 0.00 0.00 173.24 174.44 1x0n s LEU 97 N 1.74 4.37 -0.26 2.42 1.98 -0.91 -0.89 118.68 127.13 1x0n s LEU 97 Ca 0.00 1.15 0.03 0.00 -2.89 0.00 0.00 54.13 52.42 1x0n s LEU 97 Cb -0.13 -2.97 0.06 0.00 0.66 0.00 0.00 46.19 43.81 1x0n s LEU 97 CO -0.03 0.01 -0.11 -0.44 -1.89 0.00 0.00 176.35 173.89 1x0n s SER 98 N 0.23 4.39 0.02 3.68 0.01 0.37 -0.57 113.70 121.84 1x0n s SER 98 Ca 0.33 -1.37 0.04 0.00 1.31 0.00 0.00 55.95 56.26 1x0n s SER 98 Cb -0.18 -1.54 -0.03 0.00 0.21 0.00 0.00 66.02 64.47 1x0n s SER 98 CO 0.17 -0.18 -0.08 -0.69 0.41 0.00 0.00 173.24 172.87 1x0n s VAL 99 N 1.11 3.52 -0.12 3.43 1.01 0.50 -0.54 120.40 129.31 1x0n s VAL 99 Ca -0.08 -0.87 -0.10 0.00 0.00 0.00 0.00 61.98 60.93 1x0n s VAL 99 Cb -0.20 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 1x0n s VAL 99 CO -0.05 0.36 0.21 -0.75 0.00 0.00 0.00 175.10 174.87 1x0n s LYS 100 N -1.49 3.79 -0.36 2.72 2.20 -0.87 -0.50 119.74 125.23 1x0n s LYS 100 Ca 0.17 -0.02 -0.00 0.00 -0.36 0.00 0.00 55.97 55.76 1x0n s LYS 100 Cb -0.11 -3.27 0.12 0.00 -1.51 0.00 0.00 37.83 33.06 1x0n s LYS 100 CO 0.08 0.59 0.18 -0.06 -0.36 0.00 0.00 175.35 175.78 1x0n s PHE 101 N -0.55 1.22 0.00 4.03 0.08 -0.62 -3.49 117.98 118.66 1x0n s PHE 101 Ca 0.15 -1.74 0.00 0.00 0.12 0.00 0.00 56.93 55.46 1x0n s PHE 101 Cb -0.13 -1.36 0.00 0.00 -0.57 0.00 0.00 43.02 40.96 1x0n s PHE 101 CO 0.05 -0.83 0.00 0.41 -0.10 0.00 0.00 175.22 174.75 1x0n n GLY 102 N 4.29 0.54 0.46 4.36 0.00 -1.26 -1.15 105.19 112.43 1x0n n GLY 102 Ca 0.05 0.55 0.07 0.00 0.00 0.00 0.00 46.02 46.69 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 8.02 1.87 -3.59 1.61 5.15 -1.26 -4.96 115.26 122.09 1x0n n ASN 103 Ca 0.00 -3.57 -0.19 0.00 -0.60 0.00 0.00 54.58 50.22 1x0n n ASN 103 Cb 0.00 -0.49 -0.15 0.00 -0.53 0.00 0.00 39.78 38.62 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 -3.06 1.27 -0.45 1.20 1.01 -0.30 -5.12 116.67 111.22 1x0n s ASP 104 Ca 0.35 -0.04 -0.24 0.00 0.71 0.00 0.00 52.55 53.33 1x0n s ASP 104 Cb 0.34 0.23 0.03 0.00 1.01 0.00 0.00 42.92 44.52 1x0n s ASP 104 CO -0.04 -0.30 0.86 -0.69 0.21 0.00 0.00 175.17 175.22 1x0n s VAL 105 N 2.28 4.55 0.48 -1.27 1.01 -1.26 -1.59 120.40 124.61 1x0n s VAL 105 Ca 0.04 0.63 0.08 0.00 0.00 0.00 0.00 61.98 62.74 1x0n s VAL 105 Cb -0.14 -4.38 0.03 0.00 0.00 0.00 0.00 36.38 31.89 1x0n s VAL 105 CO -0.09 -0.77 0.59 -1.10 0.00 0.00 0.00 175.10 173.74 1x0n s GLN 106 N 3.54 2.54 0.21 2.72 -0.21 0.34 -4.95 119.66 123.86 1x0n s GLN 106 Ca 0.34 -1.51 -0.17 0.00 0.02 0.00 0.00 55.36 54.04 1x0n s GLN 106 Cb -0.11 -2.59 0.02 0.00 1.00 0.00 0.00 33.01 31.34 1x0n s GLN 106 CO 0.24 -0.49 0.54 -3.38 -2.12 0.00 0.00 175.29 170.08 1x0n s HIS 107 N -2.52 -0.08 -0.03 0.91 -3.43 -1.26 -0.37 115.29 108.51 1x0n s HIS 107 Ca 0.54 -0.28 0.03 0.00 -0.80 0.00 0.00 55.06 54.55 1x0n s HIS 107 Cb -0.07 0.41 0.00 0.00 -1.43 0.00 0.00 32.58 31.49 1x0n s HIS 107 CO 0.33 -0.96 -0.11 -0.06 -2.00 0.00 0.00 174.74 171.94 1x0n s PHE 108 N -3.89 1.13 -0.28 0.38 0.40 0.27 -4.97 117.98 111.02 1x0n s PHE 108 Ca 0.11 -0.31 -0.29 0.00 -0.60 0.00 0.00 56.93 55.84 1x0n s PHE 108 Cb -0.02 -0.80 0.01 0.00 0.51 0.00 0.00 43.02 42.73 1x0n s PHE 108 CO -0.00 -0.13 1.05 0.15 0.70 0.00 0.00 175.22 176.98 1x0n s LYS 109 N 0.23 4.15 -0.15 0.44 -0.14 -1.26 -2.14 119.74 120.87 1x0n s LYS 109 Ca -0.04 1.19 -0.16 0.00 -1.36 0.00 0.00 55.97 55.60 1x0n s LYS 109 Cb -0.10 -3.69 -0.04 0.00 -1.68 0.00 0.00 37.83 32.32 1x0n s LYS 109 CO 0.01 -0.76 0.37 0.08 -0.76 0.00 0.00 175.35 174.28 1x0n s VAL 110 N 3.41 5.25 0.12 3.17 1.01 -1.11 -4.79 120.40 127.47 1x0n s VAL 110 Ca 0.44 0.70 0.03 0.00 0.00 0.00 0.00 61.98 63.16 1x0n s VAL 110 Cb -0.14 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1x0n s VAL 110 CO 0.11 0.35 0.17 -0.76 0.00 0.00 0.00 175.10 174.97 1x0n s LEU 111 N 0.63 4.03 -0.00 3.92 1.02 -0.62 -4.44 118.68 123.22 1x0n s LEU 111 Ca 0.20 0.05 -0.02 0.00 0.02 0.00 0.00 54.13 54.38 1x0n s LEU 111 Cb -0.14 -2.65 -0.00 0.00 0.02 0.00 0.00 46.19 43.42 1x0n s LEU 111 CO 0.06 0.11 0.04 -0.13 0.02 0.00 0.00 176.35 176.45 1x0n s ARG 112 N -2.84 0.18 0.74 1.70 0.52 -1.26 -2.13 118.95 115.87 1x0n s ARG 112 Ca 0.32 -0.19 -0.04 0.00 -0.52 0.00 0.00 55.73 55.30 1x0n s ARG 112 Cb -0.11 0.07 0.15 0.00 0.52 0.00 0.00 34.95 35.58 1x0n s ARG 112 CO 0.25 -0.03 1.02 -0.25 0.02 0.00 0.00 175.30 176.31 1x0n n ASP 113 N 2.43 0.98 -1.26 0.23 9.92 -1.06 -4.97 116.55 122.83 1x0n n ASP 113 Ca -0.17 -1.92 -0.04 0.00 -0.53 0.00 0.00 54.79 52.13 1x0n n ASP 113 Cb 0.58 -0.70 0.09 0.00 -0.64 0.00 0.00 41.12 40.45 1x0n n ASP 113 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1x0n n GLY 114 N -2.45 2.54 0.11 0.44 0.00 -1.26 -3.84 105.19 100.73 1x0n n GLY 114 Ca 0.16 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.04 2.07 0.00 4.61 0.00 -1.26 -5.06 120.51 120.91 1x0n n ALA 115 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1x0n n ALA 115 Cb 0.78 0.22 0.00 0.00 0.00 0.00 0.00 19.45 20.46 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 2.38 0.42 3.29 0.00 0.00 -1.25 -5.15 105.19 104.89 1x0n n GLY 116 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 3.28 0.21 1.61 3.01 -1.26 -4.67 119.74 121.92 1x0n s LYS 117 Ca 0.00 -0.71 -0.11 0.00 -1.01 0.00 0.00 55.97 54.14 1x0n s LYS 117 Cb 0.00 -2.70 -0.07 0.00 -1.01 0.00 0.00 37.83 34.04 1x0n s LYS 117 CO 0.00 0.01 0.56 0.71 0.51 0.00 0.00 175.35 177.14 1x0n s TYR 118 N 0.86 3.47 -0.26 3.18 2.02 -0.41 -2.57 117.35 123.65 1x0n s TYR 118 Ca -0.04 0.94 -0.26 0.00 -0.37 0.00 0.00 57.07 57.35 1x0n s TYR 118 Cb -0.15 -2.30 0.13 0.00 -0.40 0.00 0.00 41.96 39.23 1x0n s TYR 118 CO -0.00 0.31 1.04 -0.59 -1.57 0.00 0.00 175.55 174.73 1x0n s PHE 119 N -1.72 -0.44 0.00 2.71 -0.12 -0.90 -1.31 117.98 116.19 1x0n s PHE 119 Ca 0.45 1.01 0.00 0.00 -0.05 0.00 0.00 56.93 58.33 1x0n s PHE 119 Cb -0.12 0.39 0.00 0.00 -0.63 0.00 0.00 43.02 42.65 1x0n s PHE 119 CO 0.20 -0.25 0.00 -0.11 -0.05 0.00 0.00 175.22 175.02 1x0n n LEU 120 N 1.87 0.00 0.00 -1.99 7.94 -1.04 -1.58 117.00 122.20 1x0n n LEU 120 Ca -0.12 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.78 1x0n n LEU 120 Cb 0.56 -0.26 0.00 0.00 0.53 0.00 0.00 43.42 44.25 1x0n n LEU 120 CO 0.05 -0.48 0.00 -2.67 -1.11 0.00 0.00 177.39 173.18 1x0n n TRP 121 N -2.46 0.00 0.48 1.96 4.27 -1.26 -4.85 117.44 115.59 1x0n n TRP 121 Ca 0.00 0.00 0.06 0.00 -3.89 0.00 0.00 57.50 53.67 1x0n n TRP 121 Cb 0.00 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 29.88 1x0n n TRP 121 CO 0.00 0.00 0.00 1.33 -2.29 0.00 0.00 177.69 176.73 1x0n n VAL 122 N -0.01 0.00 -3.62 -1.67 0.24 -1.26 -5.01 118.33 107.00 1x0n n VAL 122 Ca 0.00 -0.22 -0.16 0.00 -2.04 0.00 0.00 64.34 61.92 1x0n n VAL 122 Cb 0.00 0.87 -0.07 0.00 -1.47 0.00 0.00 33.84 33.17 1x0n n VAL 122 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1x0n s VAL 123 N -2.28 0.03 0.05 3.34 0.11 -1.26 -5.18 120.40 115.21 1x0n s VAL 123 Ca 0.03 -0.21 0.03 0.00 -2.93 0.00 0.00 61.98 58.90 1x0n s VAL 123 Cb 0.09 -0.86 -0.03 0.00 -1.53 0.00 0.00 36.38 34.06 1x0n s VAL 123 CO 0.51 -0.12 -0.10 -1.59 -3.33 0.00 0.00 175.10 170.47 1x0n s LYS 124 N -1.44 0.64 0.32 1.54 -2.85 -1.26 -2.49 119.74 114.20 1x0n s LYS 124 Ca -0.11 -0.84 -0.10 0.00 -1.00 0.00 0.00 55.97 53.92 1x0n s LYS 124 Cb -0.02 -0.50 0.01 0.00 -2.06 0.00 0.00 37.83 35.26 1x0n s LYS 124 CO 0.06 0.10 0.56 -0.06 0.10 0.00 0.00 175.35 176.12 1x0n s PHE 125 N -1.34 0.54 -0.11 1.78 0.08 -0.43 -5.01 117.98 113.49 1x0n s PHE 125 Ca -0.07 -0.93 0.07 0.00 0.12 0.00 0.00 56.93 56.12 1x0n s PHE 125 Cb -0.10 0.27 -0.24 0.00 -0.57 0.00 0.00 43.02 42.38 1x0n s PHE 125 CO 0.01 -1.20 0.39 0.09 -0.10 0.00 0.00 175.22 174.41 1x0n n ASN 126 N -1.02 1.21 -4.49 1.36 3.02 -1.26 -1.29 115.26 112.79 1x0n n ASN 126 Ca -0.02 0.23 -0.25 0.00 -0.03 0.00 0.00 54.58 54.51 1x0n n ASN 126 Cb 0.61 -0.16 -0.10 0.00 -0.61 0.00 0.00 39.78 39.52 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 -6.31 2.95 -0.03 6.41 0.01 -1.26 -4.05 113.70 111.41 1x0n s SER 127 Ca -0.14 -1.42 -0.08 0.00 1.31 0.00 0.00 55.95 55.62 1x0n s SER 127 Cb 0.07 -0.07 -0.05 0.00 0.21 0.00 0.00 66.02 66.19 1x0n s SER 127 CO 0.79 -0.61 0.44 -0.07 0.41 0.00 0.00 173.24 174.19 1x0n h LEU 128 N 1.93 -0.25 -1.39 2.44 3.38 -1.96 -3.18 115.31 116.28 1x0n h LEU 128 Ca -0.41 0.01 0.45 0.00 0.09 0.00 0.00 57.88 58.02 1x0n h LEU 128 Cb 1.25 0.07 -0.11 0.00 0.09 0.00 0.00 40.66 41.96 1x0n h LEU 128 CO 0.72 0.06 0.93 -0.46 0.09 0.00 0.00 178.44 179.78 1x0n n ASN 129 N -4.12 0.14 -0.09 -0.43 0.23 -1.26 0.21 115.26 109.94 1x0n n ASN 129 Ca -0.04 1.14 -0.12 0.00 -0.53 0.00 0.00 54.58 55.04 1x0n n ASN 129 Cb 0.12 -0.56 -0.05 0.00 -2.08 0.00 0.00 39.78 37.21 1x0n n ASN 129 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1x0n h GLU 130 N 0.00 0.49 0.12 -3.83 4.39 -1.99 -2.33 114.58 111.42 1x0n h GLU 130 Ca 0.80 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 60.31 1x0n h GLU 130 Cb 2.78 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 31.41 1x0n h GLU 130 CO -0.30 0.72 -0.06 1.25 -1.16 0.00 0.00 179.01 179.46 1x0n h LEU 131 N 0.23 -0.13 -0.92 1.33 5.85 0.24 -2.12 115.31 119.79 1x0n h LEU 131 Ca 0.06 -0.11 0.13 0.00 0.84 0.00 0.00 57.88 58.80 1x0n h LEU 131 Cb 0.54 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.52 1x0n h LEU 131 CO 0.03 0.03 0.54 -0.37 -0.34 0.00 0.00 178.44 178.32 1x0n h VAL 132 N -0.28 0.85 0.40 1.05 -1.51 -1.38 -1.43 116.25 113.95 1x0n h VAL 132 Ca -0.02 -0.28 -0.02 0.00 -1.23 0.00 0.00 66.70 65.15 1x0n h VAL 132 Cb 0.23 -0.05 0.00 0.00 -2.13 0.00 0.00 31.29 29.34 1x0n h VAL 132 CO 0.03 0.15 -0.19 -0.78 -1.23 0.00 0.00 177.57 175.54 1x0n h ASP 133 N 0.83 -0.46 -0.82 4.19 1.82 -1.20 0.13 116.42 120.90 1x0n h ASP 133 Ca 0.47 0.02 0.17 0.00 -0.39 0.00 0.00 57.03 57.30 1x0n h ASP 133 Cb 0.54 0.12 -0.15 0.00 0.68 0.00 0.00 39.33 40.52 1x0n h ASP 133 CO -0.30 -0.31 -0.14 0.22 -1.61 0.00 0.00 179.24 177.10 1x0n h TYR 134 N -0.58 -0.33 0.00 0.28 5.03 -1.21 1.23 116.97 121.40 1x0n h TYR 134 Ca -0.06 0.07 -0.05 0.00 2.58 0.00 0.00 58.73 61.28 1x0n h TYR 134 Cb 0.41 0.27 -0.01 0.00 1.55 0.00 0.00 36.73 38.96 1x0n h TYR 134 CO 0.12 -0.34 -0.22 0.45 -1.32 0.00 0.00 178.16 176.85 1x0n h HIS 135 N 0.02 0.00 0.00 -3.82 3.86 -1.24 0.72 115.15 114.69 1x0n h HIS 135 Ca 0.41 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.58 1x0n h HIS 135 Cb 0.68 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.14 1x0n h HIS 135 CO -0.59 0.22 -0.22 -0.09 0.86 0.00 0.00 177.93 178.11 1x0n h ARG 136 N 0.00 0.00 0.00 2.45 1.12 0.43 -3.07 114.38 115.31 1x0n h ARG 136 Ca -0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1x0n h ARG 136 Cb 0.50 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.46 1x0n h ARG 136 CO 0.03 0.22 -1.52 -1.13 -3.11 0.00 0.00 179.97 174.45 1x0n n SER 137 N -3.34 0.77 -4.19 -3.80 3.41 -0.49 -4.20 113.62 101.78 1x0n n SER 137 Ca 0.00 -0.31 -0.26 0.00 -0.26 0.00 0.00 58.87 58.05 1x0n n SER 137 Cb 0.45 1.57 -0.15 0.00 -0.26 0.00 0.00 64.21 65.82 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 -3.10 1.50 1.00 6.66 2.01 0.18 -5.10 115.64 118.78 1x0n s THR 138 Ca -0.02 -0.82 -0.17 0.00 0.31 0.00 0.00 61.69 60.98 1x0n s THR 138 Cb 0.13 -1.24 -0.13 0.00 0.01 0.00 0.00 72.50 71.26 1x0n s THR 138 CO 0.77 0.41 -0.71 -1.54 -0.69 0.00 0.00 174.62 172.86 1x0n n SER 139 N 2.59 -5.23 0.00 3.53 3.41 -1.26 -4.46 113.62 112.20 1x0n n SER 139 Ca -0.15 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1x0n n SER 139 Cb 0.53 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 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 -2.76 0.00 -2.97 -3.33 0.31 -1.26 -4.90 118.33 103.43 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 0.58 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.46 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 -2.12 7.22 -0.24 4.52 0.15 -1.26 -4.95 113.70 117.02 1x0n s SER 141 Ca 0.00 1.46 0.01 0.00 0.70 0.00 0.00 55.95 58.13 1x0n s SER 141 Cb 0.00 -2.47 0.31 0.00 -1.71 0.00 0.00 66.02 62.15 1x0n s SER 141 CO 0.00 0.01 1.54 0.54 1.20 0.00 0.00 173.24 176.53 1x0n n ARG 142 N 2.82 1.65 0.05 5.44 1.74 -1.26 -4.12 116.66 122.97 1x0n n ARG 142 Ca -0.02 -1.49 0.00 0.00 -0.77 0.00 0.00 57.85 55.57 1x0n n ARG 142 Cb 0.50 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 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 -0.20 0.49 -0.95 0.55 2.85 -1.26 -5.13 115.26 111.61 1x0n n ASN 143 Ca 0.30 0.14 0.00 0.00 -0.11 0.00 0.00 54.58 54.91 1x0n n ASN 143 Cb 0.99 -0.09 0.00 0.00 1.24 0.00 0.00 39.78 41.92 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 -3.26 2.39 -3.90 1.20 7.27 -1.26 -5.10 117.38 114.72 1x0n n GLN 144 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.78 1x0n n GLN 144 Cb 0.15 0.00 -0.12 0.00 2.41 0.00 0.00 30.24 32.67 1x0n n GLN 144 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 1x0n s GLN 145 N -0.57 2.36 0.16 3.69 -0.21 -1.26 -4.68 119.66 119.15 1x0n s GLN 145 Ca 0.00 -3.14 0.07 0.00 0.02 0.00 0.00 55.36 52.31 1x0n s GLN 145 Cb 0.00 -3.42 -0.04 0.00 1.00 0.00 0.00 33.01 30.55 1x0n s GLN 145 CO 0.00 -1.24 -0.14 0.42 -2.12 0.00 0.00 175.29 172.21 1x0n s ILE 146 N -1.12 1.55 0.24 1.08 1.01 -1.26 -5.11 121.20 117.58 1x0n s ILE 146 Ca 0.23 -1.99 0.09 0.00 0.00 0.00 0.00 60.65 58.98 1x0n s ILE 146 Cb -0.11 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 1x0n s ILE 146 CO -0.12 -0.52 -0.04 -0.36 0.00 0.00 0.00 174.94 173.91 1x0n s PHE 147 N -2.62 2.67 -0.42 3.97 0.08 -1.26 -4.21 117.98 116.20 1x0n s PHE 147 Ca 0.16 -0.22 -0.28 0.00 0.12 0.00 0.00 56.93 56.71 1x0n s PHE 147 Cb -0.02 -1.22 0.00 0.00 -0.57 0.00 0.00 43.02 41.21 1x0n s PHE 147 CO 0.05 0.60 1.53 -0.51 -0.10 0.00 0.00 175.22 176.79 1x0n s LEU 148 N -3.42 3.53 0.17 -0.37 1.43 -1.26 -4.44 118.68 114.32 1x0n s LEU 148 Ca 0.30 0.86 -0.26 0.00 -1.03 0.00 0.00 54.13 54.00 1x0n s LEU 148 Cb -0.07 -3.43 -0.08 0.00 0.03 0.00 0.00 46.19 42.64 1x0n s LEU 148 CO 0.18 -1.58 0.81 -0.13 0.23 0.00 0.00 176.35 175.86 1x0n s ARG 149 N 5.29 4.62 -0.42 1.70 1.81 0.44 -4.75 118.95 127.64 1x0n s ARG 149 Ca 0.65 1.22 -0.27 0.00 -1.72 0.00 0.00 55.73 55.61 1x0n s ARG 149 Cb -0.15 -3.28 -0.04 0.00 -0.45 0.00 0.00 34.95 31.03 1x0n s ARG 149 CO 0.32 0.53 2.03 0.16 -0.68 0.00 0.00 175.30 177.65 1x0n s ASP 150 N -1.04 5.32 0.54 0.23 1.47 -1.26 -3.04 116.67 118.89 1x0n s ASP 150 Ca 0.37 1.10 -0.22 0.00 1.18 0.00 0.00 52.55 54.99 1x0n s ASP 150 Cb -0.23 -2.52 -0.05 0.00 -0.34 0.00 0.00 42.92 39.77 1x0n s ASP 150 CO 0.27 -2.19 1.30 0.00 0.68 0.00 0.00 175.17 175.23 1x0n n ILE 151 N 7.55 3.70 -2.72 2.11 3.06 -1.26 -4.89 119.36 126.92 1x0n n ILE 151 Ca 0.27 -0.50 -0.43 0.00 -2.50 0.00 0.00 62.75 59.58 1x0n n ILE 151 Cb 0.50 -1.58 0.00 0.00 0.54 0.00 0.00 39.64 39.09 1x0n n ILE 151 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1x0n n GLU 152 N -0.91 3.34 -1.12 9.51 1.02 -1.26 -4.87 120.64 126.35 1x0n n GLU 152 Ca 0.11 -3.61 -0.34 0.00 -0.02 0.00 0.00 57.16 53.30 1x0n n GLU 152 Cb 0.44 -3.14 0.13 0.00 -0.02 0.00 0.00 31.44 28.85 1x0n n GLU 152 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1x0n n GLN 153 N 6.04 0.20 -1.46 3.49 0.00 -1.26 -4.85 117.38 119.54 1x0n n GLN 153 Ca 0.41 0.15 -0.51 0.00 -0.00 0.00 0.00 57.00 57.04 1x0n n GLN 153 Cb 0.42 -2.44 -0.05 0.00 0.00 0.00 0.00 30.24 28.17 1x0n n GLN 153 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.06 178.61 1x0n n VAL 154 N -3.27 1.26 -1.76 1.69 3.14 -1.26 -4.90 118.33 113.23 1x0n n VAL 154 Ca 0.14 -0.32 -0.33 0.00 -2.96 0.00 0.00 64.34 60.87 1x0n n VAL 154 Cb 0.50 -0.16 0.05 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 -0.65 2.81 -0.40 1.45 0.04 -1.26 -5.04 135.00 131.95 1x0n s PRO 155 Ca 0.73 1.40 0.03 0.00 0.04 0.00 0.00 61.00 63.19 1x0n s PRO 155 Cb -1.01 -1.95 0.16 0.00 0.04 0.00 0.00 34.50 31.74 1x0n s PRO 155 CO 0.56 -1.25 0.33 -1.14 0.04 0.00 0.00 177.00 175.55 1x0n s GLN 156 N -4.08 0.77 -0.16 4.56 0.74 -1.26 -5.09 119.66 115.14 1x0n s GLN 156 Ca 0.67 -1.65 -0.02 0.00 0.05 0.00 0.00 55.36 54.41 1x0n s GLN 156 Cb -0.21 -1.20 0.05 0.00 1.10 0.00 0.00 33.01 32.76 1x0n s GLN 156 CO 0.41 -1.31 0.01 -1.14 -0.55 0.00 0.00 175.29 172.71 1x0n s GLN 157 N 0.58 0.78 0.71 1.67 2.00 -1.26 -5.14 119.66 119.01 1x0n s GLN 157 Ca 0.26 -0.30 -0.13 0.00 -2.00 0.00 0.00 55.36 53.19 1x0n s GLN 157 Cb -0.07 -1.80 0.03 0.00 0.80 0.00 0.00 33.01 31.97 1x0n s GLN 157 CO -0.11 -0.52 1.10 -1.25 -0.50 0.00 0.00 175.29 174.02 1x0n s PRO 158 N 1.85 2.55 0.00 1.67 0.04 -1.26 -5.35 135.00 134.50 1x0n s PRO 158 Ca 0.01 1.29 0.04 0.00 0.04 0.00 0.00 61.00 62.38 1x0n s PRO 158 Cb -0.15 -1.93 0.03 0.00 0.04 0.00 0.00 34.50 32.49 1x0n s PRO 158 CO -0.07 -1.43 0.61 2.41 0.04 0.00 0.00 177.00 178.56