#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 2.77 0.06 -2.67 5.36 -1.26 -1.21 117.98 121.04 1x0n s PHE 61 Ca 0.00 -0.10 0.05 0.00 -0.96 0.00 0.00 56.93 55.91 1x0n s PHE 61 Cb 0.00 -1.64 -0.03 0.00 -0.34 0.00 0.00 43.02 41.02 1x0n s PHE 61 CO 0.00 0.25 -0.13 -0.06 -1.46 0.00 0.00 175.22 173.82 1x0n s PHE 62 N -0.79 1.16 -0.34 10.12 0.40 0.26 -4.97 117.98 123.81 1x0n s PHE 62 Ca 0.13 -0.43 -0.07 0.00 -0.60 0.00 0.00 56.93 55.95 1x0n s PHE 62 Cb -0.11 -0.66 0.04 0.00 0.51 0.00 0.00 43.02 42.80 1x0n s PHE 62 CO 0.02 0.04 0.11 0.20 0.70 0.00 0.00 175.22 176.29 1x0n s GLY 63 N -1.57 1.85 -0.20 4.36 0.00 -1.26 -2.21 107.32 108.28 1x0n s GLY 63 Ca -0.02 -1.73 -0.04 0.00 0.00 0.00 0.00 44.72 42.92 1x0n s GLY 63 CO 0.02 0.77 0.16 0.28 0.00 0.00 0.00 173.10 174.33 1x0n n LYS 64 N 4.83 -1.62 -3.73 2.90 4.76 -1.11 -4.93 118.16 119.25 1x0n n LYS 64 Ca -0.12 1.58 -0.12 0.00 -2.87 0.00 0.00 58.31 56.78 1x0n n LYS 64 Cb 0.45 -3.60 -0.12 0.00 -1.84 0.00 0.00 35.03 29.91 1x0n n LYS 64 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1x0n s ILE 65 N -1.39 -0.03 0.52 -0.18 -5.25 -1.26 -5.02 121.20 108.60 1x0n s ILE 65 Ca 0.07 0.10 -0.20 0.00 -0.99 0.00 0.00 60.65 59.62 1x0n s ILE 65 Cb -0.02 -0.44 -0.06 0.00 2.95 0.00 0.00 42.46 44.89 1x0n s ILE 65 CO 0.43 0.04 1.14 -2.16 -1.79 0.00 0.00 174.94 172.60 1x0n s PRO 66 N 1.03 3.46 0.54 0.37 0.04 -1.26 -4.86 135.00 134.32 1x0n s PRO 66 Ca -0.07 1.65 0.36 0.00 0.04 0.00 0.00 61.00 62.98 1x0n s PRO 66 Cb -0.08 -2.11 1.54 0.00 0.04 0.00 0.00 34.50 33.89 1x0n s PRO 66 CO -0.07 -0.77 1.82 0.07 0.04 0.00 0.00 177.00 178.08 1x0n h ARG 67 N 1.42 0.01 -0.04 4.56 -0.00 -2.01 0.10 114.38 118.41 1x0n h ARG 67 Ca -0.50 -0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.48 1x0n h ARG 67 Cb 1.26 -0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.23 1x0n h ARG 67 CO 0.58 0.00 0.01 0.00 -0.00 0.00 0.00 179.97 180.56 1x0n h ALA 68 N 1.43 0.05 -0.27 0.08 0.00 -2.00 -2.06 119.26 116.49 1x0n h ALA 68 Ca 0.54 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.37 1x0n h ALA 68 Cb 2.17 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.91 1x0n h ALA 68 CO -0.01 -0.33 0.05 -0.22 0.00 0.00 0.00 179.25 178.75 1x0n h LYS 69 N -0.15 0.15 0.19 0.00 1.63 -1.16 -2.20 116.57 115.03 1x0n h LYS 69 Ca 0.01 -0.01 0.01 0.00 -0.85 0.00 0.00 60.65 59.82 1x0n h LYS 69 Cb 0.23 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.80 1x0n h LYS 69 CO 0.00 0.10 -0.30 0.00 -3.45 0.00 0.00 179.45 175.80 1x0n h ALA 70 N 1.20 -0.56 -0.98 5.00 0.00 -1.44 -0.94 119.26 121.54 1x0n h ALA 70 Ca 0.12 -0.07 0.24 0.00 0.00 0.00 0.00 54.91 55.21 1x0n h ALA 70 Cb 0.13 0.47 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 1x0n h ALA 70 CO -0.16 -0.86 0.65 0.93 0.00 0.00 0.00 179.25 179.81 1x0n h GLU 71 N -0.56 0.33 -0.22 0.00 5.08 -1.16 0.10 114.58 118.15 1x0n h GLU 71 Ca 0.01 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 1x0n h GLU 71 Cb 0.56 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1x0n h GLU 71 CO -0.13 0.22 -0.39 0.93 -1.00 0.00 0.00 179.01 178.64 1x0n h GLU 72 N 0.34 0.66 0.00 2.33 4.39 -0.66 0.32 114.58 121.96 1x0n h GLU 72 Ca 0.53 -0.41 -0.02 0.00 0.34 0.00 0.00 59.36 59.79 1x0n h GLU 72 Cb 1.44 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 30.13 1x0n h GLU 72 CO -0.20 1.03 -0.10 0.52 -1.16 0.00 0.00 179.01 179.09 1x0n h MET 73 N 0.36 0.00 0.07 2.33 2.86 0.45 -0.55 114.93 120.45 1x0n h MET 73 Ca 0.01 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.46 1x0n h MET 73 Cb 0.99 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.64 1x0n h MET 73 CO 0.09 0.10 -0.99 -0.07 1.06 0.00 0.00 176.91 177.11 1x0n h LEU 74 N 0.00 0.24 -0.70 1.22 3.38 -1.17 -3.33 115.31 114.95 1x0n h LEU 74 Ca -0.00 -0.84 0.04 0.00 0.09 0.00 0.00 57.88 57.17 1x0n h LEU 74 Cb 0.18 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 1x0n h LEU 74 CO 0.01 1.43 0.43 0.28 0.09 0.00 0.00 178.44 180.68 1x0n h SER 75 N -0.59 0.69 -0.15 -0.43 0.02 -0.76 -0.73 113.55 111.61 1x0n h SER 75 Ca -0.22 0.01 0.04 0.00 -0.84 0.00 0.00 61.79 60.78 1x0n h SER 75 Cb 1.50 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.89 1x0n h SER 75 CO 0.01 0.47 0.16 0.07 -1.14 0.00 0.00 176.83 176.41 1x0n h LYS 76 N 0.83 0.00 -7.01 3.45 2.10 -1.25 -3.42 116.57 111.27 1x0n h LYS 76 Ca 0.29 0.00 -0.38 0.00 -2.00 0.00 0.00 60.65 58.56 1x0n h LYS 76 Cb 0.06 0.00 0.22 0.00 -0.90 0.00 0.00 32.23 31.61 1x0n h LYS 76 CO -0.13 0.00 -0.14 -0.65 -2.00 0.00 0.00 179.45 176.53 1x0n s GLN 77 N -4.66 -3.23 -0.02 0.07 -1.52 -0.28 -5.01 119.66 105.02 1x0n s GLN 77 Ca -0.05 0.08 0.01 0.00 -1.95 0.00 0.00 55.36 53.46 1x0n s GLN 77 Cb 0.15 -1.35 -0.02 0.00 -0.22 0.00 0.00 33.01 31.58 1x0n s GLN 77 CO 0.56 -5.06 0.00 0.54 -0.25 0.00 0.00 175.29 171.08 1x0n n ARG 78 N -5.75 3.24 -1.09 2.91 5.12 -1.26 -5.06 116.66 114.77 1x0n n ARG 78 Ca 0.14 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.83 1x0n n ARG 78 Cb 0.61 -1.05 0.17 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 -2.13 -3.83 -3.98 -1.55 8.25 -1.26 -5.06 115.22 105.66 1x0n n HIS 79 Ca -0.03 -0.82 -0.30 0.00 -0.26 0.00 0.00 57.72 56.31 1x0n n HIS 79 Cb 0.56 -0.82 -0.16 0.00 1.12 0.00 0.00 29.99 30.69 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 -4.18 3.57 0.00 0.41 1.11 -1.26 -4.70 116.67 111.62 1x0n s ASP 80 Ca 0.55 -0.99 0.00 0.00 0.18 0.00 0.00 52.55 52.29 1x0n s ASP 80 Cb -0.04 -1.22 0.00 0.00 1.07 0.00 0.00 42.92 42.73 1x0n s ASP 80 CO 0.41 -0.18 0.00 0.61 1.18 0.00 0.00 175.17 177.19 1x0n n GLY 81 N 4.67 1.89 3.70 0.21 0.00 -1.22 -4.63 105.19 109.82 1x0n n GLY 81 Ca -0.14 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 n ALA 82 N -0.22 2.40 -2.78 4.61 0.00 -1.26 -0.46 120.51 122.80 1x0n n ALA 82 Ca 0.00 0.33 -0.28 0.00 0.00 0.00 0.00 53.44 53.49 1x0n n ALA 82 Cb 0.00 -2.59 -0.06 0.00 0.00 0.00 0.00 19.45 16.80 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 2.41 3.15 -0.24 0.00 -0.71 -1.15 -0.84 117.98 120.61 1x0n s PHE 83 Ca 0.80 0.02 -0.07 0.00 -1.04 0.00 0.00 56.93 56.65 1x0n s PHE 83 Cb -0.47 -1.56 0.11 0.00 -1.21 0.00 0.00 43.02 39.89 1x0n s PHE 83 CO 0.36 0.52 0.49 -1.17 -1.34 0.00 0.00 175.22 174.07 1x0n s LEU 84 N -2.74 -0.84 -0.15 -1.99 0.20 -0.13 -4.39 118.68 108.63 1x0n s LEU 84 Ca 0.30 1.04 -0.15 0.00 0.69 0.00 0.00 54.13 56.01 1x0n s LEU 84 Cb -0.11 1.64 -0.04 0.00 -0.43 0.00 0.00 46.19 47.24 1x0n s LEU 84 CO 0.22 -0.24 0.36 -0.63 -0.29 0.00 0.00 176.35 175.77 1x0n s ILE 85 N 2.70 5.26 0.29 6.68 1.01 -0.35 -0.83 121.20 135.96 1x0n s ILE 85 Ca 0.01 0.68 0.11 0.00 0.00 0.00 0.00 60.65 61.45 1x0n s ILE 85 Cb -0.13 -3.70 -0.05 0.00 0.01 0.00 0.00 42.46 38.59 1x0n s ILE 85 CO -0.15 0.35 -0.18 0.00 0.00 0.00 0.00 174.94 174.96 1x0n s ARG 86 N 0.63 1.68 -0.11 2.79 3.03 -0.21 -0.58 118.95 126.19 1x0n s ARG 86 Ca 0.19 -1.78 -0.00 0.00 2.03 0.00 0.00 55.73 56.17 1x0n s ARG 86 Cb -0.14 -1.71 -0.02 0.00 -1.03 0.00 0.00 34.95 32.05 1x0n s ARG 86 CO 0.06 0.29 -0.10 -2.00 -1.13 0.00 0.00 175.30 172.42 1x0n s GLU 87 N -3.54 3.17 0.40 3.89 2.12 -0.94 -2.05 118.70 121.75 1x0n s GLU 87 Ca 0.30 -0.62 -0.27 0.00 0.36 0.00 0.00 54.97 54.74 1x0n s GLU 87 Cb -0.04 -2.64 -0.09 0.00 0.26 0.00 0.00 34.13 31.62 1x0n s GLU 87 CO 0.15 0.38 1.38 0.45 -0.54 0.00 0.00 175.26 177.08 1x0n s SER 88 N -0.07 6.30 0.09 -1.70 0.15 -1.21 -2.74 113.70 114.51 1x0n s SER 88 Ca -0.01 2.82 -0.05 0.00 0.70 0.00 0.00 55.95 59.40 1x0n s SER 88 Cb -0.14 -2.65 -0.23 0.00 -1.71 0.00 0.00 66.02 61.29 1x0n s SER 88 CO 0.03 -0.88 1.18 1.05 1.20 0.00 0.00 173.24 175.83 1x0n h GLU 89 N 2.80 0.34 -0.02 5.44 4.11 -1.96 -3.26 114.58 122.04 1x0n h GLU 89 Ca -0.50 -0.50 0.00 0.00 0.07 0.00 0.00 59.36 58.43 1x0n h GLU 89 Cb 1.25 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.67 1x0n h GLU 89 CO 0.63 1.21 -0.26 0.43 0.07 0.00 0.00 179.01 181.09 1x0n n SER 90 N -3.62 1.86 -3.66 3.06 7.64 -1.26 -4.65 113.62 112.98 1x0n n SER 90 Ca -0.09 -1.43 -0.29 0.00 1.01 0.00 0.00 58.87 58.07 1x0n n SER 90 Cb 0.97 0.22 -0.12 0.00 -1.01 0.00 0.00 64.21 64.27 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 -2.33 2.08 -0.06 -0.43 0.00 -1.23 -5.10 121.76 114.69 1x0n s ALA 91 Ca 0.25 -2.61 -0.30 0.00 0.00 0.00 0.00 51.96 49.30 1x0n s ALA 91 Cb 0.19 -1.85 -0.05 0.00 0.00 0.00 0.00 23.12 21.42 1x0n s ALA 91 CO 0.47 -2.06 1.49 -1.25 0.00 0.00 0.00 175.76 174.41 1x0n s PRO 92 N 0.23 4.22 0.00 0.00 0.04 -1.26 -2.61 135.00 135.62 1x0n s PRO 92 Ca 0.20 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.25 1x0n s PRO 92 Cb -0.19 -3.80 0.00 0.00 0.04 0.00 0.00 34.50 30.55 1x0n s PRO 92 CO -0.04 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 176.68 1x0n n GLY 93 N 3.87 1.65 3.73 0.56 0.00 -1.26 -5.07 105.19 108.66 1x0n n GLY 93 Ca 0.15 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 -1.68 7.28 0.03 1.61 -1.08 -1.07 -5.06 116.67 116.69 1x0n s ASP 94 Ca 0.00 1.54 0.06 0.00 -0.52 0.00 0.00 52.55 53.63 1x0n s ASP 94 Cb 0.00 -2.51 -0.03 0.00 -1.46 0.00 0.00 42.92 38.91 1x0n s ASP 94 CO 0.00 -0.11 -0.17 -0.36 0.52 0.00 0.00 175.17 175.05 1x0n s PHE 95 N 0.43 2.59 -0.07 -5.34 0.08 -1.26 -3.35 117.98 111.06 1x0n s PHE 95 Ca 0.44 -0.24 -0.03 0.00 0.12 0.00 0.00 56.93 57.23 1x0n s PHE 95 Cb -0.21 -1.49 0.04 0.00 -0.57 0.00 0.00 43.02 40.79 1x0n s PHE 95 CO 0.25 0.24 0.14 -1.54 -0.10 0.00 0.00 175.22 174.21 1x0n s SER 96 N -1.34 0.54 0.24 1.36 1.04 -0.87 -2.67 113.70 112.00 1x0n s SER 96 Ca 0.14 0.28 -0.14 0.00 0.48 0.00 0.00 55.95 56.71 1x0n s SER 96 Cb -0.11 0.19 -0.08 0.00 0.10 0.00 0.00 66.02 66.13 1x0n s SER 96 CO 0.05 -0.21 0.64 -0.22 0.98 0.00 0.00 173.24 174.48 1x0n s LEU 97 N 1.93 4.20 -0.26 2.42 2.96 -0.97 -1.04 118.68 127.93 1x0n s LEU 97 Ca -0.00 1.17 -0.04 0.00 -0.22 0.00 0.00 54.13 55.03 1x0n s LEU 97 Cb -0.12 -3.71 0.09 0.00 0.50 0.00 0.00 46.19 42.95 1x0n s LEU 97 CO -0.05 -0.06 0.11 -0.55 -1.32 0.00 0.00 176.35 174.48 1x0n s SER 98 N -2.06 3.24 0.17 3.68 0.15 -0.01 -0.51 113.70 118.35 1x0n s SER 98 Ca 0.47 -1.12 0.00 0.00 0.70 0.00 0.00 55.95 56.00 1x0n s SER 98 Cb -0.13 -0.37 -0.04 0.00 -1.71 0.00 0.00 66.02 63.77 1x0n s SER 98 CO 0.19 -0.41 0.34 0.54 1.20 0.00 0.00 173.24 175.10 1x0n s VAL 99 N 2.06 5.26 -0.05 4.45 0.11 0.38 -0.96 120.40 131.64 1x0n s VAL 99 Ca 0.07 -0.45 -0.16 0.00 -2.93 0.00 0.00 61.98 58.51 1x0n s VAL 99 Cb -0.16 -3.72 -0.05 0.00 -1.53 0.00 0.00 36.38 30.92 1x0n s VAL 99 CO -0.27 -0.11 0.42 -0.75 -3.33 0.00 0.00 175.10 171.06 1x0n s LYS 100 N -3.19 4.10 -0.38 1.54 2.20 -0.02 -1.08 119.74 122.91 1x0n s LYS 100 Ca 0.37 0.40 0.01 0.00 -0.36 0.00 0.00 55.97 56.39 1x0n s LYS 100 Cb -0.11 -3.31 0.12 0.00 -1.51 0.00 0.00 37.83 33.02 1x0n s LYS 100 CO 0.29 0.47 0.18 -0.06 -0.36 0.00 0.00 175.35 175.86 1x0n s PHE 101 N -0.36 1.74 0.00 4.03 0.08 0.26 -3.37 117.98 120.36 1x0n s PHE 101 Ca 0.24 -2.08 0.00 0.00 0.12 0.00 0.00 56.93 55.21 1x0n s PHE 101 Cb -0.16 -1.72 0.00 0.00 -0.57 0.00 0.00 43.02 40.57 1x0n s PHE 101 CO 0.11 -0.83 0.00 0.41 -0.10 0.00 0.00 175.22 174.82 1x0n n GLY 102 N 4.10 1.55 1.86 4.36 0.00 -1.26 0.65 105.19 116.44 1x0n n GLY 102 Ca 0.05 0.49 -0.08 0.00 0.00 0.00 0.00 46.02 46.49 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 8.49 4.33 -3.74 1.61 4.13 -1.26 -4.91 115.26 123.91 1x0n n ASN 103 Ca 0.00 -3.34 -0.13 0.00 1.68 0.00 0.00 54.58 52.80 1x0n n ASN 103 Cb 0.00 -0.73 -0.10 0.00 -1.54 0.00 0.00 39.78 37.40 1x0n n ASN 103 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1x0n s ASP 104 N -1.32 -0.39 -0.20 6.41 -1.08 0.21 -5.15 116.67 115.14 1x0n s ASP 104 Ca 0.53 0.75 -0.05 0.00 -0.52 0.00 0.00 52.55 53.27 1x0n s ASP 104 Cb 0.44 0.75 -0.02 0.00 -1.46 0.00 0.00 42.92 42.62 1x0n s ASP 104 CO 0.11 -0.13 -0.00 -0.69 0.52 0.00 0.00 175.17 174.98 1x0n s VAL 105 N 0.31 3.92 0.46 1.11 1.01 -1.26 0.88 120.40 126.83 1x0n s VAL 105 Ca -0.01 -0.32 0.07 0.00 0.00 0.00 0.00 61.98 61.72 1x0n s VAL 105 Cb -0.03 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 1x0n s VAL 105 CO -0.01 0.42 0.29 -1.10 0.00 0.00 0.00 175.10 174.70 1x0n s GLN 106 N 1.07 2.31 0.10 2.72 -1.52 -0.25 -4.96 119.66 119.14 1x0n s GLN 106 Ca 0.02 -1.85 -0.10 0.00 -1.95 0.00 0.00 55.36 51.48 1x0n s GLN 106 Cb -0.14 -2.09 0.01 0.00 -0.22 0.00 0.00 33.01 30.56 1x0n s GLN 106 CO 0.01 -0.29 0.25 -3.38 -0.25 0.00 0.00 175.29 171.63 1x0n s HIS 107 N -2.63 0.10 -0.14 0.91 -3.43 -1.26 -0.47 115.29 108.37 1x0n s HIS 107 Ca 0.39 -0.49 -0.01 0.00 -0.80 0.00 0.00 55.06 54.15 1x0n s HIS 107 Cb 0.00 0.01 0.03 0.00 -1.43 0.00 0.00 32.58 31.20 1x0n s HIS 107 CO 0.23 -0.60 -0.05 -0.06 -2.00 0.00 0.00 174.74 172.26 1x0n s PHE 108 N -3.86 1.44 -0.19 0.38 0.40 0.33 -4.96 117.98 111.53 1x0n s PHE 108 Ca 0.06 -0.82 -0.29 0.00 -0.60 0.00 0.00 56.93 55.28 1x0n s PHE 108 Cb 0.04 -1.20 -0.04 0.00 0.51 0.00 0.00 43.02 42.33 1x0n s PHE 108 CO -0.10 -0.54 1.89 0.15 0.70 0.00 0.00 175.22 177.32 1x0n s LYS 109 N 1.72 3.60 0.02 0.44 1.02 -1.26 -2.28 119.74 123.00 1x0n s LYS 109 Ca 0.03 1.92 -0.30 0.00 0.02 0.00 0.00 55.97 57.63 1x0n s LYS 109 Cb -0.14 -4.18 -0.05 0.00 -0.52 0.00 0.00 37.83 32.94 1x0n s LYS 109 CO -0.08 -1.55 1.16 0.08 -0.92 0.00 0.00 175.35 174.05 1x0n s VAL 110 N 6.22 4.22 0.04 3.17 1.01 -1.09 -4.95 120.40 129.02 1x0n s VAL 110 Ca 0.84 1.59 0.01 0.00 0.00 0.00 0.00 61.98 64.42 1x0n s VAL 110 Cb -0.30 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 1x0n s VAL 110 CO 0.34 0.09 0.08 -0.76 0.00 0.00 0.00 175.10 174.86 1x0n s LEU 111 N 1.32 3.86 0.18 3.92 1.02 -0.74 -4.65 118.68 123.59 1x0n s LEU 111 Ca 0.57 0.08 -0.00 0.00 0.02 0.00 0.00 54.13 54.80 1x0n s LEU 111 Cb -0.27 -2.39 -0.04 0.00 0.02 0.00 0.00 46.19 43.51 1x0n s LEU 111 CO 0.27 0.22 0.07 -0.13 0.02 0.00 0.00 176.35 176.81 1x0n s ARG 112 N -2.05 1.10 0.00 1.70 3.00 -1.26 -0.47 118.95 120.98 1x0n s ARG 112 Ca 0.26 -1.55 0.00 0.00 0.00 0.00 0.00 55.73 54.44 1x0n s ARG 112 Cb -0.12 0.08 0.00 0.00 0.00 0.00 0.00 34.95 34.91 1x0n s ARG 112 CO 0.18 -0.27 0.00 -0.25 0.00 0.00 0.00 175.30 174.96 1x0n n ASP 113 N -0.22 0.09 -1.92 0.23 9.92 -0.83 -4.99 116.55 118.83 1x0n n ASP 113 Ca -0.03 -0.96 -0.19 0.00 -0.53 0.00 0.00 54.79 53.08 1x0n n ASP 113 Cb 0.65 0.00 0.10 0.00 -0.64 0.00 0.00 41.12 41.23 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 5.00 4.09 0.22 0.44 0.00 -1.26 -4.11 105.19 109.57 1x0n n GLY 114 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.47 2.12 0.00 4.61 0.00 -1.26 -5.06 120.51 120.45 1x0n n ALA 115 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1x0n n ALA 115 Cb 1.07 0.09 0.00 0.00 0.00 0.00 0.00 19.45 20.61 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 1.84 0.32 3.43 0.00 0.00 -1.26 -5.15 105.19 104.36 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 2.84 0.12 1.61 3.01 -1.26 -4.80 119.74 121.26 1x0n s LYS 117 Ca 0.00 -0.70 0.00 0.00 -1.01 0.00 0.00 55.97 54.26 1x0n s LYS 117 Cb 0.00 -2.46 -0.04 0.00 -1.01 0.00 0.00 37.83 34.32 1x0n s LYS 117 CO 0.00 0.46 0.28 0.71 0.51 0.00 0.00 175.35 177.31 1x0n s TYR 118 N -0.29 3.50 0.06 3.18 2.02 -0.85 -1.97 117.35 122.99 1x0n s TYR 118 Ca 0.02 0.26 -0.28 0.00 -0.37 0.00 0.00 57.07 56.70 1x0n s TYR 118 Cb -0.13 -1.77 0.09 0.00 -0.40 0.00 0.00 41.96 39.75 1x0n s TYR 118 CO 0.03 0.51 1.12 -0.59 -1.57 0.00 0.00 175.55 175.05 1x0n s PHE 119 N -1.66 -0.09 0.00 2.71 -0.12 0.38 -0.83 117.98 118.37 1x0n s PHE 119 Ca 0.36 -0.10 0.00 0.00 -0.05 0.00 0.00 56.93 57.14 1x0n s PHE 119 Cb -0.12 0.59 0.00 0.00 -0.63 0.00 0.00 43.02 42.86 1x0n s PHE 119 CO 0.28 -0.53 0.00 1.28 -0.05 0.00 0.00 175.22 176.20 1x0n n LEU 120 N -0.46 0.00 -0.07 -1.99 4.32 -1.10 -1.79 117.00 115.90 1x0n n LEU 120 Ca -0.07 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.80 1x0n n LEU 120 Cb 0.62 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.32 1x0n n LEU 120 CO 0.13 0.00 0.14 -0.50 -1.22 0.00 0.00 177.39 175.94 1x0n h TRP 121 N 0.00 0.00 0.00 -1.77 4.06 -2.00 -3.47 115.95 112.77 1x0n h TRP 121 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1x0n h TRP 121 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1x0n h TRP 121 CO 0.00 0.79 0.00 1.55 -3.56 0.00 0.00 178.44 177.22 1x0n n VAL 122 N -4.62 0.00 -2.05 1.49 3.14 -1.26 -5.11 118.33 109.92 1x0n n VAL 122 Ca -0.11 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 60.88 1x0n n VAL 122 Cb 0.39 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 33.16 1x0n n VAL 122 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1x0n s VAL 123 N -1.00 2.60 0.16 1.55 0.11 -1.26 -5.03 120.40 117.53 1x0n s VAL 123 Ca 0.00 0.56 -0.02 0.00 -2.93 0.00 0.00 61.98 59.59 1x0n s VAL 123 Cb 0.00 -3.34 -0.04 0.00 -1.53 0.00 0.00 36.38 31.48 1x0n s VAL 123 CO 0.00 0.10 0.11 -1.59 -3.33 0.00 0.00 175.10 170.39 1x0n s LYS 124 N -2.13 1.06 0.37 1.54 -2.85 -1.26 -2.73 119.74 113.74 1x0n s LYS 124 Ca 0.55 -1.48 -0.13 0.00 -1.00 0.00 0.00 55.97 53.91 1x0n s LYS 124 Cb -0.39 0.27 0.04 0.00 -2.06 0.00 0.00 37.83 35.69 1x0n s LYS 124 CO 0.51 -0.33 0.72 -0.06 0.10 0.00 0.00 175.35 176.28 1x0n s PHE 125 N -4.08 0.31 -0.13 1.78 0.08 -0.01 -4.98 117.98 110.95 1x0n s PHE 125 Ca 0.29 -0.88 -0.13 0.00 0.12 0.00 0.00 56.93 56.33 1x0n s PHE 125 Cb 0.07 0.63 -0.25 0.00 -0.57 0.00 0.00 43.02 42.89 1x0n s PHE 125 CO 0.05 -1.46 0.42 -2.95 -0.10 0.00 0.00 175.22 171.19 1x0n h ASN 126 N 2.03 0.33 -1.94 1.36 7.08 -1.87 -2.25 115.58 120.31 1x0n h ASN 126 Ca -0.31 -0.83 -0.60 0.00 -3.08 0.00 0.00 56.30 51.49 1x0n h ASN 126 Cb 1.25 -0.11 -0.12 0.00 -2.08 0.00 0.00 38.32 37.26 1x0n h ASN 126 CO 0.39 1.70 -0.65 -0.55 -2.08 0.00 0.00 177.43 176.25 1x0n s SER 127 N -7.02 4.00 -0.01 6.14 0.15 -1.26 -4.58 113.70 111.11 1x0n s SER 127 Ca -0.22 -1.06 -0.22 0.00 0.70 0.00 0.00 55.95 55.14 1x0n s SER 127 Cb 0.06 -0.46 -0.15 0.00 -1.71 0.00 0.00 66.02 63.76 1x0n s SER 127 CO 0.74 -0.21 1.01 -0.07 1.20 0.00 0.00 173.24 175.91 1x0n h LEU 128 N 1.91 -0.39 -0.89 3.45 3.38 -1.98 -3.21 115.31 117.59 1x0n h LEU 128 Ca -0.42 -0.16 0.29 0.00 0.09 0.00 0.00 57.88 57.68 1x0n h LEU 128 Cb 1.25 0.10 -0.16 0.00 0.09 0.00 0.00 40.66 41.94 1x0n h LEU 128 CO 0.68 0.04 0.20 -3.20 0.09 0.00 0.00 178.44 176.24 1x0n n ASN 129 N -5.12 0.06 -0.25 -0.43 5.15 -1.26 0.20 115.26 113.60 1x0n n ASN 129 Ca -0.09 1.49 -0.02 0.00 -0.60 0.00 0.00 54.58 55.36 1x0n n ASN 129 Cb 0.27 -0.61 0.09 0.00 -0.53 0.00 0.00 39.78 39.00 1x0n n ASN 129 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1x0n h GLU 130 N 0.00 0.80 -0.61 1.20 3.07 -1.99 -1.15 114.58 115.90 1x0n h GLU 130 Ca 0.62 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 59.36 1x0n h GLU 130 Cb 1.45 -0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 29.15 1x0n h GLU 130 CO -0.78 0.53 0.08 -0.07 -1.40 0.00 0.00 179.01 177.38 1x0n h LEU 131 N 0.83 0.97 -0.94 1.33 4.07 0.21 -2.44 115.31 119.34 1x0n h LEU 131 Ca 0.30 -0.23 -0.06 0.00 0.08 0.00 0.00 57.88 57.96 1x0n h LEU 131 Cb 0.08 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.54 1x0n h LEU 131 CO -0.14 0.98 0.07 0.58 -1.08 0.00 0.00 178.44 178.86 1x0n h VAL 132 N 0.95 1.24 0.50 1.22 2.07 -0.60 -1.07 116.25 120.56 1x0n h VAL 132 Ca 0.19 -0.92 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 1x0n h VAL 132 Cb 0.44 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1x0n h VAL 132 CO 0.01 0.34 -0.24 -0.78 0.02 0.00 0.00 177.57 176.92 1x0n h ASP 133 N 0.80 -0.57 0.12 0.57 1.82 -0.95 0.58 116.42 118.80 1x0n h ASP 133 Ca 0.17 0.02 0.02 0.00 -0.39 0.00 0.00 57.03 56.84 1x0n h ASP 133 Cb 0.38 0.15 -0.04 0.00 0.68 0.00 0.00 39.33 40.49 1x0n h ASP 133 CO 0.01 -0.32 -0.41 0.22 -1.61 0.00 0.00 179.24 177.12 1x0n h TYR 134 N -0.84 -1.15 -0.26 0.28 3.20 -1.48 -0.19 116.97 116.52 1x0n h TYR 134 Ca -0.07 0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.91 1x0n h TYR 134 Cb 0.52 0.49 -0.01 0.00 1.54 0.00 0.00 36.73 39.26 1x0n h TYR 134 CO 0.06 -0.51 0.21 1.25 -1.64 0.00 0.00 178.16 177.53 1x0n h HIS 135 N -0.65 0.00 0.00 -3.82 2.76 -1.29 0.19 115.15 112.35 1x0n h HIS 135 Ca 0.02 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.11 1x0n h HIS 135 Cb 0.67 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.62 1x0n h HIS 135 CO -0.36 0.00 -0.38 -0.09 -1.30 0.00 0.00 177.93 175.80 1x0n h ARG 136 N 0.00 0.00 0.00 5.26 1.12 0.84 -2.99 114.38 118.61 1x0n h ARG 136 Ca 0.13 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.00 1x0n h ARG 136 Cb 0.54 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.50 1x0n h ARG 136 CO -0.00 0.38 -1.06 0.45 -3.11 0.00 0.00 179.97 176.62 1x0n n SER 137 N -3.49 0.67 -4.42 -3.80 2.88 0.47 -3.81 113.62 102.13 1x0n n SER 137 Ca 0.00 -0.48 -0.27 0.00 -1.33 0.00 0.00 58.87 56.79 1x0n n SER 137 Cb 0.53 0.94 -0.12 0.00 -0.75 0.00 0.00 64.21 64.81 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 -3.14 2.31 0.99 2.46 -1.32 0.04 -5.09 115.64 111.90 1x0n s THR 138 Ca 0.05 -2.02 -0.16 0.00 -1.21 0.00 0.00 61.69 58.35 1x0n s THR 138 Cb 0.15 -2.10 -0.11 0.00 -1.51 0.00 0.00 72.50 68.94 1x0n s THR 138 CO 0.83 -0.13 -0.55 -1.54 -2.21 0.00 0.00 174.62 171.01 1x0n n SER 139 N 0.28 -5.10 0.02 8.08 3.41 -1.26 -4.70 113.62 114.36 1x0n n SER 139 Ca -0.13 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1x0n n SER 139 Cb 0.56 -0.85 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 0.55 -0.16 0.00 0.00 175.04 175.43 1x0n n VAL 140 N -2.78 0.11 -3.23 -3.33 3.14 -1.24 -4.92 118.33 106.09 1x0n n VAL 140 Ca -0.00 0.04 -0.39 0.00 -2.96 0.00 0.00 64.34 61.03 1x0n n VAL 140 Cb 0.56 -0.93 -0.06 0.00 -1.06 0.00 0.00 33.84 32.35 1x0n n VAL 140 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1x0n s SER 141 N -5.09 7.09 -0.20 6.55 0.01 -1.26 -4.96 113.70 115.83 1x0n s SER 141 Ca 0.00 1.29 0.01 0.00 1.31 0.00 0.00 55.95 58.56 1x0n s SER 141 Cb 0.00 -2.38 0.22 0.00 0.21 0.00 0.00 66.02 64.08 1x0n s SER 141 CO 0.00 0.24 1.58 0.54 0.41 0.00 0.00 173.24 176.01 1x0n n ARG 142 N 1.88 1.53 0.02 12.44 1.74 -1.26 -3.97 116.66 129.04 1x0n n ARG 142 Ca -0.09 -1.18 0.00 0.00 -0.77 0.00 0.00 57.85 55.81 1x0n n ARG 142 Cb 0.51 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 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 0.12 0.10 -4.29 0.55 2.85 -1.26 -5.13 115.26 108.20 1x0n n ASN 143 Ca 0.23 0.07 -0.29 0.00 -0.11 0.00 0.00 54.58 54.48 1x0n n ASN 143 Cb 0.81 0.01 -0.07 0.00 1.24 0.00 0.00 39.78 41.77 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 -2.91 0.69 -3.49 1.20 6.02 -1.25 -5.10 117.38 112.52 1x0n n GLN 144 Ca 0.00 -3.57 -0.42 0.00 -0.01 0.00 0.00 57.00 52.99 1x0n n GLN 144 Cb 0.20 1.40 -0.06 0.00 1.02 0.00 0.00 30.24 32.80 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 -3.70 3.10 0.04 -1.09 -0.21 -1.26 -4.53 119.66 112.01 1x0n s GLN 145 Ca 0.10 -2.41 0.03 0.00 0.02 0.00 0.00 55.36 53.11 1x0n s GLN 145 Cb 0.00 -4.12 -0.02 0.00 1.00 0.00 0.00 33.01 29.87 1x0n s GLN 145 CO 0.07 -1.24 -0.11 0.42 -2.12 0.00 0.00 175.29 172.31 1x0n s ILE 146 N 0.22 0.81 0.17 1.08 1.01 -1.26 -5.10 121.20 118.14 1x0n s ILE 146 Ca 0.16 -0.96 0.08 0.00 0.00 0.00 0.00 60.65 59.93 1x0n s ILE 146 Cb -0.16 -0.78 -0.04 0.00 0.01 0.00 0.00 42.46 41.49 1x0n s ILE 146 CO -0.06 -0.15 -0.06 -0.36 0.00 0.00 0.00 174.94 174.32 1x0n s PHE 147 N -1.00 2.72 -0.41 3.97 0.08 -1.26 -3.60 117.98 118.48 1x0n s PHE 147 Ca -0.03 -0.18 -0.28 0.00 0.12 0.00 0.00 56.93 56.55 1x0n s PHE 147 Cb -0.08 -1.33 0.00 0.00 -0.57 0.00 0.00 43.02 41.04 1x0n s PHE 147 CO 0.01 0.51 1.54 -0.51 -0.10 0.00 0.00 175.22 176.67 1x0n s LEU 148 N -2.85 3.53 0.18 -0.37 1.43 -1.25 -4.61 118.68 114.74 1x0n s LEU 148 Ca 0.26 0.88 -0.30 0.00 -1.03 0.00 0.00 54.13 53.94 1x0n s LEU 148 Cb -0.09 -3.43 -0.07 0.00 0.03 0.00 0.00 46.19 42.62 1x0n s LEU 148 CO 0.17 -1.59 0.95 -0.13 0.23 0.00 0.00 176.35 175.97 1x0n s ARG 149 N 5.31 4.78 -0.30 1.70 1.81 0.39 -4.77 118.95 127.87 1x0n s ARG 149 Ca 0.66 1.47 -0.28 0.00 -1.72 0.00 0.00 55.73 55.85 1x0n s ARG 149 Cb -0.16 -3.32 -0.04 0.00 -0.45 0.00 0.00 34.95 30.98 1x0n s ARG 149 CO 0.32 0.38 2.04 0.34 -0.68 0.00 0.00 175.30 177.69 1x0n s ASP 150 N -0.63 5.56 0.62 0.23 -1.08 -1.26 -2.93 116.67 117.18 1x0n s ASP 150 Ca 0.44 1.53 -0.18 0.00 -0.52 0.00 0.00 52.55 53.81 1x0n s ASP 150 Cb -0.25 -2.52 -0.03 0.00 -1.46 0.00 0.00 42.92 38.66 1x0n s ASP 150 CO 0.31 -1.93 1.11 0.00 0.52 0.00 0.00 175.17 175.18 1x0n n ILE 151 N 7.61 4.24 -3.52 4.11 3.06 -1.26 -4.96 119.36 128.64 1x0n n ILE 151 Ca 0.27 -0.50 -0.42 0.00 -2.50 0.00 0.00 62.75 59.60 1x0n n ILE 151 Cb 0.47 -1.30 -0.07 0.00 0.54 0.00 0.00 39.64 39.27 1x0n n ILE 151 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 1x0n s GLU 152 N -3.02 2.79 0.42 9.51 2.02 -1.26 -4.88 118.70 124.29 1x0n s GLU 152 Ca 0.79 -2.11 -0.14 0.00 0.02 0.00 0.00 54.97 53.53 1x0n s GLU 152 Cb -0.40 -4.02 -0.12 0.00 0.10 0.00 0.00 34.13 29.69 1x0n s GLU 152 CO 0.44 -1.22 -0.14 0.94 0.02 0.00 0.00 175.26 175.30 1x0n n GLN 153 N 4.37 0.00 -1.11 1.61 -0.06 -1.26 -4.62 117.38 116.31 1x0n n GLN 153 Ca 0.01 0.00 -0.39 0.00 -2.00 0.00 0.00 57.00 54.61 1x0n n GLN 153 Cb 0.41 -0.77 -0.03 0.00 -4.06 0.00 0.00 30.24 25.79 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 -1.23 1.29 -1.49 1.69 3.14 -1.26 -4.88 118.33 115.60 1x0n n VAL 154 Ca 0.05 -0.32 -0.32 0.00 -2.96 0.00 0.00 64.34 60.79 1x0n n VAL 154 Cb 0.37 0.00 0.07 0.00 -1.06 0.00 0.00 33.84 33.22 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 -0.64 2.50 -0.24 1.45 0.04 -1.26 -5.05 135.00 131.79 1x0n s PRO 155 Ca 0.54 1.27 -0.03 0.00 0.04 0.00 0.00 61.00 62.83 1x0n s PRO 155 Cb -0.78 -1.92 0.08 0.00 0.04 0.00 0.00 34.50 31.92 1x0n s PRO 155 CO 0.44 -1.47 0.08 -1.14 0.04 0.00 0.00 177.00 174.95 1x0n s GLN 156 N -4.53 0.48 -0.36 4.56 2.00 -1.26 -5.09 119.66 115.46 1x0n s GLN 156 Ca 0.64 -0.55 -0.33 0.00 -2.00 0.00 0.00 55.36 53.12 1x0n s GLN 156 Cb -0.19 -1.84 -0.14 0.00 0.80 0.00 0.00 33.01 31.64 1x0n s GLN 156 CO 0.49 -0.81 1.23 1.04 -0.50 0.00 0.00 175.29 176.75 1x0n n GLN 157 N 5.08 0.00 -1.12 1.67 3.00 -1.26 -4.88 117.38 119.87 1x0n n GLN 157 Ca -0.06 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.63 1x0n n GLN 157 Cb 0.45 -1.08 0.21 0.00 0.00 0.00 0.00 30.24 29.82 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 2.60 -0.53 0.00 -1.09 0.04 -1.26 -5.36 135.00 129.40 1x0n s PRO 158 Ca 0.78 0.18 0.27 0.00 0.04 0.00 0.00 61.00 62.27 1x0n s PRO 158 Cb -1.08 -1.65 1.63 0.00 0.04 0.00 0.00 34.50 33.43 1x0n s PRO 158 CO 0.57 -3.30 1.98 2.41 0.04 0.00 0.00 177.00 178.69