#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ajw n VAL 61 N 0.00 0.00 -2.09 0.00 0.31 -1.26 -5.11 118.33 110.18 1ajw n VAL 61 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.04 1ajw n VAL 61 Cb 0.00 -0.47 0.04 0.00 -0.91 0.00 0.00 33.84 32.49 1ajw n VAL 61 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1ajw s SER 62 N -4.85 5.53 -0.03 4.52 0.01 -1.26 -5.00 113.70 112.61 1ajw s SER 62 Ca 0.00 0.97 0.14 0.00 1.31 0.00 0.00 55.95 58.37 1ajw s SER 62 Cb 0.00 -1.85 -0.21 0.00 0.21 0.00 0.00 66.02 64.17 1ajw s SER 62 CO 0.00 -1.22 0.64 0.00 0.41 0.00 0.00 173.24 173.07 1ajw n ALA 63 N -2.83 1.63 -2.58 1.44 0.00 -1.26 -4.90 120.51 112.01 1ajw n ALA 63 Ca 0.06 -0.76 -0.24 0.00 0.00 0.00 0.00 53.44 52.50 1ajw n ALA 63 Cb 0.57 -0.81 -0.15 0.00 0.00 0.00 0.00 19.45 19.06 1ajw n ALA 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ajw s ASP 64 N -5.92 1.84 -0.08 0.00 1.01 -1.26 -5.05 116.67 107.21 1ajw s ASP 64 Ca -0.05 -0.29 -0.24 0.00 0.71 0.00 0.00 52.55 52.69 1ajw s ASP 64 Cb 0.08 -0.24 -0.20 0.00 1.01 0.00 0.00 42.92 43.57 1ajw s ASP 64 CO 0.82 0.19 0.90 1.55 0.21 0.00 0.00 175.17 178.84 1ajw h PRO 65 N 5.82 -0.06 -4.70 8.23 0.13 -2.05 -3.48 132.00 135.89 1ajw h PRO 65 Ca -0.35 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.36 1ajw h PRO 65 Cb 1.16 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.19 1ajw h PRO 65 CO 0.49 0.57 -0.41 0.54 -0.23 0.00 0.00 178.00 178.96 1ajw s ASN 66 N -5.81 1.51 -0.07 1.44 2.20 -1.26 -5.16 114.94 107.79 1ajw s ASN 66 Ca -0.15 -1.70 -0.00 0.00 -0.94 0.00 0.00 52.86 50.06 1ajw s ASN 66 Cb -0.00 0.59 -0.03 0.00 -2.00 0.00 0.00 41.25 39.80 1ajw s ASN 66 CO 0.58 -1.14 -0.03 -0.69 -2.94 0.00 0.00 177.10 172.89 1ajw s VAL 67 N -3.30 4.01 0.00 3.54 1.01 -1.26 -5.12 120.40 119.28 1ajw s VAL 67 Ca 0.38 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1ajw s VAL 67 Cb 0.02 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.72 1ajw s VAL 67 CO 0.26 0.59 0.00 -0.81 0.00 0.00 0.00 175.10 175.14 1ajw n PRO 68 N 2.12 0.12 -0.04 2.72 -0.04 -1.26 -4.98 135.00 133.65 1ajw n PRO 68 Ca -0.18 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.25 1ajw n PRO 68 Cb 0.53 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.98 1ajw n PRO 68 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1ajw n ASN 69 N -1.78 0.79 -3.65 3.54 4.05 -1.26 -4.44 115.26 112.52 1ajw n ASN 69 Ca 0.00 0.19 -0.19 0.00 0.45 0.00 0.00 54.58 55.03 1ajw n ASN 69 Cb 0.00 -0.61 -0.16 0.00 1.23 0.00 0.00 39.78 40.24 1ajw n ASN 69 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1ajw s VAL 70 N -1.74 -0.19 0.01 3.44 1.01 -1.25 -3.18 120.40 118.50 1ajw s VAL 70 Ca -0.11 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.14 1ajw s VAL 70 Cb 0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 36.38 36.07 1ajw s VAL 70 CO 0.16 0.07 -0.02 -0.69 0.00 0.00 0.00 175.10 174.62 1ajw s VAL 71 N 2.23 0.08 -0.55 2.92 1.01 -1.25 -4.67 120.40 120.18 1ajw s VAL 71 Ca 0.04 -0.39 -0.26 0.00 0.00 0.00 0.00 61.98 61.37 1ajw s VAL 71 Cb -0.13 -0.14 -0.05 0.00 0.00 0.00 0.00 36.38 36.06 1ajw s VAL 71 CO -0.06 -0.19 2.18 -0.69 0.00 0.00 0.00 175.10 176.34 1ajw s VAL 72 N -0.60 3.15 0.05 2.92 1.01 -1.26 -3.27 120.40 122.41 1ajw s VAL 72 Ca -0.06 0.08 -0.18 0.00 0.00 0.00 0.00 61.98 61.82 1ajw s VAL 72 Cb -0.04 -3.41 -0.14 0.00 0.00 0.00 0.00 36.38 32.79 1ajw s VAL 72 CO -0.00 -0.40 1.33 0.71 0.00 0.00 0.00 175.10 176.74 1ajw h THR 73 N 7.35 1.35 -3.15 3.92 1.35 -0.44 -3.37 112.91 119.92 1ajw h THR 73 Ca -0.24 -1.49 -0.05 0.00 -0.55 0.00 0.00 66.41 64.07 1ajw h THR 73 Cb 1.22 1.89 -0.14 0.00 -1.73 0.00 0.00 68.15 69.39 1ajw h THR 73 CO 1.18 0.45 -0.02 -0.60 -0.25 0.00 0.00 175.52 176.29 1ajw s ARG 74 N -4.13 1.06 0.17 4.72 3.00 -0.98 -1.69 118.95 121.10 1ajw s ARG 74 Ca -0.13 -0.52 0.11 0.00 -1.00 0.00 0.00 55.73 54.19 1ajw s ARG 74 Cb 0.06 0.48 -0.04 0.00 0.00 0.00 0.00 34.95 35.44 1ajw s ARG 74 CO 0.79 -0.41 -0.24 -1.17 0.00 0.00 0.00 175.30 174.28 1ajw s LEU 75 N -2.49 2.46 0.03 -0.88 0.20 -0.16 -1.18 118.68 116.65 1ajw s LEU 75 Ca -0.00 -0.79 -0.00 0.00 0.69 0.00 0.00 54.13 54.03 1ajw s LEU 75 Cb 0.01 -1.25 -0.03 0.00 -0.43 0.00 0.00 46.19 44.49 1ajw s LEU 75 CO -0.08 0.14 -0.03 -0.89 -0.29 0.00 0.00 176.35 175.20 1ajw s THR 76 N -1.44 0.16 -0.43 3.68 2.01 -1.04 -1.81 115.64 116.78 1ajw s THR 76 Ca 0.19 -1.16 0.03 0.00 0.31 0.00 0.00 61.69 61.06 1ajw s THR 76 Cb -0.09 -0.61 0.16 0.00 0.01 0.00 0.00 72.50 71.97 1ajw s THR 76 CO 0.09 -0.63 0.31 -0.76 -0.69 0.00 0.00 174.62 172.95 1ajw s LEU 77 N -1.85 1.81 0.50 4.42 1.43 -1.09 -2.26 118.68 121.64 1ajw s LEU 77 Ca -0.10 -2.89 -0.20 0.00 -1.03 0.00 0.00 54.13 49.91 1ajw s LEU 77 Cb -0.05 -0.62 -0.07 0.00 0.03 0.00 0.00 46.19 45.48 1ajw s LEU 77 CO -0.03 -0.20 1.10 -0.69 0.23 0.00 0.00 176.35 176.75 1ajw s VAL 78 N 0.17 3.40 0.00 -1.59 1.01 -0.93 -3.25 120.40 119.21 1ajw s VAL 78 Ca 0.27 0.91 0.00 0.00 0.00 0.00 0.00 61.98 63.16 1ajw s VAL 78 Cb -0.07 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1ajw s VAL 78 CO -0.12 -0.15 0.00 0.00 0.00 0.00 0.00 175.10 174.82 1ajw n SER 80 N -1.19 0.00 -2.05 0.00 3.41 -1.26 -4.73 113.62 107.80 1ajw n SER 80 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.39 1ajw n SER 80 Cb 0.00 -0.13 0.13 0.00 -0.26 0.00 0.00 64.21 63.95 1ajw n SER 80 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ajw n THR 81 N -1.75 2.94 -2.50 6.66 -2.24 -1.26 -4.95 114.28 111.17 1ajw n THR 81 Ca 0.00 -1.80 -0.25 0.00 -2.27 0.00 0.00 64.05 59.74 1ajw n THR 81 Cb 0.00 -0.74 0.13 0.00 -2.10 0.00 0.00 70.33 67.62 1ajw n THR 81 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ajw s ALA 82 N -2.79 3.49 0.12 6.98 0.00 -1.26 -4.63 121.76 123.67 1ajw s ALA 82 Ca 0.48 -1.73 0.16 0.00 0.00 0.00 0.00 51.96 50.86 1ajw s ALA 82 Cb 0.40 -2.08 0.45 0.00 0.00 0.00 0.00 23.12 21.88 1ajw s ALA 82 CO 0.06 -1.69 1.62 -1.00 0.00 0.00 0.00 175.76 174.76 1ajw h PRO 83 N -0.76 0.00 0.00 0.00 0.13 -1.93 -3.49 132.00 125.96 1ajw h PRO 83 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1ajw h PRO 83 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1ajw h PRO 83 CO 0.38 0.49 0.00 0.41 -0.23 0.00 0.00 178.00 179.04 1ajw n GLY 84 N 0.51 -2.21 3.61 1.56 0.00 -1.26 -5.08 105.19 102.32 1ajw n GLY 84 Ca 0.00 -1.43 -0.43 0.00 0.00 0.00 0.00 46.02 44.16 1ajw n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ajw s PRO 85 N -1.84 3.57 -0.15 1.61 0.04 -1.26 -4.73 135.00 132.24 1ajw s PRO 85 Ca 0.00 1.27 -0.29 0.00 0.04 0.00 0.00 61.00 62.02 1ajw s PRO 85 Cb 0.00 -4.07 -0.05 0.00 0.04 0.00 0.00 34.50 30.42 1ajw s PRO 85 CO 0.00 -1.57 1.80 -0.51 0.04 0.00 0.00 177.00 176.76 1ajw s LEU 86 N 5.76 3.97 -0.07 -3.56 1.43 -1.20 -4.58 118.68 120.43 1ajw s LEU 86 Ca 0.69 1.95 -0.12 0.00 -1.03 0.00 0.00 54.13 55.62 1ajw s LEU 86 Cb -0.19 -3.53 -0.05 0.00 0.03 0.00 0.00 46.19 42.45 1ajw s LEU 86 CO 0.32 -1.31 0.30 -0.70 0.23 0.00 0.00 176.35 175.19 1ajw s GLU 87 N 4.86 3.84 -0.09 1.70 2.12 -1.26 -2.65 118.70 127.22 1ajw s GLU 87 Ca 0.80 0.18 -0.01 0.00 0.36 0.00 0.00 54.97 56.30 1ajw s GLU 87 Cb -0.31 -3.26 0.03 0.00 0.26 0.00 0.00 34.13 30.85 1ajw s GLU 87 CO 0.33 0.62 -0.03 -0.51 -0.54 0.00 0.00 175.26 175.12 1ajw s LEU 88 N -0.72 0.89 0.34 2.70 1.43 -0.75 -4.94 118.68 117.63 1ajw s LEU 88 Ca 0.19 -0.21 -0.27 0.00 -1.03 0.00 0.00 54.13 52.81 1ajw s LEU 88 Cb -0.14 -0.63 -0.09 0.00 0.03 0.00 0.00 46.19 45.35 1ajw s LEU 88 CO 0.08 -0.16 1.16 -0.62 0.23 0.00 0.00 176.35 177.04 1ajw s ASP 89 N 1.85 6.86 -0.36 2.29 2.15 -1.26 -0.99 116.67 127.19 1ajw s ASP 89 Ca 0.05 2.37 0.14 0.00 0.43 0.00 0.00 52.55 55.53 1ajw s ASP 89 Cb -0.13 -2.62 0.39 0.00 -0.30 0.00 0.00 42.92 40.26 1ajw s ASP 89 CO -0.07 -0.44 0.83 0.18 -0.17 0.00 0.00 175.17 175.50 1ajw n LEU 90 N 0.60 1.32 -0.02 -1.34 4.77 -0.68 -4.83 117.00 116.82 1ajw n LEU 90 Ca 0.02 -4.60 -0.02 0.00 -0.03 0.00 0.00 56.01 51.37 1ajw n LEU 90 Cb 0.45 0.53 -0.01 0.00 -2.33 0.00 0.00 43.42 42.06 1ajw n LEU 90 CO 0.53 2.04 -0.18 0.35 -1.33 0.00 0.00 177.39 178.80 1ajw n THR 91 N 0.12 0.54 0.00 -5.08 -2.24 -1.26 -4.27 114.28 102.09 1ajw n THR 91 Ca 0.20 0.30 0.00 0.00 -2.27 0.00 0.00 64.05 62.28 1ajw n THR 91 Cb 0.70 -1.64 0.00 0.00 -2.10 0.00 0.00 70.33 67.29 1ajw n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ajw n GLY 92 N 2.09 -0.11 2.68 3.38 0.00 -1.26 -4.94 105.19 107.03 1ajw n GLY 92 Ca -0.04 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 1ajw n GLY 92 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ajw n ASP 93 N -2.10 5.08 -0.20 1.61 8.00 -1.26 -4.56 116.55 123.11 1ajw n ASP 93 Ca 0.00 -2.62 0.15 0.00 0.71 0.00 0.00 54.79 53.03 1ajw n ASP 93 Cb 0.00 -1.38 0.77 0.00 -0.02 0.00 0.00 41.12 40.48 1ajw n ASP 93 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ajw n LEU 94 N 5.32 0.63 0.23 0.64 4.77 -1.26 -3.96 117.00 123.38 1ajw n LEU 94 Ca 0.57 -0.21 0.14 0.00 -0.03 0.00 0.00 56.01 56.48 1ajw n LEU 94 Cb 0.29 -0.00 0.79 0.00 -2.33 0.00 0.00 43.42 42.17 1ajw n LEU 94 CO 0.88 0.11 1.12 -0.08 -1.33 0.00 0.00 177.39 178.08 1ajw h GLU 95 N 0.99 0.00 0.00 3.23 4.57 -1.98 -0.67 114.58 120.72 1ajw h GLU 95 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1ajw h GLU 95 Cb 0.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1ajw h GLU 95 CO 0.00 0.00 0.00 0.43 -1.18 0.00 0.00 179.01 178.26 1ajw n SER 96 N -4.10 0.50 0.02 1.04 7.64 -1.25 -3.02 113.62 114.44 1ajw n SER 96 Ca -0.01 0.67 -0.12 0.00 1.01 0.00 0.00 58.87 60.42 1ajw n SER 96 Cb 0.20 -0.76 -0.09 0.00 -1.01 0.00 0.00 64.21 62.56 1ajw n SER 96 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 1ajw h PHE 97 N 0.00 -0.12 -0.01 1.43 -1.00 -1.42 -3.12 116.94 112.69 1ajw h PHE 97 Ca 0.00 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1ajw h PHE 97 Cb 0.19 0.04 -0.00 0.00 3.61 0.00 0.00 35.95 39.79 1ajw h PHE 97 CO 0.00 0.38 0.12 1.57 -1.61 0.00 0.00 178.31 178.77 1ajw h LYS 98 N -0.74 0.00 -1.22 1.51 2.10 -1.71 -2.10 116.57 114.40 1ajw h LYS 98 Ca -0.01 0.00 -0.61 0.00 -2.00 0.00 0.00 60.65 58.03 1ajw h LYS 98 Cb 0.56 0.00 -0.39 0.00 -0.90 0.00 0.00 32.23 31.50 1ajw h LYS 98 CO 0.02 0.00 -0.34 1.17 -2.00 0.00 0.00 179.45 178.30 1ajw n LYS 99 N -3.05 3.32 -3.60 0.07 4.81 -1.18 -5.00 118.16 113.53 1ajw n LYS 99 Ca -0.03 -4.11 -0.10 0.00 -0.87 0.00 0.00 58.31 53.21 1ajw n LYS 99 Cb 0.18 -2.27 -0.06 0.00 0.02 0.00 0.00 35.03 32.90 1ajw n LYS 99 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 1ajw s GLN 100 N -3.67 0.56 -0.16 1.64 0.74 -0.79 -4.99 119.66 112.99 1ajw s GLN 100 Ca 0.52 0.29 -0.09 0.00 0.05 0.00 0.00 55.36 56.13 1ajw s GLN 100 Cb 0.42 0.27 0.05 0.00 1.10 0.00 0.00 33.01 34.85 1ajw s GLN 100 CO -0.11 -0.14 0.39 -1.54 -0.55 0.00 0.00 175.29 173.34 1ajw s SER 101 N -0.65 -0.48 -0.12 6.67 1.04 -1.26 -4.13 113.70 114.76 1ajw s SER 101 Ca -0.00 0.84 -0.29 0.00 0.48 0.00 0.00 55.95 56.98 1ajw s SER 101 Cb -0.02 0.74 -0.02 0.00 0.10 0.00 0.00 66.02 66.83 1ajw s SER 101 CO -0.01 -0.18 1.15 -0.36 0.98 0.00 0.00 173.24 174.81 1ajw s PHE 102 N 1.22 3.19 -0.36 5.02 0.08 -1.09 -4.67 117.98 121.38 1ajw s PHE 102 Ca -0.08 1.28 -0.29 0.00 0.12 0.00 0.00 56.93 57.96 1ajw s PHE 102 Cb -0.08 -3.37 0.01 0.00 -0.57 0.00 0.00 43.02 39.01 1ajw s PHE 102 CO -0.11 -1.05 1.28 0.08 -0.10 0.00 0.00 175.22 175.33 1ajw s VAL 103 N 2.68 4.13 0.22 -0.44 1.01 -1.26 -1.70 120.40 125.04 1ajw s VAL 103 Ca 0.52 1.23 0.09 0.00 0.00 0.00 0.00 61.98 63.82 1ajw s VAL 103 Cb -0.21 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 1ajw s VAL 103 CO 0.16 -0.63 -0.05 -0.22 0.00 0.00 0.00 175.10 174.36 1ajw s LEU 104 N 4.58 3.09 0.64 3.92 0.20 0.28 -4.94 118.68 126.45 1ajw s LEU 104 Ca 0.55 -0.60 -0.10 0.00 0.69 0.00 0.00 54.13 54.67 1ajw s LEU 104 Cb -0.14 -1.70 -0.02 0.00 -0.43 0.00 0.00 46.19 43.90 1ajw s LEU 104 CO 0.26 0.06 1.03 -0.75 -0.29 0.00 0.00 176.35 176.66 1ajw s LYS 105 N -3.20 3.31 -0.96 1.98 2.20 -1.26 0.11 119.74 121.93 1ajw s LYS 105 Ca 0.28 0.57 -0.31 0.00 -0.36 0.00 0.00 55.97 56.14 1ajw s LYS 105 Cb -0.08 -2.09 -0.21 0.00 -1.51 0.00 0.00 37.83 33.94 1ajw s LYS 105 CO 0.17 -0.71 2.67 0.39 -0.36 0.00 0.00 175.35 177.51 1ajw n GLU 106 N -2.79 0.04 -3.39 4.03 1.02 -0.75 -3.23 120.64 115.58 1ajw n GLU 106 Ca 0.06 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.04 1ajw n GLU 106 Cb 0.55 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 1ajw n GLU 106 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ajw n GLY 107 N 6.52 -0.57 0.00 0.62 0.00 0.13 -4.54 105.19 107.35 1ajw n GLY 107 Ca 0.64 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.92 1ajw n GLY 107 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ajw n VAL 108 N -2.00 0.00 -4.10 1.61 0.24 -1.20 -4.22 118.33 108.66 1ajw n VAL 108 Ca -0.13 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.85 1ajw n VAL 108 Cb 0.32 -1.90 -0.16 0.00 -1.47 0.00 0.00 33.84 30.63 1ajw n VAL 108 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1ajw s GLU 109 N -0.20 2.76 0.04 7.34 -1.05 -1.26 -1.74 118.70 124.60 1ajw s GLU 109 Ca 0.00 -0.98 0.01 0.00 -0.15 0.00 0.00 54.97 53.86 1ajw s GLU 109 Cb 0.00 -2.65 -0.03 0.00 -0.44 0.00 0.00 34.13 31.01 1ajw s GLU 109 CO 0.00 -0.31 -0.06 1.52 0.95 0.00 0.00 175.26 177.36 1ajw s TYR 110 N 1.24 0.55 0.10 4.83 -0.85 0.15 -4.54 117.35 118.83 1ajw s TYR 110 Ca 0.01 -0.61 0.05 0.00 -0.52 0.00 0.00 57.07 56.00 1ajw s TYR 110 Cb -0.15 -0.34 -0.04 0.00 0.38 0.00 0.00 41.96 41.81 1ajw s TYR 110 CO -0.11 -0.15 -0.02 -0.98 -1.52 0.00 0.00 175.55 172.77 1ajw s ARG 111 N -2.03 2.46 0.11 -3.49 1.70 -1.12 0.13 118.95 116.71 1ajw s ARG 111 Ca -0.08 -0.89 0.04 0.00 -0.47 0.00 0.00 55.73 54.33 1ajw s ARG 111 Cb -0.06 -2.48 -0.04 0.00 -0.57 0.00 0.00 34.95 31.79 1ajw s ARG 111 CO -0.02 0.53 0.10 0.42 -1.08 0.00 0.00 175.30 175.25 1ajw s ILE 112 N -1.32 4.54 -0.42 4.99 1.01 -1.20 -2.19 121.20 126.61 1ajw s ILE 112 Ca 0.25 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 60.07 1ajw s ILE 112 Cb -0.11 -3.23 0.12 0.00 0.01 0.00 0.00 42.46 39.25 1ajw s ILE 112 CO 0.17 0.05 0.19 -0.54 0.00 0.00 0.00 174.94 174.82 1ajw s LYS 113 N -2.62 1.38 0.27 2.79 1.02 -0.96 -1.30 119.74 120.33 1ajw s LYS 113 Ca 0.30 -1.97 -0.26 0.00 0.02 0.00 0.00 55.97 54.06 1ajw s LYS 113 Cb -0.12 -2.65 -0.09 0.00 -0.52 0.00 0.00 37.83 34.45 1ajw s LYS 113 CO 0.23 -1.08 0.90 0.42 -0.92 0.00 0.00 175.35 174.89 1ajw s ILE 114 N 0.51 4.23 -0.05 2.17 -1.09 -1.13 -2.49 121.20 123.35 1ajw s ILE 114 Ca 0.15 1.82 0.06 0.00 -2.23 0.00 0.00 60.65 60.45 1ajw s ILE 114 Cb -0.23 -4.10 -0.01 0.00 -1.58 0.00 0.00 42.46 36.54 1ajw s ILE 114 CO -0.05 0.30 -0.22 -0.44 -1.23 0.00 0.00 174.94 173.29 1ajw s SER 115 N -1.44 2.75 -0.10 3.58 0.01 -0.33 -1.07 113.70 117.11 1ajw s SER 115 Ca 0.45 -0.45 -0.18 0.00 1.31 0.00 0.00 55.95 57.07 1ajw s SER 115 Cb -0.21 -0.70 0.04 0.00 0.21 0.00 0.00 66.02 65.37 1ajw s SER 115 CO 0.26 0.22 0.45 0.72 0.41 0.00 0.00 173.24 175.30 1ajw s PHE 116 N -0.16 -0.42 -0.11 2.43 -0.71 -1.19 0.19 117.98 118.00 1ajw s PHE 116 Ca -0.02 0.88 -0.21 0.00 -1.04 0.00 0.00 56.93 56.54 1ajw s PHE 116 Cb -0.12 0.19 -0.03 0.00 -1.21 0.00 0.00 43.02 41.84 1ajw s PHE 116 CO 0.03 -0.36 0.63 1.03 -1.34 0.00 0.00 175.22 175.20 1ajw s ARG 117 N -0.57 4.35 -0.58 1.99 0.52 -1.20 -1.02 118.95 122.45 1ajw s ARG 117 Ca -0.07 0.71 0.04 0.00 -0.52 0.00 0.00 55.73 55.89 1ajw s ARG 117 Cb -0.03 -3.48 0.15 0.00 0.52 0.00 0.00 34.95 32.11 1ajw s ARG 117 CO 0.04 0.01 0.36 0.08 0.02 0.00 0.00 175.30 175.80 1ajw s VAL 118 N 1.06 2.32 -0.37 3.52 1.01 -1.21 -3.76 120.40 122.97 1ajw s VAL 118 Ca 0.32 -3.55 0.12 0.00 0.00 0.00 0.00 61.98 58.88 1ajw s VAL 118 Cb -0.17 -2.57 0.44 0.00 0.00 0.00 0.00 36.38 34.09 1ajw s VAL 118 CO 0.14 -0.94 1.05 -3.20 0.00 0.00 0.00 175.10 172.14 1ajw n ASN 119 N 2.67 3.14 0.07 3.32 2.85 -1.19 -4.01 115.26 122.11 1ajw n ASN 119 Ca 0.14 -3.19 0.00 0.00 -0.11 0.00 0.00 54.58 51.42 1ajw n ASN 119 Cb 0.35 -0.48 0.00 0.00 1.24 0.00 0.00 39.78 40.89 1ajw n ASN 119 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 1ajw n ARG 120 N -0.32 0.00 -4.32 1.20 3.00 -1.26 -4.92 116.66 110.04 1ajw n ARG 120 Ca 0.25 0.00 -0.17 0.00 -0.00 0.00 0.00 57.85 57.93 1ajw n ARG 120 Cb 0.75 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 33.11 1ajw n ARG 120 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1ajw s GLU 121 N -1.37 1.38 -0.52 -0.14 2.02 -1.26 -4.80 118.70 114.02 1ajw s GLU 121 Ca 0.00 -1.74 -0.28 0.00 0.02 0.00 0.00 54.97 52.97 1ajw s GLU 121 Cb 0.00 -0.34 0.03 0.00 0.10 0.00 0.00 34.13 33.92 1ajw s GLU 121 CO 0.00 -0.25 1.15 0.42 0.02 0.00 0.00 175.26 176.60 1ajw s ILE 122 N -3.68 4.14 -1.03 -1.63 1.01 -1.26 -4.20 121.20 114.55 1ajw s ILE 122 Ca 0.35 1.06 -0.17 0.00 0.00 0.00 0.00 60.65 61.89 1ajw s ILE 122 Cb 0.08 -4.65 0.14 0.00 0.01 0.00 0.00 42.46 38.04 1ajw s ILE 122 CO 0.12 -1.15 1.24 -0.69 0.00 0.00 0.00 174.94 174.47 1ajw s VAL 123 N 4.63 4.82 -0.99 2.92 1.01 -1.11 -4.95 120.40 126.74 1ajw s VAL 123 Ca 0.45 -1.94 -0.19 0.00 0.00 0.00 0.00 61.98 60.31 1ajw s VAL 123 Cb -0.07 -4.83 0.12 0.00 0.00 0.00 0.00 36.38 31.60 1ajw s VAL 123 CO 0.29 -1.55 1.22 -0.94 0.00 0.00 0.00 175.10 174.12 1ajw s SER 124 N 3.38 6.68 0.00 3.32 1.04 -1.26 -3.13 113.70 123.72 1ajw s SER 124 Ca 0.36 -2.10 0.00 0.00 0.48 0.00 0.00 55.95 54.69 1ajw s SER 124 Cb -0.04 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 63.66 1ajw s SER 124 CO -0.06 -1.08 0.00 0.61 0.98 0.00 0.00 173.24 173.69 1ajw n GLY 125 N 5.49 0.10 3.66 7.32 0.00 -1.26 -4.77 105.19 115.73 1ajw n GLY 125 Ca 0.27 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.87 1ajw n GLY 125 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ajw s MET 126 N 0.00 4.28 -0.02 1.61 0.00 -1.18 0.11 119.30 124.09 1ajw s MET 126 Ca 0.00 1.28 0.04 0.00 0.00 0.00 0.00 55.69 57.01 1ajw s MET 126 Cb 0.00 -3.62 -0.00 0.00 0.00 0.00 0.00 34.83 31.20 1ajw s MET 126 CO 0.00 -0.55 -0.13 0.21 0.00 0.00 0.00 175.02 174.55 1ajw s LYS 127 N 2.90 1.23 -0.07 4.11 2.20 0.42 -0.00 119.74 130.52 1ajw s LYS 127 Ca 0.43 -0.46 0.01 0.00 -0.36 0.00 0.00 55.97 55.60 1ajw s LYS 127 Cb -0.16 -1.14 -0.03 0.00 -1.51 0.00 0.00 37.83 35.00 1ajw s LYS 127 CO 0.08 0.22 -0.09 -0.47 -0.36 0.00 0.00 175.35 174.73 1ajw s TYR 128 N -0.06 2.87 0.01 4.03 5.04 0.98 -1.98 117.35 128.24 1ajw s TYR 128 Ca 0.00 -0.08 0.01 0.00 -2.44 0.00 0.00 57.07 54.57 1ajw s TYR 128 Cb -0.08 -1.71 -0.01 0.00 0.35 0.00 0.00 41.96 40.51 1ajw s TYR 128 CO 0.00 0.25 -0.05 0.42 -1.34 0.00 0.00 175.55 174.83 1ajw s ILE 129 N -0.67 0.39 0.01 3.14 1.01 -1.18 0.11 121.20 123.99 1ajw s ILE 129 Ca 0.10 -0.56 0.00 0.00 0.00 0.00 0.00 60.65 60.19 1ajw s ILE 129 Cb -0.11 -0.40 -0.01 0.00 0.01 0.00 0.00 42.46 41.95 1ajw s ILE 129 CO 0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 174.94 174.81 1ajw s GLN 130 N -0.75 0.17 -0.22 2.79 -2.07 -0.26 0.10 119.66 119.43 1ajw s GLN 130 Ca -0.04 -0.28 -0.00 0.00 -1.82 0.00 0.00 55.36 53.21 1ajw s GLN 130 Cb -0.05 -0.00 0.02 0.00 -1.09 0.00 0.00 33.01 31.89 1ajw s GLN 130 CO -0.00 -0.01 -0.12 -1.01 -1.32 0.00 0.00 175.29 172.83 1ajw s HIS 131 N -0.63 2.97 -1.04 9.60 3.76 -0.05 -0.49 115.29 129.41 1ajw s HIS 131 Ca -0.06 -1.62 -0.24 0.00 -0.15 0.00 0.00 55.06 52.99 1ajw s HIS 131 Cb -0.04 -2.00 -0.14 0.00 1.11 0.00 0.00 32.58 31.51 1ajw s HIS 131 CO -0.00 -0.76 1.94 2.41 -0.85 0.00 0.00 174.74 177.48 1ajw n THR 132 N 4.63 1.54 -2.51 1.30 -1.04 0.25 -0.10 114.28 118.35 1ajw n THR 132 Ca -0.18 -1.55 -0.42 0.00 -2.04 0.00 0.00 64.05 59.85 1ajw n THR 132 Cb 0.48 -2.16 -0.03 0.00 -1.82 0.00 0.00 70.33 66.80 1ajw n THR 132 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1ajw s TYR 133 N 10.68 3.30 -0.17 -1.42 1.51 0.29 -2.29 117.35 129.25 1ajw s TYR 133 Ca 0.68 1.32 0.01 0.00 -1.01 0.00 0.00 57.07 58.07 1ajw s TYR 133 Cb 0.02 -3.36 0.02 0.00 -0.11 0.00 0.00 41.96 38.53 1ajw s TYR 133 CO 0.15 -1.04 -0.19 0.50 -1.11 0.00 0.00 175.55 173.86 1ajw s ARG 134 N 2.00 2.88 -1.49 -0.62 6.06 0.11 -1.27 118.95 126.62 1ajw s ARG 134 Ca 0.55 -0.79 -0.12 0.00 -2.50 0.00 0.00 55.73 52.86 1ajw s ARG 134 Cb -0.24 -2.47 0.08 0.00 0.06 0.00 0.00 34.95 32.38 1ajw s ARG 134 CO 0.22 -0.18 0.84 1.63 -2.50 0.00 0.00 175.30 175.31 1ajw n LYS 135 N 4.55 -4.96 -2.56 5.12 4.76 -1.26 -0.91 118.16 122.90 1ajw n LYS 135 Ca -0.20 0.60 -0.08 0.00 -2.87 0.00 0.00 58.31 55.75 1ajw n LYS 135 Cb 0.50 -5.45 0.01 0.00 -1.84 0.00 0.00 35.03 28.26 1ajw n LYS 135 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ajw n GLY 136 N -1.56 0.26 2.80 0.72 0.00 -1.26 -5.02 105.19 101.12 1ajw n GLY 136 Ca 0.02 -0.44 -0.16 0.00 0.00 0.00 0.00 46.02 45.44 1ajw n GLY 136 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ajw s VAL 137 N -2.79 -0.41 0.16 1.61 1.01 -0.09 -5.12 120.40 114.77 1ajw s VAL 137 Ca 0.12 -0.14 -0.31 0.00 0.00 0.00 0.00 61.98 61.65 1ajw s VAL 137 Cb -0.05 -0.75 -0.10 0.00 0.00 0.00 0.00 36.38 35.48 1ajw s VAL 137 CO 0.15 -0.21 1.64 -1.59 0.00 0.00 0.00 175.10 175.09 1ajw s LYS 138 N 2.39 4.18 -0.02 2.72 -2.85 -1.26 -0.71 119.74 124.19 1ajw s LYS 138 Ca 0.09 2.44 0.05 0.00 -1.00 0.00 0.00 55.97 57.54 1ajw s LYS 138 Cb -0.15 -3.23 -0.07 0.00 -2.06 0.00 0.00 37.83 32.31 1ajw s LYS 138 CO -0.15 -0.68 0.07 0.44 0.10 0.00 0.00 175.35 175.13 1ajw n ILE 139 N 4.15 0.12 -3.65 3.79 -5.35 -0.97 -4.91 119.36 112.54 1ajw n ILE 139 Ca 0.15 -0.14 -0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1ajw n ILE 139 Cb 0.38 -0.11 -0.06 0.00 -1.74 0.00 0.00 39.64 38.11 1ajw n ILE 139 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 1ajw s ASP 140 N -2.95 -0.21 0.09 7.28 1.01 -1.26 -5.00 116.67 115.63 1ajw s ASP 140 Ca -0.02 0.34 0.07 0.00 0.71 0.00 0.00 52.55 53.66 1ajw s ASP 140 Cb 0.02 0.92 -0.03 0.00 1.01 0.00 0.00 42.92 44.85 1ajw s ASP 140 CO 0.20 -0.06 -0.19 -1.59 0.21 0.00 0.00 175.17 173.74 1ajw s LYS 141 N 0.92 1.02 0.14 8.23 -2.85 -1.26 0.84 119.74 126.78 1ajw s LYS 141 Ca -0.05 -1.09 0.07 0.00 -1.00 0.00 0.00 55.97 53.89 1ajw s LYS 141 Cb -0.03 -1.21 -0.04 0.00 -2.06 0.00 0.00 37.83 34.49 1ajw s LYS 141 CO -0.12 0.28 -0.16 0.99 0.10 0.00 0.00 175.35 176.44 1ajw s THR 142 N -1.20 1.53 -0.13 3.79 2.01 0.35 -4.94 115.64 117.06 1ajw s THR 142 Ca 0.04 -1.80 0.00 0.00 0.31 0.00 0.00 61.69 60.24 1ajw s THR 142 Cb -0.10 -1.67 0.02 0.00 0.01 0.00 0.00 72.50 70.76 1ajw s THR 142 CO 0.04 -0.37 -0.13 1.51 -0.69 0.00 0.00 174.62 174.97 1ajw s ASP 143 N -2.54 2.48 0.03 3.53 -4.77 -1.26 -1.10 116.67 113.03 1ajw s ASP 143 Ca 0.12 -0.42 0.04 0.00 -3.30 0.00 0.00 52.55 48.98 1ajw s ASP 143 Cb -0.05 -1.07 -0.04 0.00 -1.09 0.00 0.00 42.92 40.68 1ajw s ASP 143 CO 0.04 -0.05 -0.06 -0.31 0.70 0.00 0.00 175.17 175.49 1ajw s TYR 144 N 1.41 2.88 -0.27 2.11 2.02 0.29 -4.94 117.35 120.85 1ajw s TYR 144 Ca 0.02 -0.06 -0.18 0.00 -0.37 0.00 0.00 57.07 56.48 1ajw s TYR 144 Cb -0.13 -1.57 -0.02 0.00 -0.40 0.00 0.00 41.96 39.83 1ajw s TYR 144 CO -0.08 0.39 0.53 -1.64 -1.57 0.00 0.00 175.55 173.19 1ajw s MET 145 N -1.63 4.02 -0.13 -0.62 -1.94 -1.26 -0.01 119.30 117.72 1ajw s MET 145 Ca 0.19 0.30 -0.22 0.00 -1.71 0.00 0.00 55.69 54.24 1ajw s MET 145 Cb -0.11 -3.67 -0.20 0.00 2.01 0.00 0.00 34.83 32.86 1ajw s MET 145 CO 0.10 -0.40 0.61 0.28 -0.01 0.00 0.00 175.02 175.59 1ajw h VAL 146 N 5.43 1.35 0.00 -6.03 2.07 -0.78 -3.48 116.25 114.82 1ajw h VAL 146 Ca -0.28 -1.98 0.00 0.00 0.82 0.00 0.00 66.70 65.26 1ajw h VAL 146 Cb 1.14 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 33.44 1ajw h VAL 146 CO 0.73 0.45 0.00 0.61 0.02 0.00 0.00 177.57 179.38 1ajw n GLY 147 N 1.59 1.74 3.86 2.17 0.00 -1.13 -4.96 105.19 108.47 1ajw n GLY 147 Ca -0.08 -2.08 -0.37 0.00 0.00 0.00 0.00 46.02 43.49 1ajw n GLY 147 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ajw s SER 148 N 0.00 6.44 -0.05 1.61 0.15 -1.26 -3.12 113.70 117.47 1ajw s SER 148 Ca 0.00 0.53 -0.02 0.00 0.70 0.00 0.00 55.95 57.16 1ajw s SER 148 Cb 0.00 -2.10 0.04 0.00 -1.71 0.00 0.00 66.02 62.25 1ajw s SER 148 CO 0.00 0.38 0.10 -0.31 1.20 0.00 0.00 173.24 174.62 1ajw s TYR 149 N -0.95 -0.08 0.48 3.44 2.02 -1.19 -4.98 117.35 116.09 1ajw s TYR 149 Ca 0.16 0.38 -0.01 0.00 -0.37 0.00 0.00 57.07 57.23 1ajw s TYR 149 Cb -0.13 -0.21 0.00 0.00 -0.40 0.00 0.00 41.96 41.22 1ajw s TYR 149 CO 0.05 -0.17 0.71 0.20 -1.57 0.00 0.00 175.55 174.77 1ajw s GLY 150 N 1.48 1.59 -0.86 0.71 0.00 -1.26 -2.73 107.32 106.25 1ajw s GLY 150 Ca -0.05 -1.02 -0.25 0.00 0.00 0.00 0.00 44.72 43.40 1ajw s GLY 150 CO -0.05 -0.83 1.75 2.56 0.00 0.00 0.00 173.10 176.54 1ajw s PRO 151 N -4.63 2.87 0.00 2.90 0.04 -1.26 -3.97 135.00 130.95 1ajw s PRO 151 Ca 0.50 -0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.24 1ajw s PRO 151 Cb -0.10 -4.91 0.00 0.00 0.04 0.00 0.00 34.50 29.53 1ajw s PRO 151 CO 0.39 -2.87 0.00 -2.13 0.04 0.00 0.00 177.00 172.43 1ajw n ARG 152 N 8.98 0.00 -0.54 4.56 3.00 -1.26 -4.91 116.66 126.49 1ajw n ARG 152 Ca 0.31 0.00 0.05 0.00 -0.00 0.00 0.00 57.85 58.21 1ajw n ARG 152 Cb 0.49 0.00 0.25 0.00 0.00 0.00 0.00 32.46 33.20 1ajw n ARG 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ajw n ALA 153 N -1.01 3.31 -0.81 5.13 0.00 -1.26 -5.03 120.51 120.85 1ajw n ALA 153 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 53.44 52.27 1ajw n ALA 153 Cb 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1ajw n ALA 153 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ajw n GLU 154 N 0.42 0.00 -1.96 0.00 1.02 -1.26 -4.65 120.64 114.21 1ajw n GLU 154 Ca 0.17 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.97 1ajw n GLU 154 Cb 0.82 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 32.27 1ajw n GLU 154 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1ajw s GLU 155 N 0.00 2.98 0.34 3.49 -1.05 -1.26 -3.34 118.70 119.86 1ajw s GLU 155 Ca 0.00 1.56 0.01 0.00 -0.15 0.00 0.00 54.97 56.40 1ajw s GLU 155 Cb 0.00 -1.96 0.01 0.00 -0.44 0.00 0.00 34.13 31.74 1ajw s GLU 155 CO 0.00 -1.14 0.10 0.66 0.95 0.00 0.00 175.26 175.83 1ajw n TYR 156 N -1.90 0.13 -3.41 4.83 4.02 -0.19 -4.92 117.16 115.72 1ajw n TYR 156 Ca 0.12 -1.60 -0.16 0.00 -0.01 0.00 0.00 57.90 56.25 1ajw n TYR 156 Cb 0.51 -0.25 -0.10 0.00 -0.02 0.00 0.00 39.34 39.48 1ajw n TYR 156 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1ajw s GLU 157 N -3.30 0.30 0.77 -0.72 2.12 -1.26 -3.18 118.70 113.42 1ajw s GLU 157 Ca 0.08 0.07 -0.12 0.00 0.36 0.00 0.00 54.97 55.36 1ajw s GLU 157 Cb -0.01 -0.76 0.05 0.00 0.26 0.00 0.00 34.13 33.67 1ajw s GLU 157 CO 0.05 -0.87 1.11 0.12 -0.54 0.00 0.00 175.26 175.13 1ajw s PHE 158 N 2.39 3.03 -0.31 5.30 5.36 -0.23 -4.87 117.98 128.65 1ajw s PHE 158 Ca 0.09 1.03 0.00 0.00 -0.96 0.00 0.00 56.93 57.09 1ajw s PHE 158 Cb -0.15 -3.17 0.14 0.00 -0.34 0.00 0.00 43.02 39.50 1ajw s PHE 158 CO -0.25 -1.57 0.30 -1.17 -1.46 0.00 0.00 175.22 171.08 1ajw s LEU 159 N -5.59 -0.13 0.49 6.12 1.98 -1.26 -2.85 118.68 117.44 1ajw s LEU 159 Ca 0.60 -1.00 -0.21 0.00 -2.89 0.00 0.00 54.13 50.63 1ajw s LEU 159 Cb -0.12 0.46 -0.08 0.00 0.66 0.00 0.00 46.19 47.11 1ajw s LEU 159 CO 0.52 -0.36 1.08 0.42 -1.89 0.00 0.00 176.35 176.12 1ajw s THR 160 N 2.11 3.51 0.79 3.68 -4.23 -0.42 -4.90 115.64 116.18 1ajw s THR 160 Ca 0.11 0.98 -0.12 0.00 -1.18 0.00 0.00 61.69 61.48 1ajw s THR 160 Cb -0.15 -3.42 0.07 0.00 1.34 0.00 0.00 72.50 70.35 1ajw s THR 160 CO -0.26 -0.16 1.15 -2.16 -0.54 0.00 0.00 174.62 172.65 1ajw s PRO 161 N -3.11 1.88 -0.79 3.99 0.04 -1.26 -3.24 135.00 132.51 1ajw s PRO 161 Ca 0.68 1.50 -0.23 0.00 0.04 0.00 0.00 61.00 62.99 1ajw s PRO 161 Cb -0.21 -1.83 -0.18 0.00 0.04 0.00 0.00 34.50 32.33 1ajw s PRO 161 CO 0.24 -1.98 2.39 0.00 0.04 0.00 0.00 177.00 177.69 1ajw n MET 162 N -3.37 0.48 -1.88 4.56 0.00 -1.26 -4.39 117.12 111.26 1ajw n MET 162 Ca 0.11 -0.41 -0.29 0.00 0.00 0.00 0.00 57.70 57.11 1ajw n MET 162 Cb 0.52 -2.85 0.07 0.00 0.00 0.00 0.00 33.22 30.96 1ajw n MET 162 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 1ajw s GLU 163 N 8.39 2.32 -0.17 3.17 2.12 0.36 -4.52 118.70 130.36 1ajw s GLU 163 Ca 1.07 0.26 -0.01 0.00 0.36 0.00 0.00 54.97 56.65 1ajw s GLU 163 Cb -0.40 -1.98 -0.00 0.00 0.26 0.00 0.00 34.13 32.01 1ajw s GLU 163 CO 0.26 -1.38 -0.13 -1.83 -0.54 0.00 0.00 175.26 171.64 1ajw s GLU 164 N -5.48 3.23 1.05 4.30 -1.05 -1.26 0.32 118.70 119.81 1ajw s GLU 164 Ca 0.60 -0.73 -0.17 0.00 -0.15 0.00 0.00 54.97 54.53 1ajw s GLU 164 Cb -0.11 -2.72 0.23 0.00 -0.44 0.00 0.00 34.13 31.09 1ajw s GLU 164 CO 0.50 -0.07 1.22 0.00 0.95 0.00 0.00 175.26 177.86 1ajw s ALA 165 N 1.04 1.55 0.02 -0.84 0.00 -0.71 -4.94 121.76 117.89 1ajw s ALA 165 Ca -0.01 -1.03 -0.30 0.00 0.00 0.00 0.00 51.96 50.62 1ajw s ALA 165 Cb -0.15 -2.85 -0.05 0.00 0.00 0.00 0.00 23.12 20.08 1ajw s ALA 165 CO -0.03 -2.87 1.25 -1.25 0.00 0.00 0.00 175.76 172.86 1ajw s PRO 166 N -5.64 4.37 0.48 0.00 0.04 -1.26 -4.12 135.00 128.87 1ajw s PRO 166 Ca 0.72 1.80 0.05 0.00 0.04 0.00 0.00 61.00 63.61 1ajw s PRO 166 Cb -0.07 -3.44 -0.02 0.00 0.04 0.00 0.00 34.50 31.01 1ajw s PRO 166 CO 0.54 -0.39 0.16 -1.59 0.04 0.00 0.00 177.00 175.76 1ajw s LYS 167 N 1.65 2.19 0.00 4.56 -2.85 -1.26 0.20 119.74 124.22 1ajw s LYS 167 Ca 0.59 -2.11 0.00 0.00 -1.00 0.00 0.00 55.97 53.46 1ajw s LYS 167 Cb -0.29 -1.82 0.00 0.00 -2.06 0.00 0.00 37.83 33.66 1ajw s LYS 167 CO 0.27 -0.32 0.00 0.41 0.10 0.00 0.00 175.35 175.81 1ajw n GLY 168 N -1.35 3.12 0.15 0.59 0.00 -1.26 -4.34 105.19 102.10 1ajw n GLY 168 Ca -0.08 -1.89 -0.10 0.00 0.00 0.00 0.00 46.02 43.96 1ajw n GLY 168 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1ajw h MET 169 N 0.00 0.42 0.00 1.61 4.05 -1.99 -2.61 114.93 116.41 1ajw h MET 169 Ca 0.00 -0.06 -0.09 0.00 -0.28 0.00 0.00 59.70 59.27 1ajw h MET 169 Cb 0.00 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.71 1ajw h MET 169 CO 0.00 0.40 -0.45 1.25 0.23 0.00 0.00 176.91 178.34 1ajw h LEU 170 N 0.34 0.00 -2.64 3.39 6.46 -2.02 -3.03 115.31 117.80 1ajw h LEU 170 Ca 0.10 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.86 1ajw h LEU 170 Cb 0.12 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.04 1ajw h LEU 170 CO -0.01 0.45 0.11 0.00 -0.62 0.00 0.00 178.44 178.36 1ajw h ALA 171 N 1.55 1.18 -2.40 1.25 0.00 -1.66 -3.42 119.26 115.76 1ajw h ALA 171 Ca -0.00 -0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 1ajw h ALA 171 Cb 1.04 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.87 1ajw h ALA 171 CO 0.06 -0.11 1.07 0.54 0.00 0.00 0.00 179.25 180.80 1ajw n ARG 172 N -3.12 2.63 0.00 0.00 1.74 -1.15 -4.70 116.66 112.06 1ajw n ARG 172 Ca -0.02 0.96 0.00 0.00 -0.77 0.00 0.00 57.85 58.01 1ajw n ARG 172 Cb 0.17 -2.83 0.00 0.00 -1.02 0.00 0.00 32.46 28.79 1ajw n ARG 172 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ajw n GLY 173 N 4.14 0.69 3.75 -0.13 0.00 -1.19 -4.88 105.19 107.57 1ajw n GLY 173 Ca 0.18 -1.33 -0.40 0.00 0.00 0.00 0.00 46.02 44.48 1ajw n GLY 173 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ajw s SER 174 N 0.00 7.21 -0.37 1.61 1.04 -1.26 -0.73 113.70 121.20 1ajw s SER 174 Ca 0.00 1.44 -0.00 0.00 0.48 0.00 0.00 55.95 57.87 1ajw s SER 174 Cb 0.00 -2.47 0.10 0.00 0.10 0.00 0.00 66.02 63.75 1ajw s SER 174 CO 0.00 0.02 0.13 -0.31 0.98 0.00 0.00 173.24 174.06 1ajw s TYR 175 N -0.09 3.60 -0.07 5.02 1.51 -0.99 -4.73 117.35 121.61 1ajw s TYR 175 Ca 0.38 -2.53 -0.30 0.00 -1.01 0.00 0.00 57.07 53.61 1ajw s TYR 175 Cb -0.20 -2.97 -0.04 0.00 -0.11 0.00 0.00 41.96 38.63 1ajw s TYR 175 CO 0.23 -0.94 1.48 1.21 -1.11 0.00 0.00 175.55 176.41 1ajw s ASN 176 N 1.46 6.79 -0.18 2.29 3.84 -0.40 -1.92 114.94 126.83 1ajw s ASN 176 Ca 0.07 2.06 -0.04 0.00 0.21 0.00 0.00 52.86 55.16 1ajw s ASN 176 Cb -0.21 -2.54 -0.02 0.00 -0.55 0.00 0.00 41.25 37.92 1ajw s ASN 176 CO -0.05 -0.83 -0.04 -0.63 -2.79 0.00 0.00 177.10 172.76 1ajw s ILE 177 N 3.45 3.70 -0.88 -5.21 1.01 -0.29 0.10 121.20 123.10 1ajw s ILE 177 Ca 0.66 -0.41 -0.20 0.00 0.00 0.00 0.00 60.65 60.69 1ajw s ILE 177 Cb -0.30 -2.64 0.10 0.00 0.01 0.00 0.00 42.46 39.63 1ajw s ILE 177 CO 0.25 0.47 1.15 -0.75 0.00 0.00 0.00 174.94 176.05 1ajw s LYS 178 N 0.75 3.48 0.17 2.79 2.20 0.86 -3.15 119.74 126.83 1ajw s LYS 178 Ca -0.02 -1.41 -0.23 0.00 -0.36 0.00 0.00 55.97 53.95 1ajw s LYS 178 Cb -0.15 -4.82 -0.08 0.00 -1.51 0.00 0.00 37.83 31.28 1ajw s LYS 178 CO 0.02 -1.86 0.74 -1.54 -0.36 0.00 0.00 175.35 172.35 1ajw s SER 179 N 3.87 7.29 -0.40 1.43 1.04 -1.04 -0.87 113.70 125.01 1ajw s SER 179 Ca 0.32 1.56 0.03 0.00 0.48 0.00 0.00 55.95 58.34 1ajw s SER 179 Cb -0.07 -2.47 0.16 0.00 0.10 0.00 0.00 66.02 63.74 1ajw s SER 179 CO -0.05 0.18 0.30 -0.60 0.98 0.00 0.00 173.24 174.05 1ajw s ARG 180 N -1.32 0.86 -0.01 4.02 6.06 0.29 -2.19 118.95 126.65 1ajw s ARG 180 Ca 0.36 -1.90 -0.30 0.00 -2.50 0.00 0.00 55.73 51.39 1ajw s ARG 180 Cb -0.21 -1.49 -0.03 0.00 0.06 0.00 0.00 34.95 33.28 1ajw s ARG 180 CO 0.24 -1.32 1.06 0.12 -2.50 0.00 0.00 175.30 172.90 1ajw s PHE 181 N 0.34 3.54 0.00 5.12 2.19 0.30 -3.11 117.98 126.35 1ajw s PHE 181 Ca 0.27 1.54 0.00 0.00 0.33 0.00 0.00 56.93 59.08 1ajw s PHE 181 Cb -0.06 -3.23 0.00 0.00 -1.31 0.00 0.00 43.02 38.42 1ajw s PHE 181 CO -0.12 -0.46 0.00 -2.37 1.83 0.00 0.00 175.22 174.10 1ajw n THR 182 N 4.10 0.00 -2.64 0.12 5.66 -0.84 -0.85 114.28 119.83 1ajw n THR 182 Ca 0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.08 1ajw n THR 182 Cb 0.49 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.27 1ajw n THR 182 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1ajw n ASP 183 N -0.85 0.40 0.31 1.09 5.68 -1.26 -0.44 116.55 121.48 1ajw n ASP 183 Ca 0.00 -0.43 -0.17 0.00 -0.50 0.00 0.00 54.79 53.68 1ajw n ASP 183 Cb 0.00 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 39.89 1ajw n ASP 183 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1ajw h ASP 184 N 0.00 -1.02 0.00 -1.12 3.32 0.44 -3.40 116.42 114.64 1ajw h ASP 184 Ca 0.00 0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 1ajw h ASP 184 Cb 0.00 0.32 -0.05 0.00 0.22 0.00 0.00 39.33 39.82 1ajw h ASP 184 CO 0.00 -0.58 -0.11 0.47 -1.72 0.00 0.00 179.24 177.30 1ajw n ASP 185 N -5.51 -0.38 0.09 6.45 8.00 -1.26 -4.98 116.55 118.95 1ajw n ASP 185 Ca -0.12 -0.86 -0.18 0.00 0.71 0.00 0.00 54.79 54.34 1ajw n ASP 185 Cb 0.41 0.11 -0.14 0.00 -0.02 0.00 0.00 41.12 41.48 1ajw n ASP 185 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1ajw h ARG 186 N 0.00 0.31 0.00 -1.24 2.47 -1.97 -3.49 114.38 110.45 1ajw h ARG 186 Ca -0.22 -0.52 0.00 0.00 -1.26 0.00 0.00 59.98 57.98 1ajw h ARG 186 Cb 0.84 0.19 0.00 0.00 -1.65 0.00 0.00 29.97 29.36 1ajw h ARG 186 CO -0.11 1.21 0.00 -2.37 0.56 0.00 0.00 179.97 179.26 1ajw n THR 187 N -3.52 0.00 -3.93 2.04 5.66 -1.26 -5.11 114.28 108.16 1ajw n THR 187 Ca -0.14 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.51 1ajw n THR 187 Cb 1.05 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.69 1ajw n THR 187 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1ajw s ASP 188 N 1.04 4.73 -0.01 1.09 1.01 -1.26 -4.12 116.67 119.16 1ajw s ASP 188 Ca 0.00 -1.21 -0.24 0.00 0.71 0.00 0.00 52.55 51.82 1ajw s ASP 188 Cb 0.00 -1.69 -0.16 0.00 1.01 0.00 0.00 42.92 42.09 1ajw s ASP 188 CO 0.00 -0.23 1.11 0.45 0.21 0.00 0.00 175.17 176.72 1ajw h HIS 189 N 7.98 -0.37 -2.35 4.23 3.86 -1.80 -3.49 115.15 123.22 1ajw h HIS 189 Ca -0.23 -0.01 0.13 0.00 -1.16 0.00 0.00 60.37 59.10 1ajw h HIS 189 Cb 1.07 0.12 -0.12 0.00 1.06 0.00 0.00 27.41 29.54 1ajw h HIS 189 CO 0.61 -0.02 0.47 -1.17 0.86 0.00 0.00 177.93 178.69 1ajw s LEU 190 N -9.37 -0.30 -0.29 2.43 1.98 -0.03 -4.77 118.68 108.34 1ajw s LEU 190 Ca -0.14 -0.17 -0.20 0.00 -2.89 0.00 0.00 54.13 50.73 1ajw s LEU 190 Cb 0.02 2.11 0.13 0.00 0.66 0.00 0.00 46.19 49.11 1ajw s LEU 190 CO 0.51 -0.76 0.99 -0.94 -1.89 0.00 0.00 176.35 174.26 1ajw s SER 191 N -2.69 -0.50 0.00 3.68 1.04 -1.26 -0.54 113.70 113.43 1ajw s SER 191 Ca 0.08 0.88 0.00 0.00 0.48 0.00 0.00 55.95 57.38 1ajw s SER 191 Cb -0.01 1.06 0.00 0.00 0.10 0.00 0.00 66.02 67.17 1ajw s SER 191 CO -0.04 -0.14 0.00 -2.67 0.98 0.00 0.00 173.24 171.36 1ajw n TRP 192 N 3.03 0.00 -3.65 5.02 2.14 -0.93 -4.99 117.44 118.05 1ajw n TRP 192 Ca -0.16 0.00 -0.07 0.00 2.07 0.00 0.00 57.50 59.34 1ajw n TRP 192 Cb 0.57 0.00 -0.07 0.00 -0.81 0.00 0.00 31.31 30.99 1ajw n TRP 192 CO 0.00 0.00 0.00 -1.83 2.07 0.00 0.00 177.69 177.93 1ajw s GLU 193 N 1.48 0.60 0.03 -2.67 -1.05 -1.26 -2.51 118.70 113.32 1ajw s GLU 193 Ca 0.00 1.17 0.03 0.00 -0.15 0.00 0.00 54.97 56.01 1ajw s GLU 193 Cb 0.00 0.24 -0.02 0.00 -0.44 0.00 0.00 34.13 33.92 1ajw s GLU 193 CO 0.00 -0.17 -0.08 1.67 0.95 0.00 0.00 175.26 177.63 1ajw s TRP 194 N 1.87 0.72 -0.15 4.83 1.48 -1.19 -4.45 118.94 122.05 1ajw s TRP 194 Ca -0.09 -0.35 -0.08 0.00 -1.06 0.00 0.00 56.10 54.52 1ajw s TRP 194 Cb -0.07 -0.44 -0.04 0.00 -1.16 0.00 0.00 33.47 31.76 1ajw s TRP 194 CO -0.18 -0.04 0.14 -0.80 -4.06 0.00 0.00 176.95 172.01 1ajw s ASN 195 N -1.06 6.33 -0.47 -2.66 0.01 -1.26 -1.13 114.94 114.69 1ajw s ASN 195 Ca -0.04 0.38 -0.05 0.00 -0.71 0.00 0.00 52.86 52.44 1ajw s ASN 195 Cb -0.07 -2.08 0.12 0.00 0.41 0.00 0.00 41.25 39.63 1ajw s ASN 195 CO 0.00 0.32 0.30 -0.22 -1.51 0.00 0.00 177.10 175.99 1ajw s LEU 196 N -0.49 5.46 -0.11 0.60 2.96 -0.81 -2.68 118.68 123.61 1ajw s LEU 196 Ca 0.12 -2.11 -0.29 0.00 -0.22 0.00 0.00 54.13 51.63 1ajw s LEU 196 Cb -0.12 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 1ajw s LEU 196 CO 0.02 -0.58 1.35 -0.89 -1.32 0.00 0.00 176.35 174.93 1ajw s THR 197 N 1.05 4.08 0.23 3.68 2.01 -0.69 -2.33 115.64 123.67 1ajw s THR 197 Ca 0.09 1.34 -0.11 0.00 0.31 0.00 0.00 61.69 63.32 1ajw s THR 197 Cb -0.23 -3.86 -0.07 0.00 0.01 0.00 0.00 72.50 68.34 1ajw s THR 197 CO -0.03 -0.09 0.57 -0.63 -0.69 0.00 0.00 174.62 173.75 1ajw s ILE 198 N 3.36 4.90 0.00 1.82 -1.09 0.09 0.10 121.20 130.38 1ajw s ILE 198 Ca 0.59 0.55 0.00 0.00 -2.23 0.00 0.00 60.65 59.57 1ajw s ILE 198 Cb -0.25 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.00 1ajw s ILE 198 CO 0.20 -0.06 0.00 1.17 -1.23 0.00 0.00 174.94 175.02 1ajw n LYS 199 N -0.08 0.42 0.00 2.79 4.81 0.31 -3.15 118.16 123.26 1ajw n LYS 199 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1ajw n LYS 199 Cb 0.52 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.57 1ajw n LYS 199 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1ajw n LYS 200 N 0.00 0.57 -2.98 1.64 4.76 -1.26 -1.80 118.16 119.09 1ajw n LYS 200 Ca 0.00 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.35 1ajw n LYS 200 Cb 0.00 -0.99 -0.02 0.00 -1.84 0.00 0.00 35.03 32.17 1ajw n LYS 200 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1ajw s GLU 201 N -1.98 0.99 0.00 1.97 2.02 -1.26 -4.74 118.70 115.69 1ajw s GLU 201 Ca 0.00 -1.19 0.21 0.00 0.02 0.00 0.00 54.97 54.01 1ajw s GLU 201 Cb 0.00 -0.36 1.28 0.00 0.10 0.00 0.00 34.13 35.15 1ajw s GLU 201 CO 0.00 -1.32 1.82 -2.67 0.02 0.00 0.00 175.26 173.11 1ajw n TRP 202 N 3.16 0.00 -2.67 1.61 4.27 -1.26 -4.01 117.44 118.54 1ajw n TRP 202 Ca 0.19 0.00 -0.04 0.00 -3.89 0.00 0.00 57.50 53.76 1ajw n TRP 202 Cb 0.54 0.00 0.11 0.00 -1.36 0.00 0.00 31.31 30.60 1ajw n TRP 202 CO 0.00 0.00 0.00 1.17 -2.29 0.00 0.00 177.69 176.57 1ajw n LYS 203 N -0.84 1.14 0.00 -2.67 0.00 -1.26 -4.63 118.16 109.90 1ajw n LYS 203 Ca 0.16 -1.34 0.00 0.00 0.00 0.00 0.00 58.31 57.13 1ajw n LYS 203 Cb 0.07 0.19 0.00 0.00 0.00 0.00 0.00 35.03 35.30 1ajw n LYS 203 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93