#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 3.67 -0.00 -2.67 5.36 -1.26 -1.96 117.98 121.12 1x0n s PHE 61 Ca 0.00 1.47 0.02 0.00 -0.96 0.00 0.00 56.93 57.46 1x0n s PHE 61 Cb 0.00 -2.68 -0.01 0.00 -0.34 0.00 0.00 43.02 39.99 1x0n s PHE 61 CO 0.00 0.32 -0.06 -0.06 -1.46 0.00 0.00 175.22 173.96 1x0n s PHE 62 N -1.52 0.52 0.00 10.12 0.40 0.21 -4.94 117.98 122.77 1x0n s PHE 62 Ca 0.44 -0.12 0.00 0.00 -0.60 0.00 0.00 56.93 56.65 1x0n s PHE 62 Cb -0.17 -0.33 0.00 0.00 0.51 0.00 0.00 43.02 43.03 1x0n s PHE 62 CO 0.22 -0.01 0.00 0.41 0.70 0.00 0.00 175.22 176.54 1x0n n GLY 63 N 2.87 -0.39 3.56 4.36 0.00 -1.26 -2.41 105.19 111.91 1x0n n GLY 63 Ca -0.13 -1.20 -0.21 0.00 0.00 0.00 0.00 46.02 44.47 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 2.05 -0.05 1.61 3.01 -1.26 -3.85 119.74 121.26 1x0n s LYS 64 Ca 0.00 0.21 0.03 0.00 -1.01 0.00 0.00 55.97 55.20 1x0n s LYS 64 Cb 0.00 -4.88 0.01 0.00 -1.01 0.00 0.00 37.83 31.95 1x0n s LYS 64 CO 0.00 -3.90 -0.12 0.96 0.51 0.00 0.00 175.35 172.80 1x0n s ILE 65 N 12.55 1.07 0.61 2.17 -4.36 -1.26 -5.11 121.20 126.87 1x0n s ILE 65 Ca 0.83 -0.49 -0.17 0.00 -0.26 0.00 0.00 60.65 60.56 1x0n s ILE 65 Cb -0.10 -0.96 -0.03 0.00 1.25 0.00 0.00 42.46 42.62 1x0n s ILE 65 CO 0.05 0.33 1.12 -2.16 0.24 0.00 0.00 174.94 174.52 1x0n s PRO 66 N 0.37 3.05 0.31 0.37 0.04 -1.26 -4.85 135.00 133.03 1x0n s PRO 66 Ca -0.08 1.49 0.06 0.00 0.04 0.00 0.00 61.00 62.52 1x0n s PRO 66 Cb -0.12 -1.98 0.84 0.00 0.04 0.00 0.00 34.50 33.28 1x0n s PRO 66 CO 0.02 -1.07 1.66 -0.09 0.04 0.00 0.00 177.00 177.56 1x0n h ARG 67 N 0.57 0.25 -0.04 4.56 2.43 -2.00 0.80 114.38 120.95 1x0n h ARG 67 Ca -0.48 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 58.70 1x0n h ARG 67 Cb 1.25 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.71 1x0n h ARG 67 CO 0.55 0.17 -0.13 0.00 -1.51 0.00 0.00 179.97 179.05 1x0n h ALA 68 N 1.80 -0.12 -0.56 2.80 0.00 -1.99 -2.10 119.26 119.09 1x0n h ALA 68 Ca 0.62 0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.66 1x0n h ALA 68 Cb 1.30 0.24 -0.10 0.00 0.00 0.00 0.00 17.79 19.23 1x0n h ALA 68 CO -0.63 -0.61 -0.07 -0.22 0.00 0.00 0.00 179.25 177.72 1x0n h LYS 69 N -0.20 0.05 -0.17 0.00 1.63 -1.20 -1.16 116.57 115.52 1x0n h LYS 69 Ca 0.06 -0.00 0.04 0.00 -0.85 0.00 0.00 60.65 59.89 1x0n h LYS 69 Cb 0.28 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.86 1x0n h LYS 69 CO -0.16 0.04 -0.08 0.00 -3.45 0.00 0.00 179.45 175.80 1x0n h ALA 70 N 1.54 0.07 -0.16 5.00 0.00 -1.12 0.44 119.26 125.03 1x0n h ALA 70 Ca 0.28 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.31 1x0n h ALA 70 Cb 0.44 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1x0n h ALA 70 CO -0.53 -0.51 0.16 0.93 0.00 0.00 0.00 179.25 179.30 1x0n h GLU 71 N -0.06 0.00 0.14 0.00 5.08 -0.59 -1.74 114.58 117.42 1x0n h GLU 71 Ca 0.09 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.26 1x0n h GLU 71 Cb 0.19 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.46 1x0n h GLU 71 CO -0.21 0.00 -0.88 0.93 -1.00 0.00 0.00 179.01 177.85 1x0n h GLU 72 N 0.00 0.30 -0.27 2.33 4.39 0.00 -1.41 114.58 119.92 1x0n h GLU 72 Ca 0.08 -0.51 0.04 0.00 0.34 0.00 0.00 59.36 59.31 1x0n h GLU 72 Cb 0.40 0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 1x0n h GLU 72 CO -0.00 1.24 0.18 0.52 -1.16 0.00 0.00 179.01 179.80 1x0n h MET 73 N -0.36 0.18 0.07 2.33 2.86 -0.14 0.20 114.93 120.08 1x0n h MET 73 Ca -0.16 -0.01 -0.23 0.00 -2.06 0.00 0.00 59.70 57.24 1x0n h MET 73 Cb 1.66 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 33.27 1x0n h MET 73 CO 0.14 0.12 -1.21 -0.07 1.06 0.00 0.00 176.91 176.96 1x0n h LEU 74 N 0.19 0.24 -0.09 1.22 3.38 -1.47 -3.36 115.31 115.42 1x0n h LEU 74 Ca 0.12 -0.79 0.03 0.00 0.09 0.00 0.00 57.88 57.33 1x0n h LEU 74 Cb 0.23 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1x0n h LEU 74 CO -0.02 1.51 -0.09 0.28 0.09 0.00 0.00 178.44 180.22 1x0n h SER 75 N -0.56 -0.27 -1.18 -0.43 0.02 -0.97 -1.11 113.55 109.06 1x0n h SER 75 Ca -0.28 0.05 0.34 0.00 -0.84 0.00 0.00 61.79 61.07 1x0n h SER 75 Cb 1.56 0.13 -0.05 0.00 0.14 0.00 0.00 62.40 64.18 1x0n h SER 75 CO -0.02 -0.12 0.86 0.07 -1.14 0.00 0.00 176.83 176.48 1x0n h LYS 76 N -0.10 0.00 -7.09 3.45 2.10 -1.14 -3.41 116.57 110.38 1x0n h LYS 76 Ca 0.07 0.00 -0.40 0.00 -2.00 0.00 0.00 60.65 58.32 1x0n h LYS 76 Cb 0.20 0.00 0.21 0.00 -0.90 0.00 0.00 32.23 31.74 1x0n h LYS 76 CO -0.16 0.00 -0.07 -0.65 -2.00 0.00 0.00 179.45 176.57 1x0n s GLN 77 N -4.93 -2.36 0.00 0.07 -1.52 -0.42 -5.01 119.66 105.49 1x0n s GLN 77 Ca -0.05 0.28 0.00 0.00 -1.95 0.00 0.00 55.36 53.64 1x0n s GLN 77 Cb 0.23 -1.43 0.00 0.00 -0.22 0.00 0.00 33.01 31.58 1x0n s GLN 77 CO 0.80 -4.53 0.00 0.54 -0.25 0.00 0.00 175.29 171.84 1x0n n ARG 78 N -5.41 2.38 -0.08 2.91 5.12 -1.26 -5.07 116.66 115.25 1x0n n ARG 78 Ca 0.10 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.97 1x0n n ARG 78 Cb 0.59 -0.97 0.05 0.00 -1.16 0.00 0.00 32.46 30.97 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 -2.11 -2.55 -3.83 -1.55 8.25 -1.26 -5.03 115.22 107.14 1x0n n HIS 79 Ca 0.00 -0.16 -0.30 0.00 -0.26 0.00 0.00 57.72 57.01 1x0n n HIS 79 Cb 0.47 -0.22 -0.15 0.00 1.12 0.00 0.00 29.99 31.21 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 -2.15 3.84 0.00 0.41 -4.77 -1.26 -4.75 116.67 107.98 1x0n s ASP 80 Ca 0.12 -1.39 0.00 0.00 -3.30 0.00 0.00 52.55 47.98 1x0n s ASP 80 Cb -0.02 -1.00 0.00 0.00 -1.09 0.00 0.00 42.92 40.81 1x0n s ASP 80 CO 0.10 -0.33 0.00 0.61 0.70 0.00 0.00 175.17 176.25 1x0n n GLY 81 N 4.76 1.36 3.68 2.12 0.00 -1.25 -4.59 105.19 111.27 1x0n n GLY 81 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 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 1.89 -2.59 4.61 0.00 -1.26 -0.40 120.51 122.76 1x0n n ALA 82 Ca 0.00 0.27 -0.29 0.00 0.00 0.00 0.00 53.44 53.42 1x0n n ALA 82 Cb 0.00 -2.63 -0.09 0.00 0.00 0.00 0.00 19.45 16.72 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 3.54 2.74 -0.25 0.00 -0.12 -1.13 -1.70 117.98 121.06 1x0n s PHE 83 Ca 0.85 -0.16 -0.06 0.00 -0.05 0.00 0.00 56.93 57.51 1x0n s PHE 83 Cb -0.47 -1.39 0.12 0.00 -0.63 0.00 0.00 43.02 40.65 1x0n s PHE 83 CO 0.40 0.46 0.50 -1.17 -0.05 0.00 0.00 175.22 175.35 1x0n s LEU 84 N -2.46 -0.88 -0.21 -1.99 0.20 0.07 -4.19 118.68 109.22 1x0n s LEU 84 Ca 0.23 0.97 -0.19 0.00 0.69 0.00 0.00 54.13 55.83 1x0n s LEU 84 Cb -0.10 1.67 -0.03 0.00 -0.43 0.00 0.00 46.19 47.29 1x0n s LEU 84 CO 0.15 -0.25 0.56 -0.63 -0.29 0.00 0.00 176.35 175.89 1x0n s ILE 85 N 2.71 5.07 0.19 6.68 1.01 -0.83 -0.40 121.20 135.63 1x0n s ILE 85 Ca 0.04 1.03 0.07 0.00 0.00 0.00 0.00 60.65 61.78 1x0n s ILE 85 Cb -0.13 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 1x0n s ILE 85 CO -0.16 0.14 0.06 0.00 0.00 0.00 0.00 174.94 174.98 1x0n s ARG 86 N 1.83 2.59 -0.05 2.79 3.03 0.27 -0.62 118.95 128.80 1x0n s ARG 86 Ca 0.25 -1.06 0.06 0.00 2.03 0.00 0.00 55.73 57.01 1x0n s ARG 86 Cb -0.16 -2.44 -0.02 0.00 -1.03 0.00 0.00 34.95 31.30 1x0n s ARG 86 CO 0.10 0.45 -0.22 -2.00 -1.13 0.00 0.00 175.30 172.50 1x0n s GLU 87 N -3.15 2.42 1.28 3.89 2.12 -1.01 -2.18 118.70 122.07 1x0n s GLU 87 Ca 0.29 -0.85 -0.18 0.00 0.36 0.00 0.00 54.97 54.59 1x0n s GLU 87 Cb -0.09 -2.20 0.30 0.00 0.26 0.00 0.00 34.13 32.41 1x0n s GLU 87 CO 0.21 0.50 0.78 0.43 -0.54 0.00 0.00 175.26 176.64 1x0n n SER 88 N 2.62 -2.91 -0.10 -1.70 7.64 -1.21 -4.26 113.62 113.71 1x0n n SER 88 Ca -0.17 -0.47 -0.12 0.00 1.01 0.00 0.00 58.87 59.12 1x0n n SER 88 Cb 0.52 -1.08 -0.11 0.00 -1.01 0.00 0.00 64.21 62.53 1x0n n SER 88 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1x0n n GLU 89 N -4.72 0.83 -0.00 1.43 0.28 -1.26 -4.59 120.64 112.61 1x0n n GLU 89 Ca 0.06 0.07 0.03 0.00 -0.16 0.00 0.00 57.16 57.17 1x0n n GLU 89 Cb 0.56 -1.42 0.03 0.00 1.43 0.00 0.00 31.44 32.04 1x0n n GLU 89 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1x0n n SER 90 N -2.92 1.58 -4.07 -1.84 7.64 -1.26 -4.86 113.62 107.89 1x0n n SER 90 Ca -0.33 -1.29 -0.35 0.00 1.01 0.00 0.00 58.87 57.90 1x0n n SER 90 Cb 0.95 -0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 64.04 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 -0.58 3.54 -0.22 -0.43 0.00 -1.26 -5.06 121.76 117.74 1x0n s ALA 91 Ca 0.08 -3.26 -0.29 0.00 0.00 0.00 0.00 51.96 48.49 1x0n s ALA 91 Cb 0.06 -2.58 -0.03 0.00 0.00 0.00 0.00 23.12 20.57 1x0n s ALA 91 CO 0.09 -2.09 1.61 -1.25 0.00 0.00 0.00 175.76 174.12 1x0n s PRO 92 N -0.10 3.79 0.00 0.00 0.04 -1.26 -2.40 135.00 135.06 1x0n s PRO 92 Ca 0.17 1.65 0.00 0.00 0.04 0.00 0.00 61.00 62.86 1x0n s PRO 92 Cb -0.21 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.29 1x0n s PRO 92 CO -0.03 -1.30 0.00 0.41 0.04 0.00 0.00 177.00 176.12 1x0n n GLY 93 N 4.67 0.64 3.63 0.56 0.00 -1.26 -5.07 105.19 108.36 1x0n n GLY 93 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.92 6.81 -0.01 1.61 -1.08 -1.01 -5.00 116.67 116.07 1x0n s ASP 94 Ca 0.00 0.93 0.07 0.00 -0.52 0.00 0.00 52.55 53.03 1x0n s ASP 94 Cb 0.00 -2.45 -0.02 0.00 -1.46 0.00 0.00 42.92 38.98 1x0n s ASP 94 CO 0.00 -0.62 -0.22 -0.36 0.52 0.00 0.00 175.17 174.48 1x0n s PHE 95 N 3.05 2.44 -0.06 -5.34 0.08 -1.26 -3.29 117.98 113.59 1x0n s PHE 95 Ca 0.36 -0.35 -0.02 0.00 0.12 0.00 0.00 56.93 57.04 1x0n s PHE 95 Cb -0.14 -1.51 0.04 0.00 -0.57 0.00 0.00 43.02 40.83 1x0n s PHE 95 CO 0.10 0.07 0.12 -1.12 -0.10 0.00 0.00 175.22 174.29 1x0n s SER 96 N -0.81 0.43 -0.03 1.36 0.01 -0.93 -2.65 113.70 111.09 1x0n s SER 96 Ca 0.11 0.24 -0.17 0.00 1.31 0.00 0.00 55.95 57.43 1x0n s SER 96 Cb -0.10 0.12 -0.05 0.00 0.21 0.00 0.00 66.02 66.20 1x0n s SER 96 CO 0.00 -0.20 0.47 -0.22 0.41 0.00 0.00 173.24 173.71 1x0n s LEU 97 N 1.72 4.41 -0.24 2.44 1.98 -1.03 -0.57 118.68 127.39 1x0n s LEU 97 Ca -0.02 0.98 0.02 0.00 -2.89 0.00 0.00 54.13 52.22 1x0n s LEU 97 Cb -0.12 -2.70 0.06 0.00 0.66 0.00 0.00 46.19 44.08 1x0n s LEU 97 CO -0.05 0.19 -0.10 -0.55 -1.89 0.00 0.00 176.35 173.94 1x0n s SER 98 N -0.42 4.13 0.03 3.68 0.15 0.46 -0.36 113.70 121.37 1x0n s SER 98 Ca 0.26 -1.25 0.04 0.00 0.70 0.00 0.00 55.95 55.70 1x0n s SER 98 Cb -0.17 -1.44 -0.04 0.00 -1.71 0.00 0.00 66.02 62.67 1x0n s SER 98 CO 0.14 -0.18 -0.06 -0.69 1.20 0.00 0.00 173.24 173.65 1x0n s VAL 99 N 1.20 3.70 -0.16 4.45 1.01 0.16 -0.76 120.40 130.00 1x0n s VAL 99 Ca -0.07 -0.86 -0.12 0.00 0.00 0.00 0.00 61.98 60.94 1x0n s VAL 99 Cb -0.19 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 1x0n s VAL 99 CO -0.06 0.32 0.22 -0.75 0.00 0.00 0.00 175.10 174.83 1x0n s LYS 100 N -1.66 4.14 -0.33 2.72 2.20 -0.69 -0.35 119.74 125.77 1x0n s LYS 100 Ca 0.19 -0.03 0.00 0.00 -0.36 0.00 0.00 55.97 55.78 1x0n s LYS 100 Cb -0.11 -3.39 0.10 0.00 -1.51 0.00 0.00 37.83 32.92 1x0n s LYS 100 CO 0.10 0.33 0.11 -0.06 -0.36 0.00 0.00 175.35 175.47 1x0n s PHE 101 N 0.21 2.08 0.00 4.03 0.08 0.44 -3.78 117.98 121.04 1x0n s PHE 101 Ca 0.14 -2.03 0.00 0.00 0.12 0.00 0.00 56.93 55.16 1x0n s PHE 101 Cb -0.12 -1.94 0.00 0.00 -0.57 0.00 0.00 43.02 40.39 1x0n s PHE 101 CO 0.02 -0.88 0.00 0.41 -0.10 0.00 0.00 175.22 174.67 1x0n n GLY 102 N 4.59 1.31 0.72 4.36 0.00 -1.26 -1.38 105.19 113.53 1x0n n GLY 102 Ca 0.00 0.27 0.08 0.00 0.00 0.00 0.00 46.02 46.38 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 11.05 3.49 -3.89 1.61 5.15 -1.26 -4.96 115.26 126.45 1x0n n ASN 103 Ca 0.00 -2.86 -0.18 0.00 -0.60 0.00 0.00 54.58 50.93 1x0n n ASN 103 Cb 0.00 -0.47 -0.16 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 -1.92 0.72 -0.46 1.20 1.01 -0.48 -5.12 116.67 111.63 1x0n s ASP 104 Ca 0.37 -0.09 -0.18 0.00 0.71 0.00 0.00 52.55 53.36 1x0n s ASP 104 Cb 0.29 -0.31 0.04 0.00 1.01 0.00 0.00 42.92 43.96 1x0n s ASP 104 CO 0.09 -0.04 0.51 -0.69 0.21 0.00 0.00 175.17 175.25 1x0n s VAL 105 N 0.71 5.02 0.54 -1.27 1.01 -1.26 -0.42 120.40 124.73 1x0n s VAL 105 Ca -0.09 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.43 1x0n s VAL 105 Cb -0.12 -4.16 0.04 0.00 0.00 0.00 0.00 36.38 32.15 1x0n s VAL 105 CO -0.00 -0.60 0.75 -1.10 0.00 0.00 0.00 175.10 174.15 1x0n s GLN 106 N 2.27 2.50 0.18 2.72 -1.52 0.53 -4.94 119.66 121.39 1x0n s GLN 106 Ca 0.12 -1.00 -0.11 0.00 -1.95 0.00 0.00 55.36 52.42 1x0n s GLN 106 Cb -0.19 -2.55 0.00 0.00 -0.22 0.00 0.00 33.01 30.05 1x0n s GLN 106 CO 0.12 -0.70 0.36 -1.01 -0.25 0.00 0.00 175.29 173.81 1x0n s HIS 107 N -2.69 0.27 -0.14 0.91 3.76 -1.26 -0.66 115.29 115.47 1x0n s HIS 107 Ca 0.58 -0.63 -0.03 0.00 -0.15 0.00 0.00 55.06 54.83 1x0n s HIS 107 Cb -0.09 0.07 0.05 0.00 1.11 0.00 0.00 32.58 33.72 1x0n s HIS 107 CO 0.38 -0.79 0.06 -0.06 -0.85 0.00 0.00 174.74 173.47 1x0n s PHE 108 N -3.95 0.48 -0.23 1.40 0.40 0.51 -4.95 117.98 111.64 1x0n s PHE 108 Ca 0.16 -0.35 -0.29 0.00 -0.60 0.00 0.00 56.93 55.85 1x0n s PHE 108 Cb 0.02 -0.77 -0.03 0.00 0.51 0.00 0.00 43.02 42.75 1x0n s PHE 108 CO 0.00 -0.46 1.83 0.15 0.70 0.00 0.00 175.22 177.44 1x0n s LYS 109 N 2.04 3.54 -0.03 0.44 1.02 -1.26 -2.48 119.74 123.01 1x0n s LYS 109 Ca 0.02 1.74 -0.30 0.00 0.02 0.00 0.00 55.97 57.45 1x0n s LYS 109 Cb -0.15 -4.17 -0.05 0.00 -0.52 0.00 0.00 37.83 32.95 1x0n s LYS 109 CO -0.07 -1.61 1.37 0.08 -0.92 0.00 0.00 175.35 174.20 1x0n s VAL 110 N 6.30 3.85 -0.06 3.17 1.01 -1.08 -4.98 120.40 128.61 1x0n s VAL 110 Ca 0.81 1.19 -0.21 0.00 0.00 0.00 0.00 61.98 63.77 1x0n s VAL 110 Cb -0.27 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 1x0n s VAL 110 CO 0.33 -0.02 0.62 -0.76 0.00 0.00 0.00 175.10 175.27 1x0n s LEU 111 N 2.62 4.33 -0.03 3.92 2.01 -0.86 -4.68 118.68 125.99 1x0n s LEU 111 Ca 0.62 1.09 0.05 0.00 0.01 0.00 0.00 54.13 55.90 1x0n s LEU 111 Cb -0.29 -2.94 -0.01 0.00 0.01 0.00 0.00 46.19 42.96 1x0n s LEU 111 CO 0.25 -0.03 -0.17 -0.13 1.01 0.00 0.00 176.35 177.27 1x0n s ARG 112 N 0.48 1.70 0.16 1.70 0.52 -1.26 -0.56 118.95 121.69 1x0n s ARG 112 Ca 0.33 -0.62 -0.14 0.00 -0.52 0.00 0.00 55.73 54.78 1x0n s ARG 112 Cb -0.17 -1.52 0.02 0.00 0.52 0.00 0.00 34.95 33.80 1x0n s ARG 112 CO 0.16 0.29 0.40 -0.51 0.02 0.00 0.00 175.30 175.65 1x0n s ASP 113 N -0.10 -0.13 0.00 0.23 1.11 -0.86 -4.97 116.67 111.94 1x0n s ASP 113 Ca -0.01 -0.58 0.00 0.00 0.18 0.00 0.00 52.55 52.15 1x0n s ASP 113 Cb -0.10 0.49 0.00 0.00 1.07 0.00 0.00 42.92 44.38 1x0n s ASP 113 CO 0.01 -0.94 0.00 0.61 1.18 0.00 0.00 175.17 176.04 1x0n n GLY 114 N -0.26 1.89 0.75 0.21 0.00 -1.26 -3.36 105.19 103.17 1x0n n GLY 114 Ca -0.11 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.40 4.61 0.00 -1.26 -4.99 120.51 116.47 1x0n n ALA 115 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1x0n n ALA 115 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.17 0.92 3.70 0.00 0.00 -1.26 -5.09 105.19 102.29 1x0n n GLY 116 Ca 0.00 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.14 3.45 0.29 1.61 1.02 -1.21 -4.67 119.74 120.08 1x0n s LYS 117 Ca 0.25 -0.34 0.07 0.00 0.02 0.00 0.00 55.97 55.98 1x0n s LYS 117 Cb 0.30 -3.02 -0.03 0.00 -0.52 0.00 0.00 37.83 34.55 1x0n s LYS 117 CO -0.12 0.55 0.25 0.71 -0.92 0.00 0.00 175.35 175.82 1x0n s TYR 118 N -0.43 3.04 0.03 3.18 2.02 -0.85 -2.03 117.35 122.31 1x0n s TYR 118 Ca 0.09 -0.19 -0.29 0.00 -0.37 0.00 0.00 57.07 56.31 1x0n s TYR 118 Cb -0.12 -1.59 0.10 0.00 -0.40 0.00 0.00 41.96 39.95 1x0n s TYR 118 CO 0.02 0.36 1.13 -0.59 -1.57 0.00 0.00 175.55 174.89 1x0n s PHE 119 N -2.20 -0.11 0.00 2.71 -0.71 0.28 -0.42 117.98 117.53 1x0n s PHE 119 Ca 0.37 -0.07 0.00 0.00 -1.04 0.00 0.00 56.93 56.19 1x0n s PHE 119 Cb -0.07 0.58 0.00 0.00 -1.21 0.00 0.00 43.02 42.32 1x0n s PHE 119 CO 0.26 -0.50 0.00 1.28 -1.34 0.00 0.00 175.22 174.92 1x0n n LEU 120 N -0.43 0.00 -0.48 -1.99 4.77 -1.16 -2.03 117.00 115.68 1x0n n LEU 120 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1x0n n LEU 120 Cb 0.62 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 1x0n n LEU 120 CO 0.12 0.00 0.24 -2.67 -1.33 0.00 0.00 177.39 173.75 1x0n n TRP 121 N -0.15 0.00 0.00 -1.77 2.14 -1.26 -4.91 117.44 111.49 1x0n n TRP 121 Ca 0.00 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.57 1x0n n TRP 121 Cb 0.00 0.24 0.00 0.00 -0.81 0.00 0.00 31.31 30.74 1x0n n TRP 121 CO 0.00 0.00 0.00 1.33 2.07 0.00 0.00 177.69 181.09 1x0n n VAL 122 N 0.00 0.00 -4.15 -1.67 0.24 -1.26 -5.15 118.33 106.35 1x0n n VAL 122 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.19 1x0n n VAL 122 Cb 0.51 -0.06 -0.09 0.00 -1.47 0.00 0.00 33.84 32.73 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 -1.15 0.00 0.44 3.34 0.11 -1.26 -5.18 120.40 116.69 1x0n s VAL 123 Ca 0.00 -1.84 0.01 0.00 -2.93 0.00 0.00 61.98 57.22 1x0n s VAL 123 Cb 0.00 -2.42 0.01 0.00 -1.53 0.00 0.00 36.38 32.44 1x0n s VAL 123 CO 0.00 0.00 0.09 2.29 -3.33 0.00 0.00 175.10 174.15 1x0n n LYS 124 N -0.31 0.92 -3.47 1.54 2.85 -1.26 -2.98 118.16 115.46 1x0n n LYS 124 Ca 0.01 -3.06 -0.12 0.00 -1.05 0.00 0.00 58.31 54.09 1x0n n LYS 124 Cb 0.65 0.70 -0.03 0.00 -0.65 0.00 0.00 35.03 35.70 1x0n n LYS 124 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1x0n s PHE 125 N -2.48 -0.48 -0.08 5.58 0.40 0.45 -4.92 117.98 116.44 1x0n s PHE 125 Ca 0.07 0.27 0.01 0.00 -0.60 0.00 0.00 56.93 56.68 1x0n s PHE 125 Cb -0.01 0.50 -0.25 0.00 0.51 0.00 0.00 43.02 43.77 1x0n s PHE 125 CO 0.04 -0.81 0.50 0.09 0.70 0.00 0.00 175.22 175.75 1x0n n ASN 126 N -0.30 1.62 -4.12 1.36 5.03 -1.26 -2.01 115.26 115.58 1x0n n ASN 126 Ca -0.17 0.30 -0.17 0.00 0.87 0.00 0.00 54.58 55.42 1x0n n ASN 126 Cb 0.64 -0.55 -0.10 0.00 -1.02 0.00 0.00 39.78 38.76 1x0n n ASN 126 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1x0n s SER 127 N -6.66 1.12 0.01 6.41 0.15 -1.26 -4.58 113.70 108.89 1x0n s SER 127 Ca -0.15 -1.47 -0.21 0.00 0.70 0.00 0.00 55.95 54.82 1x0n s SER 127 Cb 0.07 0.32 -0.19 0.00 -1.71 0.00 0.00 66.02 64.51 1x0n s SER 127 CO 0.80 -0.83 1.20 -0.07 1.20 0.00 0.00 173.24 175.54 1x0n h LEU 128 N 2.36 0.40 -1.32 3.45 3.38 -1.94 -3.19 115.31 118.44 1x0n h LEU 128 Ca -0.35 -0.63 0.30 0.00 0.09 0.00 0.00 57.88 57.29 1x0n h LEU 128 Cb 1.25 -0.12 -0.11 0.00 0.09 0.00 0.00 40.66 41.77 1x0n h LEU 128 CO 0.54 0.96 0.69 -0.55 0.09 0.00 0.00 178.44 180.17 1x0n h ASN 129 N -0.14 0.43 -0.58 -0.43 -1.07 -1.99 0.63 115.58 112.42 1x0n h ASN 129 Ca -0.01 0.11 -0.03 0.00 0.07 0.00 0.00 56.30 56.43 1x0n h ASN 129 Cb 0.93 0.05 -0.03 0.00 -2.07 0.00 0.00 38.32 37.20 1x0n h ASN 129 CO 0.06 0.02 0.26 -0.08 0.07 0.00 0.00 177.43 177.76 1x0n h GLU 130 N 0.34 0.88 -0.05 4.14 4.22 -1.98 -2.48 114.58 119.66 1x0n h GLU 130 Ca 0.65 -0.13 -0.20 0.00 0.08 0.00 0.00 59.36 59.76 1x0n h GLU 130 Cb 1.71 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.80 1x0n h GLU 130 CO -0.36 0.71 -0.82 -0.07 -2.18 0.00 0.00 179.01 176.29 1x0n h LEU 131 N 0.87 0.50 0.03 1.64 4.07 0.12 -2.25 115.31 120.30 1x0n h LEU 131 Ca 0.21 -0.36 0.01 0.00 0.08 0.00 0.00 57.88 57.82 1x0n h LEU 131 Cb 0.14 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 41.71 1x0n h LEU 131 CO -0.02 1.13 -0.09 0.58 -1.08 0.00 0.00 178.44 178.96 1x0n h VAL 132 N 0.26 0.78 0.22 1.22 2.07 -0.82 -2.64 116.25 117.33 1x0n h VAL 132 Ca -0.05 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1x0n h VAL 132 Cb 1.42 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 1x0n h VAL 132 CO 0.14 0.00 -0.10 0.44 0.02 0.00 0.00 177.57 178.07 1x0n h ASP 133 N -0.17 -0.25 -0.84 0.57 5.19 -1.53 -1.37 116.42 118.02 1x0n h ASP 133 Ca 0.02 -0.25 0.14 0.00 -0.62 0.00 0.00 57.03 56.32 1x0n h ASP 133 Cb 0.19 0.06 -0.14 0.00 0.18 0.00 0.00 39.33 39.62 1x0n h ASP 133 CO -0.07 0.16 -0.29 0.00 -3.12 0.00 0.00 179.24 175.93 1x0n n TYR 134 N -5.04 0.12 0.02 4.55 4.19 -0.85 0.11 117.16 120.26 1x0n n TYR 134 Ca -0.09 1.03 -0.13 0.00 3.31 0.00 0.00 57.90 62.02 1x0n n TYR 134 Cb 0.25 -0.87 -0.02 0.00 0.49 0.00 0.00 39.34 39.19 1x0n n TYR 134 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 1x0n h HIS 135 N 0.00 0.78 -0.66 2.98 3.86 -1.50 0.30 115.15 120.91 1x0n h HIS 135 Ca 0.33 -0.35 0.19 0.00 -1.16 0.00 0.00 60.37 59.38 1x0n h HIS 135 Cb 0.54 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.86 1x0n h HIS 135 CO -0.70 1.15 0.72 -0.09 0.86 0.00 0.00 177.93 179.86 1x0n h ARG 136 N 0.39 0.00 0.00 2.45 2.43 0.20 -1.19 114.38 118.66 1x0n h ARG 136 Ca -0.05 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 58.98 1x0n h ARG 136 Cb 1.38 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.90 1x0n h ARG 136 CO 0.14 0.00 -1.54 -1.13 -1.51 0.00 0.00 179.97 175.93 1x0n n SER 137 N -3.57 3.10 -4.79 -3.80 3.41 -0.75 -3.84 113.62 103.39 1x0n n SER 137 Ca 0.14 -0.01 -0.36 0.00 -0.26 0.00 0.00 58.87 58.38 1x0n n SER 137 Cb 0.95 0.54 -0.08 0.00 -0.26 0.00 0.00 64.21 65.37 1x0n n SER 137 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1x0n s THR 138 N -2.19 4.95 0.93 6.66 2.01 0.09 -4.97 115.64 123.11 1x0n s THR 138 Ca -0.06 -0.02 -0.16 0.00 0.31 0.00 0.00 61.69 61.76 1x0n s THR 138 Cb 0.03 -3.13 -0.14 0.00 0.01 0.00 0.00 72.50 69.26 1x0n s THR 138 CO 0.30 0.60 -0.73 -1.54 -0.69 0.00 0.00 174.62 172.56 1x0n n SER 139 N 2.01 -5.66 0.00 3.53 3.41 -1.26 -4.25 113.62 111.39 1x0n n SER 139 Ca -0.19 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1x0n n SER 139 Cb 0.54 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 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 -2.34 0.00 -2.96 -3.33 3.14 -1.22 -4.81 118.33 106.82 1x0n n VAL 140 Ca -0.01 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 60.97 1x0n n VAL 140 Cb 0.53 -0.15 -0.05 0.00 -1.06 0.00 0.00 33.84 33.11 1x0n n VAL 140 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1x0n s SER 141 N -2.75 7.19 -0.18 6.55 0.15 -1.26 -4.94 113.70 118.45 1x0n s SER 141 Ca 0.00 1.42 0.01 0.00 0.70 0.00 0.00 55.95 58.08 1x0n s SER 141 Cb 0.00 -2.47 0.22 0.00 -1.71 0.00 0.00 66.02 62.06 1x0n s SER 141 CO 0.00 -0.05 1.50 0.54 1.20 0.00 0.00 173.24 176.44 1x0n n ARG 142 N 3.14 1.48 0.03 5.44 1.74 -1.26 -3.98 116.66 123.25 1x0n n ARG 142 Ca -0.01 -1.09 0.00 0.00 -0.77 0.00 0.00 57.85 55.98 1x0n n ARG 142 Cb 0.50 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.52 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 0.10 0.11 -2.15 0.55 2.85 -1.26 -5.14 115.26 110.32 1x0n n ASN 143 Ca 0.22 0.11 -0.04 0.00 -0.11 0.00 0.00 54.58 54.75 1x0n n ASN 143 Cb 0.83 0.03 -0.01 0.00 1.24 0.00 0.00 39.78 41.87 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 -2.95 1.50 -3.60 1.20 -0.06 -1.26 -5.11 117.38 107.11 1x0n n GLN 144 Ca 0.00 -0.48 -0.40 0.00 -2.00 0.00 0.00 57.00 54.12 1x0n n GLN 144 Cb 0.15 0.17 -0.09 0.00 -4.06 0.00 0.00 30.24 26.42 1x0n n GLN 144 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 1x0n s GLN 145 N -2.23 2.52 0.11 3.69 -0.21 -1.26 -4.58 119.66 117.70 1x0n s GLN 145 Ca 0.01 -1.99 0.03 0.00 0.02 0.00 0.00 55.36 53.43 1x0n s GLN 145 Cb 0.00 -3.88 -0.04 0.00 1.00 0.00 0.00 33.01 30.09 1x0n s GLN 145 CO 0.01 -1.18 -0.08 0.42 -2.12 0.00 0.00 175.29 172.34 1x0n s ILE 146 N 0.94 0.83 0.13 1.08 1.01 -1.26 -5.09 121.20 118.84 1x0n s ILE 146 Ca 0.09 -1.89 0.08 0.00 0.00 0.00 0.00 60.65 58.93 1x0n s ILE 146 Cb -0.23 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.56 1x0n s ILE 146 CO -0.03 -0.78 -0.13 -0.36 0.00 0.00 0.00 174.94 173.64 1x0n s PHE 147 N -3.31 2.63 -0.39 3.97 0.08 -1.26 -3.38 117.98 116.31 1x0n s PHE 147 Ca 0.11 -0.22 -0.28 0.00 0.12 0.00 0.00 56.93 56.66 1x0n s PHE 147 Cb 0.03 -1.35 -0.01 0.00 -0.57 0.00 0.00 43.02 41.12 1x0n s PHE 147 CO -0.03 0.44 1.66 -1.17 -0.10 0.00 0.00 175.22 176.02 1x0n s LEU 148 N -2.37 3.51 0.02 -0.37 2.96 -1.12 -4.49 118.68 116.82 1x0n s LEU 148 Ca 0.21 1.04 -0.23 0.00 -0.22 0.00 0.00 54.13 54.92 1x0n s LEU 148 Cb -0.10 -3.43 -0.05 0.00 0.50 0.00 0.00 46.19 43.10 1x0n s LEU 148 CO 0.13 -1.67 0.71 -0.13 -1.32 0.00 0.00 176.35 174.07 1x0n s ARG 149 N 5.52 4.44 -0.41 1.98 1.81 0.46 -4.24 118.95 128.51 1x0n s ARG 149 Ca 0.72 0.95 -0.28 0.00 -1.72 0.00 0.00 55.73 55.39 1x0n s ARG 149 Cb -0.18 -3.37 -0.01 0.00 -0.45 0.00 0.00 34.95 30.94 1x0n s ARG 149 CO 0.32 0.28 1.73 -0.51 -0.68 0.00 0.00 175.30 176.44 1x0n s ASP 150 N 0.02 5.86 0.66 0.23 1.01 -1.26 -2.84 116.67 120.35 1x0n s ASP 150 Ca 0.36 1.00 -0.17 0.00 0.71 0.00 0.00 52.55 54.45 1x0n s ASP 150 Cb -0.19 -2.53 -0.03 0.00 1.01 0.00 0.00 42.92 41.18 1x0n s ASP 150 CO 0.21 -1.79 0.90 0.00 0.21 0.00 0.00 175.17 174.70 1x0n n ILE 151 N 7.30 3.18 -3.17 0.77 3.06 -1.26 -4.92 119.36 124.33 1x0n n ILE 151 Ca 0.21 -0.44 -0.46 0.00 -2.50 0.00 0.00 62.75 59.56 1x0n n ILE 151 Cb 0.48 -1.07 -0.02 0.00 0.54 0.00 0.00 39.64 39.58 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 -2.96 3.71 0.82 9.51 2.02 -1.26 -4.82 118.70 125.72 1x0n s GLU 152 Ca 0.74 -2.32 -0.11 0.00 0.02 0.00 0.00 54.97 53.30 1x0n s GLU 152 Cb -0.38 -4.65 0.09 0.00 0.10 0.00 0.00 34.13 29.29 1x0n s GLU 152 CO 0.49 -1.48 1.13 -1.14 0.02 0.00 0.00 175.26 174.28 1x0n s GLN 153 N 0.95 1.72 -0.20 1.61 -0.44 -1.26 -4.83 119.66 117.21 1x0n s GLN 153 Ca 0.26 1.42 -0.43 0.00 -2.50 0.00 0.00 55.36 54.12 1x0n s GLN 153 Cb -0.08 -1.82 -0.20 0.00 -1.64 0.00 0.00 33.01 29.28 1x0n s GLN 153 CO -0.08 -2.09 1.28 1.55 0.50 0.00 0.00 175.29 176.45 1x0n n VAL 154 N -3.68 0.00 -1.24 1.34 3.14 -1.26 -4.90 118.33 111.74 1x0n n VAL 154 Ca 0.11 -0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.18 1x0n n VAL 154 Cb 0.52 -0.21 0.11 0.00 -1.06 0.00 0.00 33.84 33.20 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 1.20 1.84 -0.30 1.45 0.04 -1.26 -5.06 135.00 132.90 1x0n s PRO 155 Ca 0.96 1.02 -0.01 0.00 0.04 0.00 0.00 61.00 63.01 1x0n s PRO 155 Cb -1.36 -1.86 0.13 0.00 0.04 0.00 0.00 34.50 31.45 1x0n s PRO 155 CO 0.67 -1.89 0.24 -1.14 0.04 0.00 0.00 177.00 174.91 1x0n s GLN 156 N -4.92 0.33 0.29 4.56 0.74 -1.26 -5.13 119.66 114.26 1x0n s GLN 156 Ca 0.62 -0.46 -0.29 0.00 0.05 0.00 0.00 55.36 55.28 1x0n s GLN 156 Cb -0.17 -0.90 -0.14 0.00 1.10 0.00 0.00 33.01 32.90 1x0n s GLN 156 CO 0.56 -1.06 1.08 0.00 -0.55 0.00 0.00 175.29 175.33 1x0n n GLN 157 N 5.07 1.49 -1.24 1.67 10.64 -1.26 -4.94 117.38 128.80 1x0n n GLN 157 Ca -0.01 0.52 -0.31 0.00 -1.83 0.00 0.00 57.00 55.38 1x0n n GLN 157 Cb 0.44 -1.95 0.10 0.00 -0.86 0.00 0.00 30.24 27.97 1x0n n GLN 157 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 1x0n s PRO 158 N -1.45 2.02 0.00 2.61 0.04 -1.26 -5.35 135.00 131.60 1x0n s PRO 158 Ca 0.60 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1x0n s PRO 158 Cb -0.69 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 31.97 1x0n s PRO 158 CO 0.59 -1.79 0.01 2.41 0.04 0.00 0.00 177.00 178.27