#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 1.54 -0.03 5.87 5.36 -1.26 -0.97 117.98 128.49 1x0n s PHE 61 Ca 0.00 -0.49 -0.02 0.00 -0.96 0.00 0.00 56.93 55.47 1x0n s PHE 61 Cb 0.00 -0.82 0.02 0.00 -0.34 0.00 0.00 43.02 41.89 1x0n s PHE 61 CO 0.00 0.18 0.07 -0.06 -1.46 0.00 0.00 175.22 173.95 1x0n s PHE 62 N -1.74 -0.06 0.00 10.12 0.40 -0.04 -4.88 117.98 121.78 1x0n s PHE 62 Ca 0.08 0.24 0.00 0.00 -0.60 0.00 0.00 56.93 56.65 1x0n s PHE 62 Cb -0.07 -0.11 0.00 0.00 0.51 0.00 0.00 43.02 43.35 1x0n s PHE 62 CO 0.04 -0.09 0.00 0.41 0.70 0.00 0.00 175.22 176.28 1x0n n GLY 63 N 3.82 -2.56 3.30 4.36 0.00 -1.26 -2.68 105.19 110.17 1x0n n GLY 63 Ca -0.22 -0.15 -0.44 0.00 0.00 0.00 0.00 46.02 45.20 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 2.87 -0.01 1.61 -0.14 -1.26 -2.55 119.74 120.26 1x0n s LYS 64 Ca 0.00 -1.64 0.02 0.00 -1.36 0.00 0.00 55.97 52.99 1x0n s LYS 64 Cb 0.00 -4.17 -0.00 0.00 -1.68 0.00 0.00 37.83 31.98 1x0n s LYS 64 CO 0.00 -1.23 -0.07 0.96 -0.76 0.00 0.00 175.35 174.25 1x0n s ILE 65 N 1.55 0.52 0.34 2.17 -5.25 -1.26 -5.09 121.20 114.18 1x0n s ILE 65 Ca 0.04 -0.28 -0.28 0.00 -0.99 0.00 0.00 60.65 59.14 1x0n s ILE 65 Cb -0.28 -0.44 -0.09 0.00 2.95 0.00 0.00 42.46 44.60 1x0n s ILE 65 CO 0.03 0.15 1.21 -2.16 -1.79 0.00 0.00 174.94 172.38 1x0n s PRO 66 N -0.14 4.32 0.27 0.37 0.04 -1.26 -4.83 135.00 133.77 1x0n s PRO 66 Ca 0.02 2.00 0.13 0.00 0.04 0.00 0.00 61.00 63.19 1x0n s PRO 66 Cb -0.03 -2.97 0.92 0.00 0.04 0.00 0.00 34.50 32.47 1x0n s PRO 66 CO -0.00 -0.14 1.19 -2.13 0.04 0.00 0.00 177.00 175.96 1x0n n ARG 67 N 0.65 -0.05 0.26 4.56 0.63 -1.26 0.72 116.66 122.16 1x0n n ARG 67 Ca 0.01 1.07 -0.17 0.00 -0.92 0.00 0.00 57.85 57.84 1x0n n ARG 67 Cb 0.44 -1.86 -0.08 0.00 0.45 0.00 0.00 32.46 31.40 1x0n n ARG 67 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1x0n h ALA 68 N 1.52 -0.89 -0.86 5.13 0.00 -2.01 -2.40 119.26 119.75 1x0n h ALA 68 Ca 0.60 -0.15 0.21 0.00 0.00 0.00 0.00 54.91 55.57 1x0n h ALA 68 Cb 1.53 0.57 -0.12 0.00 0.00 0.00 0.00 17.79 19.77 1x0n h ALA 68 CO -0.61 -1.04 0.34 -0.22 0.00 0.00 0.00 179.25 177.72 1x0n h LYS 69 N -0.84 0.36 0.09 0.00 1.63 -0.05 -1.21 116.57 116.54 1x0n h LYS 69 Ca -0.04 -0.02 0.02 0.00 -0.85 0.00 0.00 60.65 59.76 1x0n h LYS 69 Cb 0.74 -0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 32.24 1x0n h LYS 69 CO -0.05 0.24 -0.36 0.00 -3.45 0.00 0.00 179.45 175.82 1x0n h ALA 70 N 1.69 -0.61 -0.68 5.00 0.00 -1.11 0.12 119.26 123.66 1x0n h ALA 70 Ca 0.52 -0.05 0.17 0.00 0.00 0.00 0.00 54.91 55.55 1x0n h ALA 70 Cb 0.97 0.61 -0.04 0.00 0.00 0.00 0.00 17.79 19.34 1x0n h ALA 70 CO -0.53 -0.91 0.48 0.93 0.00 0.00 0.00 179.25 179.22 1x0n h GLU 71 N -0.57 0.17 -0.07 0.00 4.39 -0.87 -1.10 114.58 116.52 1x0n h GLU 71 Ca 0.04 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.63 1x0n h GLU 71 Cb 0.62 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1x0n h GLU 71 CO -0.23 0.12 -0.32 0.93 -1.16 0.00 0.00 179.01 178.34 1x0n h GLU 72 N 0.18 0.34 -0.55 2.33 4.39 -0.58 0.14 114.58 120.83 1x0n h GLU 72 Ca 0.33 -0.28 0.12 0.00 0.34 0.00 0.00 59.36 59.88 1x0n h GLU 72 Cb 1.05 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.73 1x0n h GLU 72 CO -0.06 0.92 0.38 0.52 -1.16 0.00 0.00 179.01 179.61 1x0n h MET 73 N -0.15 0.21 0.00 2.33 2.86 0.43 0.77 114.93 121.39 1x0n h MET 73 Ca -0.02 -0.01 -0.19 0.00 -2.06 0.00 0.00 59.70 57.41 1x0n h MET 73 Cb 0.97 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.56 1x0n h MET 73 CO 0.07 0.14 -1.04 -0.07 1.06 0.00 0.00 176.91 177.06 1x0n h LEU 74 N 0.22 0.00 -0.58 1.22 3.38 -1.40 -3.36 115.31 114.80 1x0n h LEU 74 Ca 0.26 -0.60 0.11 0.00 0.09 0.00 0.00 57.88 57.74 1x0n h LEU 74 Cb 0.74 -0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.40 1x0n h LEU 74 CO -0.05 1.41 0.12 0.28 0.09 0.00 0.00 178.44 180.29 1x0n h SER 75 N -0.99 0.01 0.00 -0.43 0.02 -0.43 0.34 113.55 112.07 1x0n h SER 75 Ca -0.29 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1x0n h SER 75 Cb 1.26 0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.94 1x0n h SER 75 CO -0.17 0.02 0.24 0.07 -1.14 0.00 0.00 176.83 175.84 1x0n h LYS 76 N 0.26 0.00 -7.36 3.45 2.10 -1.03 -3.42 116.57 110.56 1x0n h LYS 76 Ca 0.30 0.00 -0.49 0.00 -2.00 0.00 0.00 60.65 58.46 1x0n h LYS 76 Cb 0.43 0.00 0.13 0.00 -0.90 0.00 0.00 32.23 31.89 1x0n h LYS 76 CO -0.38 0.00 0.30 -0.65 -2.00 0.00 0.00 179.45 176.72 1x0n s GLN 77 N -4.05 1.81 -0.23 0.07 -1.52 0.12 -5.01 119.66 110.85 1x0n s GLN 77 Ca -0.04 0.79 0.05 0.00 -1.95 0.00 0.00 55.36 54.21 1x0n s GLN 77 Cb 0.09 -1.87 -0.17 0.00 -0.22 0.00 0.00 33.01 30.84 1x0n s GLN 77 CO 0.30 -1.85 -0.17 0.54 -0.25 0.00 0.00 175.29 173.86 1x0n n ARG 78 N -3.61 0.66 -0.25 2.91 5.12 -1.26 -5.00 116.66 115.23 1x0n n ARG 78 Ca 0.07 0.11 -0.16 0.00 -1.93 0.00 0.00 57.85 55.95 1x0n n ARG 78 Cb 0.55 -1.49 0.15 0.00 -1.16 0.00 0.00 32.46 30.51 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 -3.12 -3.11 -3.83 -1.55 8.25 -1.26 -5.03 115.22 105.56 1x0n n HIS 79 Ca -0.41 -0.46 -0.29 0.00 -0.26 0.00 0.00 57.72 56.29 1x0n n HIS 79 Cb 0.99 -0.65 -0.16 0.00 1.12 0.00 0.00 29.99 31.30 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 -2.73 3.60 0.00 0.41 1.01 -1.26 -4.76 116.67 112.95 1x0n s ASP 80 Ca 0.36 -1.19 0.00 0.00 0.71 0.00 0.00 52.55 52.43 1x0n s ASP 80 Cb -0.06 -0.93 0.00 0.00 1.01 0.00 0.00 42.92 42.94 1x0n s ASP 80 CO 0.30 -0.30 0.00 0.61 0.21 0.00 0.00 175.17 175.98 1x0n n GLY 81 N 4.82 1.62 3.70 0.21 0.00 -1.25 -4.55 105.19 109.74 1x0n n GLY 81 Ca -0.08 0.00 -0.43 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 n ALA 82 N 0.00 2.40 -2.63 4.61 0.00 -1.25 -0.35 120.51 123.29 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 -2.53 -0.09 0.00 0.00 0.00 0.00 19.45 16.83 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 1.79 2.87 -0.23 0.00 -0.12 -1.08 -2.24 117.98 118.97 1x0n s PHE 83 Ca 0.78 -0.08 -0.04 0.00 -0.05 0.00 0.00 56.93 57.54 1x0n s PHE 83 Cb -0.52 -1.49 0.12 0.00 -0.63 0.00 0.00 43.02 40.50 1x0n s PHE 83 CO 0.35 0.45 0.41 -1.17 -0.05 0.00 0.00 175.22 175.21 1x0n s LEU 84 N -2.21 -0.69 -0.40 -1.99 0.20 -0.25 -3.97 118.68 109.36 1x0n s LEU 84 Ca 0.23 0.56 -0.20 0.00 0.69 0.00 0.00 54.13 55.42 1x0n s LEU 84 Cb -0.11 1.28 0.01 0.00 -0.43 0.00 0.00 46.19 46.94 1x0n s LEU 84 CO 0.16 -0.27 0.62 -0.63 -0.29 0.00 0.00 176.35 175.93 1x0n s ILE 85 N 2.59 4.88 0.15 6.68 1.01 -0.14 -0.49 121.20 135.88 1x0n s ILE 85 Ca 0.08 0.30 0.05 0.00 0.00 0.00 0.00 60.65 61.08 1x0n s ILE 85 Cb -0.14 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 1x0n s ILE 85 CO -0.15 -0.44 0.13 0.00 0.00 0.00 0.00 174.94 174.48 1x0n s ARG 86 N 2.70 2.90 -0.10 2.79 3.03 -0.16 -0.86 118.95 129.25 1x0n s ARG 86 Ca 0.22 -0.84 -0.01 0.00 2.03 0.00 0.00 55.73 57.13 1x0n s ARG 86 Cb -0.14 -2.66 -0.03 0.00 -1.03 0.00 0.00 34.95 31.09 1x0n s ARG 86 CO 0.17 0.49 -0.06 -2.00 -1.13 0.00 0.00 175.30 172.77 1x0n s GLU 87 N -3.02 3.14 1.02 3.89 2.12 -1.06 -2.15 118.70 122.65 1x0n s GLU 87 Ca 0.31 -0.54 -0.21 0.00 0.36 0.00 0.00 54.97 54.89 1x0n s GLU 87 Cb -0.10 -2.72 -0.09 0.00 0.26 0.00 0.00 34.13 31.47 1x0n s GLU 87 CO 0.23 0.48 -0.77 0.43 -0.54 0.00 0.00 175.26 175.10 1x0n n SER 88 N 2.77 -3.57 0.01 -1.70 7.64 -1.24 -4.42 113.62 113.11 1x0n n SER 88 Ca -0.18 0.07 0.11 0.00 1.01 0.00 0.00 58.87 59.88 1x0n n SER 88 Cb 0.53 -0.76 -0.13 0.00 -1.01 0.00 0.00 64.21 62.84 1x0n n SER 88 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1x0n n GLU 89 N 0.97 0.57 0.00 1.43 1.02 -1.26 -4.43 120.64 118.94 1x0n n GLU 89 Ca -0.00 -0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 1x0n n GLU 89 Cb 0.65 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 1x0n n GLU 89 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1x0n n SER 90 N -2.23 0.51 -3.90 1.62 7.64 -1.26 -4.97 113.62 111.03 1x0n n SER 90 Ca -0.02 -1.18 -0.30 0.00 1.01 0.00 0.00 58.87 58.38 1x0n n SER 90 Cb 0.54 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.59 1x0n n SER 90 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x0n s ALA 91 N -0.18 2.70 -0.08 -0.43 0.00 -1.26 -5.09 121.76 117.42 1x0n s ALA 91 Ca 0.00 -2.67 -0.30 0.00 0.00 0.00 0.00 51.96 48.99 1x0n s ALA 91 Cb 0.00 -1.97 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 1x0n s ALA 91 CO 0.00 -1.87 1.51 -1.25 0.00 0.00 0.00 175.76 174.15 1x0n s PRO 92 N 0.50 4.21 0.00 0.00 0.04 -1.26 -2.60 135.00 135.89 1x0n s PRO 92 Ca 0.14 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.19 1x0n s PRO 92 Cb -0.22 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.46 1x0n s PRO 92 CO -0.06 -0.77 0.00 0.41 0.04 0.00 0.00 177.00 176.62 1x0n n GLY 93 N 3.91 1.69 3.72 0.56 0.00 -1.26 -5.07 105.19 108.75 1x0n n GLY 93 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.70 7.01 -0.06 1.61 1.11 -1.07 -5.03 116.67 118.54 1x0n s ASP 94 Ca 0.00 2.17 0.04 0.00 0.18 0.00 0.00 52.55 54.94 1x0n s ASP 94 Cb 0.00 -2.59 -0.00 0.00 1.07 0.00 0.00 42.92 41.40 1x0n s ASP 94 CO 0.00 -0.49 -0.19 -0.36 1.18 0.00 0.00 175.17 175.31 1x0n s PHE 95 N 0.70 2.00 -0.05 4.23 0.08 -1.26 -3.68 117.98 120.00 1x0n s PHE 95 Ca 0.58 -0.68 -0.02 0.00 0.12 0.00 0.00 56.93 56.94 1x0n s PHE 95 Cb -0.32 -1.35 0.03 0.00 -0.57 0.00 0.00 43.02 40.80 1x0n s PHE 95 CO 0.32 -0.26 0.04 -1.54 -0.10 0.00 0.00 175.22 173.68 1x0n s SER 96 N 0.21 1.20 -0.02 1.36 1.04 -0.91 -2.77 113.70 113.80 1x0n s SER 96 Ca -0.10 0.03 -0.19 0.00 0.48 0.00 0.00 55.95 56.17 1x0n s SER 96 Cb -0.14 -0.23 -0.05 0.00 0.10 0.00 0.00 66.02 65.70 1x0n s SER 96 CO 0.04 -0.22 0.55 -0.22 0.98 0.00 0.00 173.24 174.37 1x0n s LEU 97 N 2.02 4.40 -0.24 2.42 1.98 -0.97 -0.98 118.68 127.31 1x0n s LEU 97 Ca 0.04 1.07 0.02 0.00 -2.89 0.00 0.00 54.13 52.37 1x0n s LEU 97 Cb -0.12 -2.83 0.05 0.00 0.66 0.00 0.00 46.19 43.94 1x0n s LEU 97 CO -0.04 0.12 -0.13 -0.55 -1.89 0.00 0.00 176.35 173.86 1x0n s SER 98 N -0.19 4.12 -0.06 3.68 0.15 0.35 -0.50 113.70 121.24 1x0n s SER 98 Ca 0.29 -1.19 0.02 0.00 0.70 0.00 0.00 55.95 55.77 1x0n s SER 98 Cb -0.17 -1.54 -0.03 0.00 -1.71 0.00 0.00 66.02 62.57 1x0n s SER 98 CO 0.15 -0.14 -0.11 -0.69 1.20 0.00 0.00 173.24 173.66 1x0n s VAL 99 N 1.16 3.36 0.03 4.45 1.01 -0.04 -1.10 120.40 129.27 1x0n s VAL 99 Ca -0.05 -0.61 -0.24 0.00 0.00 0.00 0.00 61.98 61.09 1x0n s VAL 99 Cb -0.18 -2.35 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 1x0n s VAL 99 CO -0.07 0.59 0.71 -0.75 0.00 0.00 0.00 175.10 175.58 1x0n s LYS 100 N -0.70 4.44 -0.34 2.72 2.20 -0.95 -0.30 119.74 126.81 1x0n s LYS 100 Ca 0.11 0.97 -0.01 0.00 -0.36 0.00 0.00 55.97 56.67 1x0n s LYS 100 Cb -0.11 -3.35 0.13 0.00 -1.51 0.00 0.00 37.83 32.99 1x0n s LYS 100 CO 0.01 0.31 0.19 -0.06 -0.36 0.00 0.00 175.35 175.45 1x0n s PHE 101 N -0.12 0.73 0.00 4.03 0.08 -0.77 -3.89 117.98 118.05 1x0n s PHE 101 Ca 0.36 -1.53 0.00 0.00 0.12 0.00 0.00 56.93 55.88 1x0n s PHE 101 Cb -0.20 -0.98 0.00 0.00 -0.57 0.00 0.00 43.02 41.27 1x0n s PHE 101 CO 0.21 -0.83 0.00 0.41 -0.10 0.00 0.00 175.22 174.91 1x0n n GLY 102 N 4.26 1.91 1.06 4.36 0.00 -1.26 -2.38 105.19 113.14 1x0n n GLY 102 Ca 0.08 -0.41 0.05 0.00 0.00 0.00 0.00 46.02 45.75 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 5.95 3.06 -3.68 1.61 2.85 -1.26 -4.78 115.26 119.00 1x0n n ASN 103 Ca 0.00 -2.28 -0.15 0.00 -0.11 0.00 0.00 54.58 52.04 1x0n n ASN 103 Cb 0.00 -0.45 -0.15 0.00 1.24 0.00 0.00 39.78 40.42 1x0n n ASN 103 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 1x0n s ASP 104 N -0.72 0.45 -0.34 1.20 1.01 -1.00 -5.12 116.67 112.14 1x0n s ASP 104 Ca 0.30 0.40 -0.22 0.00 0.71 0.00 0.00 52.55 53.74 1x0n s ASP 104 Cb 0.20 0.36 0.00 0.00 1.01 0.00 0.00 42.92 44.49 1x0n s ASP 104 CO 0.14 -0.22 0.72 -0.69 0.21 0.00 0.00 175.17 175.33 1x0n s VAL 105 N 2.05 4.82 0.65 -1.27 1.01 -1.26 -1.84 120.40 124.55 1x0n s VAL 105 Ca -0.00 0.84 -0.00 0.00 0.00 0.00 0.00 61.98 62.81 1x0n s VAL 105 Cb -0.12 -4.13 0.08 0.00 0.00 0.00 0.00 36.38 32.21 1x0n s VAL 105 CO -0.07 -0.33 0.90 -1.10 0.00 0.00 0.00 175.10 174.51 1x0n s GLN 106 N 2.90 2.09 0.18 2.72 -1.52 0.59 -4.92 119.66 121.70 1x0n s GLN 106 Ca 0.29 -0.90 -0.07 0.00 -1.95 0.00 0.00 55.36 52.73 1x0n s GLN 106 Cb -0.14 -2.38 -0.02 0.00 -0.22 0.00 0.00 33.01 30.25 1x0n s GLN 106 CO 0.15 -1.12 0.25 -1.01 -0.25 0.00 0.00 175.29 173.32 1x0n s HIS 107 N -2.99 0.61 -0.03 0.91 3.76 -1.26 -0.86 115.29 115.43 1x0n s HIS 107 Ca 0.62 -0.95 -0.01 0.00 -0.15 0.00 0.00 55.06 54.58 1x0n s HIS 107 Cb -0.08 -0.18 0.03 0.00 1.11 0.00 0.00 32.58 33.46 1x0n s HIS 107 CO 0.42 -0.72 0.03 -0.06 -0.85 0.00 0.00 174.74 173.56 1x0n s PHE 108 N -4.03 0.15 -0.09 1.40 0.40 0.34 -4.95 117.98 111.22 1x0n s PHE 108 Ca 0.23 0.12 -0.30 0.00 -0.60 0.00 0.00 56.93 56.38 1x0n s PHE 108 Cb 0.04 -0.39 -0.03 0.00 0.51 0.00 0.00 43.02 43.15 1x0n s PHE 108 CO 0.04 -0.14 1.23 0.15 0.70 0.00 0.00 175.22 177.19 1x0n s LYS 109 N 1.44 4.31 -0.07 0.44 1.02 -1.26 -2.29 119.74 123.33 1x0n s LYS 109 Ca -0.04 1.68 -0.22 0.00 0.02 0.00 0.00 55.97 57.41 1x0n s LYS 109 Cb -0.13 -3.62 -0.04 0.00 -0.52 0.00 0.00 37.83 33.52 1x0n s LYS 109 CO -0.03 -0.53 0.62 0.08 -0.92 0.00 0.00 175.35 174.58 1x0n s VAL 110 N 2.60 5.07 0.03 3.17 1.01 -1.11 -4.88 120.40 126.29 1x0n s VAL 110 Ca 0.56 1.28 -0.01 0.00 0.00 0.00 0.00 61.98 63.80 1x0n s VAL 110 Cb -0.24 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 1x0n s VAL 110 CO 0.20 0.29 0.20 -0.76 0.00 0.00 0.00 175.10 175.03 1x0n s LEU 111 N 0.64 4.35 -0.06 3.92 2.01 -0.84 -4.69 118.68 124.01 1x0n s LEU 111 Ca 0.33 0.30 -0.01 0.00 0.01 0.00 0.00 54.13 54.76 1x0n s LEU 111 Cb -0.17 -2.79 0.03 0.00 0.01 0.00 0.00 46.19 43.26 1x0n s LEU 111 CO 0.16 0.21 0.00 -0.13 1.01 0.00 0.00 176.35 177.60 1x0n s ARG 112 N -2.25 0.53 0.30 1.70 0.52 -1.26 -1.94 118.95 116.55 1x0n s ARG 112 Ca 0.31 0.11 0.00 0.00 -0.52 0.00 0.00 55.73 55.64 1x0n s ARG 112 Cb -0.13 -0.87 -0.02 0.00 0.52 0.00 0.00 34.95 34.46 1x0n s ARG 112 CO 0.24 -0.27 0.33 -0.51 0.02 0.00 0.00 175.30 175.11 1x0n s ASP 113 N 1.81 0.92 0.00 0.23 1.11 -1.05 -4.94 116.67 114.75 1x0n s ASP 113 Ca 0.02 -1.51 0.00 0.00 0.18 0.00 0.00 52.55 51.25 1x0n s ASP 113 Cb -0.13 0.56 0.00 0.00 1.07 0.00 0.00 42.92 44.42 1x0n s ASP 113 CO -0.04 -1.10 0.00 0.61 1.18 0.00 0.00 175.17 175.81 1x0n n GLY 114 N -0.50 1.39 0.14 0.21 0.00 -1.26 -3.24 105.19 101.93 1x0n n GLY 114 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1x0n n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x0n n ALA 115 N 0.00 0.00 -2.04 4.61 0.00 -1.26 -4.99 120.51 116.83 1x0n n ALA 115 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1x0n n ALA 115 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1x0n n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x0n n GLY 116 N -1.04 0.79 3.89 0.00 0.00 -1.25 -5.12 105.19 102.47 1x0n n GLY 116 Ca 0.00 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 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 3.55 0.27 1.61 1.02 -1.20 -4.65 119.74 120.34 1x0n s LYS 117 Ca 0.03 -0.17 0.08 0.00 0.02 0.00 0.00 55.97 55.93 1x0n s LYS 117 Cb 0.03 -3.04 -0.04 0.00 -0.52 0.00 0.00 37.83 34.26 1x0n s LYS 117 CO -0.01 0.62 0.13 0.71 -0.92 0.00 0.00 175.35 175.87 1x0n s TYR 118 N -1.39 2.90 0.01 3.18 2.02 -0.51 -2.53 117.35 121.03 1x0n s TYR 118 Ca 0.31 -0.20 -0.29 0.00 -0.37 0.00 0.00 57.07 56.52 1x0n s TYR 118 Cb -0.13 -1.38 0.10 0.00 -0.40 0.00 0.00 41.96 40.15 1x0n s TYR 118 CO 0.20 0.51 1.09 -0.59 -1.57 0.00 0.00 175.55 175.18 1x0n s PHE 119 N -2.25 -0.15 0.00 2.71 -0.71 -0.82 -1.14 117.98 115.63 1x0n s PHE 119 Ca 0.34 -0.02 0.00 0.00 -1.04 0.00 0.00 56.93 56.21 1x0n s PHE 119 Cb -0.07 0.57 0.00 0.00 -1.21 0.00 0.00 43.02 42.31 1x0n s PHE 119 CO 0.23 -0.50 0.00 1.28 -1.34 0.00 0.00 175.22 174.89 1x0n n LEU 120 N -0.36 0.00 0.00 -1.99 4.32 -1.12 -1.98 117.00 115.87 1x0n n LEU 120 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.93 1x0n n LEU 120 Cb 0.61 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.41 1x0n n LEU 120 CO 0.12 0.00 0.01 0.79 -1.22 0.00 0.00 177.39 177.08 1x0n n TRP 121 N -0.51 0.00 -0.81 -1.77 7.02 -1.26 -4.85 117.44 115.26 1x0n n TRP 121 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1x0n n TRP 121 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 1x0n n TRP 121 CO 0.00 0.00 0.00 1.55 -2.02 0.00 0.00 177.69 177.22 1x0n n VAL 122 N -0.42 0.29 -4.59 -0.99 3.14 -1.26 -5.07 118.33 109.43 1x0n n VAL 122 Ca 0.00 -0.30 -0.31 0.00 -2.96 0.00 0.00 64.34 60.77 1x0n n VAL 122 Cb 0.00 0.82 -0.12 0.00 -1.06 0.00 0.00 33.84 33.48 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 -0.31 2.95 0.17 1.55 0.11 -1.26 -5.13 120.40 118.47 1x0n s VAL 123 Ca 0.01 -1.15 -0.04 0.00 -2.93 0.00 0.00 61.98 57.87 1x0n s VAL 123 Cb 0.01 -2.26 -0.03 0.00 -1.53 0.00 0.00 36.38 32.57 1x0n s VAL 123 CO 0.00 0.32 0.17 -1.59 -3.33 0.00 0.00 175.10 170.67 1x0n s LYS 124 N -1.51 1.11 0.37 1.54 -2.85 -1.26 -2.80 119.74 114.34 1x0n s LYS 124 Ca 0.16 -1.41 -0.14 0.00 -1.00 0.00 0.00 55.97 53.58 1x0n s LYS 124 Cb -0.11 0.30 0.05 0.00 -2.06 0.00 0.00 37.83 36.01 1x0n s LYS 124 CO 0.06 -0.37 0.74 -0.06 0.10 0.00 0.00 175.35 175.82 1x0n s PHE 125 N -4.06 0.25 -0.16 1.78 0.08 -0.29 -4.97 117.98 110.61 1x0n s PHE 125 Ca 0.26 -0.85 -0.20 0.00 0.12 0.00 0.00 56.93 56.26 1x0n s PHE 125 Cb 0.06 0.69 -0.23 0.00 -0.57 0.00 0.00 43.02 42.97 1x0n s PHE 125 CO 0.05 -1.49 0.40 -2.95 -0.10 0.00 0.00 175.22 171.13 1x0n h ASN 126 N 2.02 0.13 -2.10 1.36 -1.07 -1.87 -1.35 115.58 112.70 1x0n h ASN 126 Ca -0.31 -0.71 -0.54 0.00 0.07 0.00 0.00 56.30 54.81 1x0n h ASN 126 Cb 1.25 -0.04 -0.08 0.00 -2.07 0.00 0.00 38.32 37.38 1x0n h ASN 126 CO 0.39 1.48 -0.59 -0.44 0.07 0.00 0.00 177.43 178.34 1x0n s SER 127 N -6.82 4.78 0.26 6.14 0.01 -1.26 -4.37 113.70 112.44 1x0n s SER 127 Ca -0.24 -0.61 0.01 0.00 1.31 0.00 0.00 55.95 56.42 1x0n s SER 127 Cb 0.04 -0.92 0.35 0.00 0.21 0.00 0.00 66.02 65.71 1x0n s SER 127 CO 0.67 -0.10 1.69 -0.07 0.41 0.00 0.00 173.24 175.84 1x0n h LEU 128 N 1.70 0.55 -0.86 2.44 3.38 -1.93 -3.00 115.31 117.60 1x0n h LEU 128 Ca -0.45 -0.19 0.17 0.00 0.09 0.00 0.00 57.88 57.50 1x0n h LEU 128 Cb 1.25 -0.15 -0.10 0.00 0.09 0.00 0.00 40.66 41.74 1x0n h LEU 128 CO 0.61 0.79 0.41 0.78 0.09 0.00 0.00 178.44 181.13 1x0n h ASN 129 N 0.48 0.45 -0.19 -0.43 2.35 -2.00 0.46 115.58 116.70 1x0n h ASN 129 Ca 0.07 0.11 0.05 0.00 -0.55 0.00 0.00 56.30 55.98 1x0n h ASN 129 Cb 0.70 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.11 1x0n h ASN 129 CO 0.05 0.14 0.25 -0.33 -1.65 0.00 0.00 177.43 175.90 1x0n h GLU 130 N 0.54 0.00 0.18 0.81 4.39 -1.95 -0.87 114.58 117.68 1x0n h GLU 130 Ca 0.49 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.90 1x0n h GLU 130 Cb 0.78 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.45 1x0n h GLU 130 CO -0.42 0.00 -1.39 -0.07 -1.16 0.00 0.00 179.01 175.97 1x0n h LEU 131 N 0.00 0.59 -0.80 1.33 4.07 -0.23 -2.54 115.31 117.72 1x0n h LEU 131 Ca 0.09 -0.92 0.03 0.00 0.08 0.00 0.00 57.88 57.16 1x0n h LEU 131 Cb 0.59 -0.19 -0.05 0.00 1.08 0.00 0.00 40.66 42.10 1x0n h LEU 131 CO -0.00 1.64 0.52 0.58 -1.08 0.00 0.00 178.44 180.10 1x0n h VAL 132 N -0.10 1.14 0.21 1.22 2.07 -0.75 -2.00 116.25 118.04 1x0n h VAL 132 Ca -0.27 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 1x0n h VAL 132 Cb 1.93 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1x0n h VAL 132 CO 0.17 0.18 -0.10 -0.78 0.02 0.00 0.00 177.57 177.06 1x0n h ASP 133 N 1.01 -0.24 -1.26 0.57 1.82 -1.50 -1.74 116.42 115.07 1x0n h ASP 133 Ca 0.32 -0.18 0.41 0.00 -0.39 0.00 0.00 57.03 57.18 1x0n h ASP 133 Cb -0.01 0.06 -0.13 0.00 0.68 0.00 0.00 39.33 39.94 1x0n h ASP 133 CO -0.11 0.28 0.81 0.22 -1.61 0.00 0.00 179.24 178.84 1x0n h TYR 134 N -1.00 0.56 0.00 0.28 5.03 -1.43 1.36 116.97 121.77 1x0n h TYR 134 Ca -0.03 0.02 -0.24 0.00 2.58 0.00 0.00 58.73 61.07 1x0n h TYR 134 Cb 0.41 -0.14 -0.04 0.00 1.55 0.00 0.00 36.73 38.51 1x0n h TYR 134 CO 0.05 -0.18 -1.24 0.45 -1.32 0.00 0.00 178.16 175.92 1x0n h HIS 135 N 0.13 0.00 -0.08 -3.82 3.86 -1.41 -1.80 115.15 112.02 1x0n h HIS 135 Ca 0.79 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 60.02 1x0n h HIS 135 Cb 2.40 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.87 1x0n h HIS 135 CO -0.01 0.99 0.07 -0.09 0.86 0.00 0.00 177.93 179.75 1x0n h ARG 136 N 0.00 0.00 0.00 2.45 2.43 0.28 -2.64 114.38 116.89 1x0n h ARG 136 Ca -0.10 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 58.80 1x0n h ARG 136 Cb 1.85 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 31.35 1x0n h ARG 136 CO 0.11 0.00 -2.08 0.43 -1.51 0.00 0.00 179.97 176.92 1x0n n SER 137 N -4.35 1.01 -4.61 -3.80 7.64 -0.87 -4.06 113.62 104.59 1x0n n SER 137 Ca -0.01 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.53 1x0n n SER 137 Cb 0.17 0.98 -0.11 0.00 -1.01 0.00 0.00 64.21 64.25 1x0n n SER 137 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1x0n s THR 138 N -2.46 4.14 0.93 0.44 2.01 -0.68 -5.01 115.64 115.00 1x0n s THR 138 Ca -0.08 -0.30 -0.13 0.00 0.31 0.00 0.00 61.69 61.50 1x0n s THR 138 Cb 0.05 -2.76 0.03 0.00 0.01 0.00 0.00 72.50 69.83 1x0n s THR 138 CO 0.67 0.56 0.45 -1.54 -0.69 0.00 0.00 174.62 174.07 1x0n n SER 139 N 2.69 -1.90 0.00 3.53 3.41 -1.26 -4.33 113.62 115.76 1x0n n SER 139 Ca -0.18 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 1x0n n SER 139 Cb 0.53 -1.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 1x0n n SER 139 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1x0n n VAL 140 N -3.51 0.00 -3.98 -3.33 0.24 -1.24 -4.94 118.33 101.58 1x0n n VAL 140 Ca 0.07 -0.30 -0.36 0.00 -2.04 0.00 0.00 64.34 61.71 1x0n n VAL 140 Cb 0.53 0.97 -0.06 0.00 -1.47 0.00 0.00 33.84 33.81 1x0n n VAL 140 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1x0n s SER 141 N -0.65 6.14 -0.22 -1.34 0.01 -1.26 -4.99 113.70 111.39 1x0n s SER 141 Ca 0.00 0.38 0.15 0.00 1.31 0.00 0.00 55.95 57.78 1x0n s SER 141 Cb 0.00 -1.93 0.80 0.00 0.21 0.00 0.00 66.02 65.10 1x0n s SER 141 CO 0.00 0.38 1.72 0.54 0.41 0.00 0.00 173.24 176.29 1x0n n ARG 142 N 1.81 4.68 0.00 12.44 1.74 -1.26 -4.36 116.66 131.72 1x0n n ARG 142 Ca -0.18 -3.13 0.00 0.00 -0.77 0.00 0.00 57.85 53.77 1x0n n ARG 142 Cb 0.54 -2.21 0.00 0.00 -1.02 0.00 0.00 32.46 29.77 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 0.59 2.35 -3.91 0.55 4.05 -1.26 -5.11 115.26 112.52 1x0n n ASN 143 Ca 0.27 0.00 -0.25 0.00 0.45 0.00 0.00 54.58 55.05 1x0n n ASN 143 Cb 1.16 0.00 -0.06 0.00 1.23 0.00 0.00 39.78 42.10 1x0n n ASN 143 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1x0n n GLN 144 N -2.48 0.71 -3.60 1.20 6.02 -1.26 -5.11 117.38 112.85 1x0n n GLN 144 Ca 0.00 -3.20 -0.40 0.00 -0.01 0.00 0.00 57.00 53.39 1x0n n GLN 144 Cb 0.41 1.43 -0.08 0.00 1.02 0.00 0.00 30.24 33.02 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 -3.49 2.69 0.10 -1.09 -1.52 -1.26 -4.58 119.66 110.50 1x0n s GLN 145 Ca 0.12 -2.24 0.03 0.00 -1.95 0.00 0.00 55.36 51.32 1x0n s GLN 145 Cb 0.01 -3.91 -0.04 0.00 -0.22 0.00 0.00 33.01 28.85 1x0n s GLN 145 CO 0.09 -1.19 -0.09 0.42 -0.25 0.00 0.00 175.29 174.26 1x0n s ILE 146 N 0.48 0.91 0.29 1.08 1.01 -1.26 -5.12 121.20 118.59 1x0n s ILE 146 Ca 0.13 -1.70 0.10 0.00 0.00 0.00 0.00 60.65 59.18 1x0n s ILE 146 Cb -0.20 -1.42 -0.05 0.00 0.01 0.00 0.00 42.46 40.80 1x0n s ILE 146 CO -0.04 -0.61 -0.03 -0.36 0.00 0.00 0.00 174.94 173.89 1x0n s PHE 147 N -2.66 2.57 -0.48 3.97 0.08 -1.26 -3.59 117.98 116.61 1x0n s PHE 147 Ca 0.07 -0.31 -0.27 0.00 0.12 0.00 0.00 56.93 56.54 1x0n s PHE 147 Cb -0.01 -1.25 0.03 0.00 -0.57 0.00 0.00 43.02 41.22 1x0n s PHE 147 CO -0.01 0.59 1.04 -1.17 -0.10 0.00 0.00 175.22 175.57 1x0n s LEU 148 N -3.66 3.81 -0.12 -0.37 2.96 -1.08 -4.43 118.68 115.79 1x0n s LEU 148 Ca 0.32 0.23 -0.17 0.00 -0.22 0.00 0.00 54.13 54.29 1x0n s LEU 148 Cb -0.04 -3.32 -0.04 0.00 0.50 0.00 0.00 46.19 43.29 1x0n s LEU 148 CO 0.19 -1.18 0.42 -0.13 -1.32 0.00 0.00 176.35 174.33 1x0n s ARG 149 N 4.16 4.29 -0.20 1.98 1.81 0.52 -4.18 118.95 127.32 1x0n s ARG 149 Ca 0.42 0.35 -0.28 0.00 -1.72 0.00 0.00 55.73 54.49 1x0n s ARG 149 Cb -0.09 -3.42 -0.05 0.00 -0.45 0.00 0.00 34.95 30.94 1x0n s ARG 149 CO 0.28 0.21 2.16 0.16 -0.68 0.00 0.00 175.30 177.44 1x0n s ASP 150 N 0.47 5.58 0.66 0.23 -4.77 -1.26 -2.62 116.67 114.96 1x0n s ASP 150 Ca 0.23 1.91 -0.17 0.00 -3.30 0.00 0.00 52.55 51.22 1x0n s ASP 150 Cb -0.15 -2.51 -0.01 0.00 -1.09 0.00 0.00 42.92 39.16 1x0n s ASP 150 CO 0.09 -1.86 1.13 0.00 0.70 0.00 0.00 175.17 175.23 1x0n n ILE 151 N 7.52 4.11 -3.30 2.11 3.06 -1.26 -4.91 119.36 126.69 1x0n n ILE 151 Ca 0.28 -0.46 -0.46 0.00 -2.50 0.00 0.00 62.75 59.61 1x0n n ILE 151 Cb 0.45 -1.30 -0.04 0.00 0.54 0.00 0.00 39.64 39.29 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 -3.22 3.28 1.19 9.51 2.02 -1.26 -4.34 118.70 125.87 1x0n s GLU 152 Ca 0.79 -2.02 -0.15 0.00 0.02 0.00 0.00 54.97 53.61 1x0n s GLU 152 Cb -0.38 -4.37 0.25 0.00 0.10 0.00 0.00 34.13 29.73 1x0n s GLU 152 CO 0.44 -1.34 0.69 0.94 0.02 0.00 0.00 175.26 176.01 1x0n n GLN 153 N 4.79 -2.45 -1.58 1.61 7.27 -1.26 -4.79 117.38 120.97 1x0n n GLN 153 Ca -0.01 -0.69 -0.56 0.00 0.07 0.00 0.00 57.00 55.81 1x0n n GLN 153 Cb 0.43 -2.00 -0.07 0.00 2.41 0.00 0.00 30.24 31.02 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 -4.91 0.03 -2.00 1.69 3.14 -1.26 -4.90 118.33 110.12 1x0n n VAL 154 Ca 0.02 -0.01 -0.34 0.00 -2.96 0.00 0.00 64.34 61.05 1x0n n VAL 154 Cb 0.57 -0.55 0.02 0.00 -1.06 0.00 0.00 33.84 32.82 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 0.77 3.07 -0.50 1.45 0.04 -1.26 -5.03 135.00 133.54 1x0n s PRO 155 Ca 0.89 1.50 0.07 0.00 0.04 0.00 0.00 61.00 63.49 1x0n s PRO 155 Cb -1.11 -1.98 0.20 0.00 0.04 0.00 0.00 34.50 31.65 1x0n s PRO 155 CO 0.54 -1.05 0.71 0.94 0.04 0.00 0.00 177.00 178.18 1x0n n GLN 156 N -1.87 0.55 -3.62 4.56 7.27 -1.26 -5.14 117.38 117.87 1x0n n GLN 156 Ca 0.11 -2.15 -0.11 0.00 0.07 0.00 0.00 57.00 54.92 1x0n n GLN 156 Cb 0.51 -1.48 -0.07 0.00 2.41 0.00 0.00 30.24 31.61 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 0.68 0.64 0.71 3.69 -0.21 -1.26 -5.17 119.66 118.74 1x0n s GLN 157 Ca 0.31 0.57 -0.13 0.00 0.02 0.00 0.00 55.36 56.13 1x0n s GLN 157 Cb 0.05 0.31 0.03 0.00 1.00 0.00 0.00 33.01 34.40 1x0n s GLN 157 CO -0.11 -0.11 1.10 -1.25 -2.12 0.00 0.00 175.29 172.80 1x0n s PRO 158 N -0.10 2.55 0.00 2.91 0.04 -1.26 -5.33 135.00 133.81 1x0n s PRO 158 Ca 0.00 1.29 0.20 0.00 0.04 0.00 0.00 61.00 62.54 1x0n s PRO 158 Cb -0.04 -1.93 0.16 0.00 0.04 0.00 0.00 34.50 32.73 1x0n s PRO 158 CO -0.02 -1.43 1.13 2.41 0.04 0.00 0.00 177.00 179.13