#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t4q h PRO 2 N 0.00 -0.20 -5.64 0.00 0.11 -2.04 -3.38 132.00 120.84 1t4q h PRO 2 Ca 0.00 0.01 -0.67 0.00 0.11 0.00 0.00 66.00 65.46 1t4q h PRO 2 Cb 0.00 0.05 -0.25 0.00 0.11 0.00 0.00 31.00 30.90 1t4q h PRO 2 CO 0.00 -0.13 -0.76 0.54 -0.21 0.00 0.00 178.00 177.44 1t4q s VAL 3 N -4.84 3.13 -0.02 3.15 0.11 -1.26 -4.83 120.40 115.84 1t4q s VAL 3 Ca -0.10 -0.66 -0.18 0.00 -2.93 0.00 0.00 61.98 58.12 1t4q s VAL 3 Cb 0.06 -2.29 -0.05 0.00 -1.53 0.00 0.00 36.38 32.57 1t4q s VAL 3 CO 0.43 0.55 0.50 -0.13 -3.33 0.00 0.00 175.10 173.12 1t4q s ARG 4 N -0.01 4.18 0.14 1.54 0.52 -1.26 -4.98 118.95 119.07 1t4q s ARG 4 Ca -0.03 0.56 0.02 0.00 -0.52 0.00 0.00 55.73 55.76 1t4q s ARG 4 Cb -0.14 -3.31 -0.04 0.00 0.52 0.00 0.00 34.95 31.98 1t4q s ARG 4 CO 0.04 0.46 -0.04 -1.12 0.02 0.00 0.00 175.30 174.66 1t4q s SER 5 N -0.42 1.26 -0.05 0.23 0.01 -1.26 -1.71 113.70 111.76 1t4q s SER 5 Ca 0.27 -1.08 -0.12 0.00 1.31 0.00 0.00 55.95 56.33 1t4q s SER 5 Cb -0.17 0.09 0.02 0.00 0.21 0.00 0.00 66.02 66.17 1t4q s SER 5 CO 0.14 -0.49 0.28 -1.48 0.41 0.00 0.00 173.24 172.11 1t4q s LEU 6 N -3.12 0.95 0.08 2.44 0.05 -0.67 -4.96 118.68 113.45 1t4q s LEU 6 Ca 0.18 0.26 -0.16 0.00 0.05 0.00 0.00 54.13 54.45 1t4q s LEU 6 Cb 0.05 1.08 -0.07 0.00 -2.05 0.00 0.00 46.19 45.21 1t4q s LEU 6 CO -0.00 -0.29 0.52 0.20 -0.55 0.00 0.00 176.35 176.22 1t4q s ASN 7 N -0.72 6.91 0.24 1.48 0.01 -1.26 -0.88 114.94 120.73 1t4q s ASN 7 Ca -0.08 1.12 -0.21 0.00 -0.71 0.00 0.00 52.86 52.98 1t4q s ASN 7 Cb -0.04 -2.31 0.03 0.00 0.41 0.00 0.00 41.25 39.34 1t4q s ASN 7 CO 0.02 0.22 0.66 0.00 -1.51 0.00 0.00 177.10 176.50 1t4q s THR 9 N -3.88 2.09 0.08 0.00 -4.23 -0.27 -0.05 115.64 109.37 1t4q s THR 9 Ca 0.09 -2.25 0.06 0.00 -1.18 0.00 0.00 61.69 58.42 1t4q s THR 9 Cb -0.04 -2.13 -0.03 0.00 1.34 0.00 0.00 72.50 71.64 1t4q s THR 9 CO 0.02 -0.46 -0.17 -0.76 -0.54 0.00 0.00 174.62 172.71 1t4q s LEU 10 N -3.29 2.26 -0.01 4.79 1.43 -1.26 -1.43 118.68 121.18 1t4q s LEU 10 Ca 0.25 -0.61 0.01 0.00 -1.03 0.00 0.00 54.13 52.74 1t4q s LEU 10 Cb -0.03 -0.70 0.01 0.00 0.03 0.00 0.00 46.19 45.49 1t4q s LEU 10 CO 0.10 0.01 -0.01 -0.13 0.23 0.00 0.00 176.35 176.55 1t4q s ARG 11 N -1.67 0.18 0.95 1.70 0.52 -0.91 -4.12 118.95 115.60 1t4q s ARG 11 Ca 0.02 -0.03 -0.15 0.00 -0.52 0.00 0.00 55.73 55.06 1t4q s ARG 11 Cb -0.10 -0.23 0.17 0.00 0.52 0.00 0.00 34.95 35.32 1t4q s ARG 11 CO 0.03 -0.00 1.20 0.16 0.02 0.00 0.00 175.30 176.70 1t4q s ASP 12 N 0.23 3.16 0.11 0.23 1.47 -0.78 -0.92 116.67 120.17 1t4q s ASP 12 Ca -0.02 0.65 0.10 0.00 1.18 0.00 0.00 52.55 54.47 1t4q s ASP 12 Cb -0.04 -0.99 0.51 0.00 -0.34 0.00 0.00 42.92 42.06 1t4q s ASP 12 CO -0.01 -2.74 1.32 -1.54 0.68 0.00 0.00 175.17 172.88 1t4q n SER 13 N -3.84 0.21 -1.53 2.11 3.41 -0.06 -0.44 113.62 113.48 1t4q n SER 13 Ca 0.11 0.59 0.10 0.00 -0.26 0.00 0.00 58.87 59.41 1t4q n SER 13 Cb 0.60 -0.62 0.35 0.00 -0.26 0.00 0.00 64.21 64.28 1t4q n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t4q n GLN 14 N -1.77 3.40 -1.84 4.33 1.13 -1.26 -4.93 117.38 116.43 1t4q n GLN 14 Ca 0.00 -2.83 -0.14 0.00 -1.94 0.00 0.00 57.00 52.10 1t4q n GLN 14 Cb 0.06 -1.79 -0.03 0.00 0.11 0.00 0.00 30.24 28.59 1t4q n GLN 14 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1t4q n GLN 15 N 1.34 -1.03 -3.18 -1.09 1.13 0.41 -5.00 117.38 109.97 1t4q n GLN 15 Ca 0.26 0.82 -0.38 0.00 -1.94 0.00 0.00 57.00 55.76 1t4q n GLN 15 Cb 0.80 -5.00 -0.06 0.00 0.11 0.00 0.00 30.24 26.10 1t4q n GLN 15 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1t4q s LYS 16 N -3.93 4.28 0.38 -1.09 1.02 -1.25 -4.60 119.74 114.55 1t4q s LYS 16 Ca 0.00 0.84 0.02 0.00 0.02 0.00 0.00 55.97 56.85 1t4q s LYS 16 Cb 0.00 -3.15 -0.01 0.00 -0.52 0.00 0.00 37.83 34.15 1t4q s LYS 16 CO 0.00 0.56 0.57 -1.12 -0.92 0.00 0.00 175.35 174.45 1t4q s SER 17 N -1.28 6.01 -0.10 2.83 0.01 0.21 -1.86 113.70 119.52 1t4q s SER 17 Ca 0.34 0.20 -0.02 0.00 1.31 0.00 0.00 55.95 57.78 1t4q s SER 17 Cb -0.19 -1.61 -0.03 0.00 0.21 0.00 0.00 66.02 64.40 1t4q s SER 17 CO 0.21 -0.50 -0.02 -0.76 0.41 0.00 0.00 173.24 172.58 1t4q s LEU 18 N -4.37 3.43 0.06 2.44 1.43 -1.26 -1.29 118.68 119.12 1t4q s LEU 18 Ca 0.45 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.60 1t4q s LEU 18 Cb -0.10 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 1t4q s LEU 18 CO 0.35 0.32 -0.04 0.68 0.23 0.00 0.00 176.35 177.89 1t4q s VAL 19 N -0.55 0.36 0.00 -1.59 -7.23 -0.01 -0.83 120.40 110.55 1t4q s VAL 19 Ca 0.09 -1.67 -0.30 0.00 -1.81 0.00 0.00 61.98 58.29 1t4q s VAL 19 Cb -0.12 -1.33 -0.03 0.00 0.56 0.00 0.00 36.38 35.46 1t4q s VAL 19 CO 0.02 -0.85 1.01 -0.04 -0.31 0.00 0.00 175.10 174.93 1t4q s MET 20 N -3.39 4.54 0.00 4.82 -1.94 -1.26 -0.29 119.30 121.77 1t4q s MET 20 Ca 0.04 1.46 0.00 0.00 -1.71 0.00 0.00 55.69 55.48 1t4q s MET 20 Cb 0.03 -3.45 0.00 0.00 2.01 0.00 0.00 34.83 33.42 1t4q s MET 20 CO -0.07 -0.09 0.00 0.45 -0.01 0.00 0.00 175.02 175.30 1t4q n SER 21 N 3.96 0.00 -1.02 3.03 2.88 0.90 -4.86 113.62 118.51 1t4q n SER 21 Ca 0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 1t4q n SER 21 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1t4q n SER 21 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1t4q n GLY 22 N 2.92 1.15 0.22 0.46 0.00 -1.24 -4.94 105.19 103.75 1t4q n GLY 22 Ca 0.00 -1.86 0.13 0.00 0.00 0.00 0.00 46.02 44.29 1t4q n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1t4q h PRO 23 N 0.00 0.00 -0.29 1.61 0.13 -2.03 -3.32 132.00 128.10 1t4q h PRO 23 Ca 0.00 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.89 1t4q h PRO 23 Cb 0.00 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 30.87 1t4q h PRO 23 CO 0.00 0.00 -0.79 0.66 -0.23 0.00 0.00 178.00 177.64 1t4q n TYR 24 N -3.02 1.02 -3.75 1.56 4.01 -1.26 -5.02 117.16 110.71 1t4q n TYR 24 Ca 0.04 -1.63 -0.13 0.00 -0.16 0.00 0.00 57.90 56.01 1t4q n TYR 24 Cb 0.48 -0.26 -0.09 0.00 -0.31 0.00 0.00 39.34 39.16 1t4q n TYR 24 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1t4q s GLU 25 N -2.84 0.60 0.07 -0.72 2.12 -1.25 -4.12 118.70 112.55 1t4q s GLU 25 Ca 0.40 0.07 0.08 0.00 0.36 0.00 0.00 54.97 55.88 1t4q s GLU 25 Cb 0.38 0.27 -0.03 0.00 0.26 0.00 0.00 34.13 35.01 1t4q s GLU 25 CO -0.05 -0.14 -0.20 -0.51 -0.54 0.00 0.00 175.26 173.81 1t4q s LEU 26 N -0.79 2.54 0.13 2.70 1.43 -1.26 -0.07 118.68 123.35 1t4q s LEU 26 Ca -0.09 -0.52 0.05 0.00 -1.03 0.00 0.00 54.13 52.55 1t4q s LEU 26 Cb -0.04 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 1t4q s LEU 26 CO 0.03 0.23 -0.13 -0.54 0.23 0.00 0.00 176.35 176.17 1t4q s LYS 27 N -1.65 1.02 -0.07 1.70 1.02 0.60 -0.48 119.74 121.88 1t4q s LYS 27 Ca 0.15 -1.28 0.05 0.00 0.02 0.00 0.00 55.97 54.91 1t4q s LYS 27 Cb -0.10 -0.81 -0.01 0.00 -0.52 0.00 0.00 37.83 36.38 1t4q s LYS 27 CO 0.06 0.14 -0.23 0.00 -0.92 0.00 0.00 175.35 174.41 1t4q s ALA 28 N -2.41 2.27 0.06 5.17 0.00 -0.71 -0.83 121.76 125.30 1t4q s ALA 28 Ca 0.10 -1.02 -0.23 0.00 0.00 0.00 0.00 51.96 50.81 1t4q s ALA 28 Cb -0.03 -0.77 0.06 0.00 0.00 0.00 0.00 23.12 22.37 1t4q s ALA 28 CO 0.02 0.41 0.55 -0.48 0.00 0.00 0.00 175.76 176.26 1t4q s LEU 29 N -0.14 -0.21 -0.13 0.00 0.05 -0.41 -1.50 118.68 116.34 1t4q s LEU 29 Ca -0.04 0.20 -0.29 0.00 0.05 0.00 0.00 54.13 54.05 1t4q s LEU 29 Cb -0.14 2.24 -0.03 0.00 -2.05 0.00 0.00 46.19 46.21 1t4q s LEU 29 CO 0.04 -0.75 1.48 -1.00 -0.55 0.00 0.00 176.35 175.57 1t4q s HIS 30 N -2.54 2.37 0.09 3.48 3.76 -1.26 -0.62 115.29 120.58 1t4q s HIS 30 Ca -0.05 0.59 0.07 0.00 -0.15 0.00 0.00 55.06 55.52 1t4q s HIS 30 Cb -0.01 -3.75 -0.03 0.00 1.11 0.00 0.00 32.58 29.90 1t4q s HIS 30 CO -0.02 -2.79 -0.18 -1.17 -0.85 0.00 0.00 174.74 169.73 1t4q s LEU 31 N 3.96 2.30 0.05 0.89 2.96 -1.26 -4.94 118.68 122.64 1t4q s LEU 31 Ca 0.65 -0.68 -0.26 0.00 -0.22 0.00 0.00 54.13 53.62 1t4q s LEU 31 Cb -0.27 -0.71 0.07 0.00 0.50 0.00 0.00 46.19 45.77 1t4q s LEU 31 CO 0.23 -0.01 0.61 -1.58 -1.32 0.00 0.00 176.35 174.27 1t4q s GLN 32 N -1.94 1.13 5.50 1.98 0.74 -1.26 -4.90 119.66 120.92 1t4q s GLN 32 Ca 0.04 -0.13 0.00 0.00 0.05 0.00 0.00 55.36 55.31 1t4q s GLN 32 Cb -0.09 0.52 0.00 0.00 1.10 0.00 0.00 33.01 34.54 1t4q s GLN 32 CO 0.03 -0.42 0.00 0.41 -0.55 0.00 0.00 175.29 174.76 1t4q n GLY 33 N 0.31 2.15 0.25 2.59 0.00 -1.26 -3.63 105.19 105.60 1t4q n GLY 33 Ca -0.18 -0.53 0.02 0.00 0.00 0.00 0.00 46.02 45.33 1t4q n GLY 33 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1t4q h GLN 34 N 0.00 0.27 0.00 1.61 -0.00 -2.05 -0.90 115.11 114.03 1t4q h GLN 34 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.63 1t4q h GLN 34 Cb 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 27.48 27.42 1t4q h GLN 34 CO 0.00 0.18 0.00 -0.25 -0.00 0.00 0.00 178.83 178.76 1t4q n ASP 35 N -5.13 0.00 -0.33 0.06 8.00 -1.24 -2.53 116.55 115.38 1t4q n ASP 35 Ca 0.11 0.50 0.09 0.00 0.71 0.00 0.00 54.79 56.20 1t4q n ASP 35 Cb 0.37 -0.50 0.29 0.00 -0.02 0.00 0.00 41.12 41.26 1t4q n ASP 35 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1t4q h MET 36 N 0.00 0.86 0.00 -1.24 4.05 -1.34 -0.11 114.93 117.15 1t4q h MET 36 Ca 0.00 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1t4q h MET 36 Cb 0.01 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 30.61 1t4q h MET 36 CO 0.00 0.57 0.00 0.39 0.23 0.00 0.00 176.91 178.10 1t4q n GLU 37 N -4.62 0.07 0.22 0.39 4.71 -1.05 -1.21 120.64 119.15 1t4q n GLU 37 Ca 0.19 0.55 0.13 0.00 -0.01 0.00 0.00 57.16 58.02 1t4q n GLU 37 Cb 0.41 -1.72 0.31 0.00 -1.01 0.00 0.00 31.44 29.44 1t4q n GLU 37 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 1t4q h GLN 38 N 0.00 0.00 -7.03 3.49 4.20 -1.25 -3.46 115.11 111.06 1t4q h GLN 38 Ca 0.00 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.17 1t4q h GLN 38 Cb 0.02 0.00 0.12 0.00 0.30 0.00 0.00 27.48 27.92 1t4q h GLN 38 CO 0.00 0.00 0.60 1.14 -0.67 0.00 0.00 178.83 179.90 1t4q s GLN 39 N -3.30 3.35 0.27 1.46 -2.07 -0.35 -4.59 119.66 114.44 1t4q s GLN 39 Ca 0.06 2.19 -0.29 0.00 -1.82 0.00 0.00 55.36 55.49 1t4q s GLN 39 Cb 0.07 -2.36 -0.09 0.00 -1.09 0.00 0.00 33.01 29.53 1t4q s GLN 39 CO 0.63 -1.00 1.09 0.08 -1.32 0.00 0.00 175.29 174.76 1t4q s VAL 40 N -1.32 3.54 -0.19 3.63 1.01 -0.01 -4.98 120.40 122.07 1t4q s VAL 40 Ca 0.68 1.55 -0.04 0.00 0.00 0.00 0.00 61.98 64.17 1t4q s VAL 40 Cb -0.39 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 1t4q s VAL 40 CO 0.47 0.37 -0.03 -0.69 0.00 0.00 0.00 175.10 175.22 1t4q s VAL 41 N -1.14 3.75 0.21 2.92 1.01 -1.26 -4.65 120.40 121.23 1t4q s VAL 41 Ca 0.44 -0.39 -0.00 0.00 0.00 0.00 0.00 61.98 62.03 1t4q s VAL 41 Cb -0.31 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 1t4q s VAL 41 CO 0.40 0.45 0.39 -0.36 0.00 0.00 0.00 175.10 175.98 1t4q s PHE 42 N 0.91 3.48 -0.34 5.22 0.08 0.93 -0.97 117.98 127.29 1t4q s PHE 42 Ca 0.00 0.31 -0.01 0.00 0.12 0.00 0.00 56.93 57.35 1t4q s PHE 42 Cb -0.14 -1.83 0.08 0.00 -0.57 0.00 0.00 43.02 40.56 1t4q s PHE 42 CO 0.01 0.37 0.07 0.45 -0.10 0.00 0.00 175.22 176.03 1t4q s SER 43 N -3.28 4.97 -0.25 1.36 0.15 0.83 -1.14 113.70 116.35 1t4q s SER 43 Ca 0.38 -1.70 -0.19 0.00 0.70 0.00 0.00 55.95 55.14 1t4q s SER 43 Cb -0.11 -1.73 -0.02 0.00 -1.71 0.00 0.00 66.02 62.45 1t4q s SER 43 CO 0.29 -0.38 0.55 -0.32 1.20 0.00 0.00 173.24 174.59 1t4q s MET 44 N 1.14 4.09 -0.09 5.44 1.75 -0.06 -2.11 119.30 129.47 1t4q s MET 44 Ca 0.02 0.41 -0.02 0.00 -1.25 0.00 0.00 55.69 54.85 1t4q s MET 44 Cb -0.21 -3.64 -0.03 0.00 2.84 0.00 0.00 34.83 33.79 1t4q s MET 44 CO -0.04 -0.35 -0.00 -1.12 -0.65 0.00 0.00 175.02 172.86 1t4q s SER 45 N 1.48 5.19 -0.57 1.11 0.01 -0.36 -1.68 113.70 118.89 1t4q s SER 45 Ca 0.23 0.11 -0.19 0.00 1.31 0.00 0.00 55.95 57.42 1t4q s SER 45 Cb -0.16 -1.50 0.09 0.00 0.21 0.00 0.00 66.02 64.66 1t4q s SER 45 CO 0.09 0.35 0.68 -0.36 0.41 0.00 0.00 173.24 174.41 1t4q s PHE 46 N -0.73 3.01 0.60 2.43 0.40 -0.69 -0.60 117.98 122.40 1t4q s PHE 46 Ca 0.11 -0.85 0.07 0.00 -0.60 0.00 0.00 56.93 55.66 1t4q s PHE 46 Cb -0.12 -3.87 0.10 0.00 0.51 0.00 0.00 43.02 39.65 1t4q s PHE 46 CO 0.02 -1.22 0.82 1.33 0.70 0.00 0.00 175.22 176.88 1t4q n VAL 47 N 5.56 0.00 -2.69 -0.44 0.24 -1.17 -4.48 118.33 115.34 1t4q n VAL 47 Ca -0.09 -1.79 -0.36 0.00 -2.04 0.00 0.00 64.34 60.06 1t4q n VAL 47 Cb 0.43 -0.62 -0.06 0.00 -1.47 0.00 0.00 33.84 32.13 1t4q n VAL 47 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1t4q s GLN 48 N -4.66 4.34 0.00 7.34 -1.52 -0.13 -4.75 119.66 120.28 1t4q s GLN 48 Ca 0.60 1.36 0.00 0.00 -1.95 0.00 0.00 55.36 55.37 1t4q s GLN 48 Cb -0.04 -2.57 0.00 0.00 -0.22 0.00 0.00 33.01 30.17 1t4q s GLN 48 CO 0.39 0.05 0.00 0.41 -0.25 0.00 0.00 175.29 175.88 1t4q n GLY 49 N 0.23 1.00 3.70 3.09 0.00 -1.26 -4.84 105.19 107.11 1t4q n GLY 49 Ca 0.04 -1.24 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 1t4q n GLY 49 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1t4q n GLU 50 N -1.09 2.69 -4.31 1.61 0.00 -1.26 -4.90 120.64 113.38 1t4q n GLU 50 Ca 0.00 0.97 -0.25 0.00 0.00 0.00 0.00 57.16 57.88 1t4q n GLU 50 Cb 0.00 -2.83 -0.13 0.00 0.00 0.00 0.00 31.44 28.49 1t4q n GLU 50 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1t4q s GLU 51 N 1.80 1.20 0.25 5.31 2.12 -1.26 -4.41 118.70 123.72 1t4q s GLU 51 Ca 0.79 -1.23 0.00 0.00 0.36 0.00 0.00 54.97 54.89 1t4q s GLU 51 Cb -0.52 -1.51 -0.03 0.00 0.26 0.00 0.00 34.13 32.33 1t4q s GLU 51 CO 0.35 0.35 0.23 0.45 -0.54 0.00 0.00 175.26 176.10 1t4q s SER 52 N -2.01 0.61 0.56 -1.70 0.15 0.30 -4.98 113.70 106.64 1t4q s SER 52 Ca 0.09 -1.46 0.34 0.00 0.70 0.00 0.00 55.95 55.62 1t4q s SER 52 Cb -0.10 0.47 1.43 0.00 -1.71 0.00 0.00 66.02 66.11 1t4q s SER 52 CO 0.05 -0.96 2.01 -0.55 1.20 0.00 0.00 173.24 174.98 1t4q h ASN 53 N 2.41 0.00 0.00 5.45 7.08 -2.01 -3.13 115.58 125.38 1t4q h ASN 53 Ca -0.31 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.91 1t4q h ASN 53 Cb 1.24 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.48 1t4q h ASN 53 CO 0.46 0.01 0.00 -0.90 -2.08 0.00 0.00 177.43 174.91 1t4q n ASP 54 N -3.10 0.96 -3.82 6.14 5.75 -1.26 -4.97 116.55 116.24 1t4q n ASP 54 Ca 0.00 -1.18 -0.29 0.00 -0.01 0.00 0.00 54.79 53.32 1t4q n ASP 54 Cb 0.29 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 40.22 1t4q n ASP 54 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1t4q s LYS 55 N -0.18 1.06 -0.16 0.11 2.20 -1.18 -2.30 119.74 119.30 1t4q s LYS 55 Ca 0.00 -0.74 0.01 0.00 -0.36 0.00 0.00 55.97 54.88 1t4q s LYS 55 Cb 0.00 -2.31 0.01 0.00 -1.51 0.00 0.00 37.83 34.02 1t4q s LYS 55 CO 0.00 -0.67 -0.19 0.42 -0.36 0.00 0.00 175.35 174.56 1t4q s ILE 56 N 1.63 2.32 0.03 5.43 -1.09 -0.33 -0.54 121.20 128.64 1t4q s ILE 56 Ca -0.02 -0.88 -0.30 0.00 -2.23 0.00 0.00 60.65 57.22 1t4q s ILE 56 Cb -0.18 -1.96 -0.05 0.00 -1.58 0.00 0.00 42.46 38.69 1t4q s ILE 56 CO -0.09 0.53 1.15 -2.16 -1.23 0.00 0.00 174.94 173.14 1t4q s PRO 57 N 0.94 4.44 0.16 2.79 0.04 -1.26 0.07 135.00 142.18 1t4q s PRO 57 Ca -0.03 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.69 1t4q s PRO 57 Cb -0.15 -3.41 -0.04 0.00 0.04 0.00 0.00 34.50 30.94 1t4q s PRO 57 CO -0.04 -0.25 0.04 0.14 0.04 0.00 0.00 177.00 176.93 1t4q s VAL 58 N 1.27 0.35 0.03 -0.36 -7.23 0.78 -3.05 120.40 112.20 1t4q s VAL 58 Ca 0.57 -1.95 0.08 0.00 -1.81 0.00 0.00 61.98 58.87 1t4q s VAL 58 Cb -0.27 -2.14 -0.03 0.00 0.56 0.00 0.00 36.38 34.50 1t4q s VAL 58 CO 0.27 -0.41 -0.21 0.00 -0.31 0.00 0.00 175.10 174.44 1t4q s ALA 59 N -3.88 2.45 -0.27 1.32 0.00 0.23 -0.78 121.76 120.84 1t4q s ALA 59 Ca 0.26 -1.19 0.03 0.00 0.00 0.00 0.00 51.96 51.06 1t4q s ALA 59 Cb 0.07 -0.66 0.06 0.00 0.00 0.00 0.00 23.12 22.59 1t4q s ALA 59 CO 0.04 0.55 -0.09 -0.51 0.00 0.00 0.00 175.76 175.76 1t4q s LEU 60 N -1.23 3.50 0.36 0.00 1.43 -1.26 -1.23 118.68 120.24 1t4q s LEU 60 Ca 0.13 -1.45 0.09 0.00 -1.03 0.00 0.00 54.13 51.86 1t4q s LEU 60 Cb -0.10 -1.52 -0.06 0.00 0.03 0.00 0.00 46.19 44.53 1t4q s LEU 60 CO 0.03 -0.21 -0.02 -0.83 0.23 0.00 0.00 176.35 175.55 1t4q s GLY 61 N 1.11 2.20 0.04 -3.19 0.00 -0.89 -0.90 107.32 105.68 1t4q s GLY 61 Ca -0.07 -2.07 -0.21 0.00 0.00 0.00 0.00 44.72 42.37 1t4q s GLY 61 CO -0.05 -1.98 0.64 1.08 0.00 0.00 0.00 173.10 172.78 1t4q s LEU 62 N -3.69 4.47 0.11 0.66 1.02 -0.41 -0.12 118.68 120.73 1t4q s LEU 62 Ca 0.34 1.29 -0.34 0.00 0.02 0.00 0.00 54.13 55.44 1t4q s LEU 62 Cb 0.03 -3.01 -0.14 0.00 0.02 0.00 0.00 46.19 43.09 1t4q s LEU 62 CO 0.18 0.15 1.62 1.17 0.02 0.00 0.00 176.35 179.49 1t4q n LYS 63 N 2.33 2.12 -1.74 1.70 4.81 -0.14 -1.82 118.16 125.42 1t4q n LYS 63 Ca -0.07 0.77 -0.20 0.00 -0.87 0.00 0.00 58.31 57.93 1t4q n LYS 63 Cb 0.51 -2.55 -0.07 0.00 0.02 0.00 0.00 35.03 32.94 1t4q n LYS 63 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1t4q n GLU 64 N 3.96 -1.46 -4.20 1.64 1.02 -1.26 -4.98 120.64 115.36 1t4q n GLU 64 Ca 0.18 1.18 -0.17 0.00 -0.02 0.00 0.00 57.16 58.33 1t4q n GLU 64 Cb 0.29 -5.60 -0.15 0.00 -0.02 0.00 0.00 31.44 25.96 1t4q n GLU 64 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1t4q s LYS 65 N -3.96 0.58 -1.55 3.49 1.02 -0.76 -5.04 119.74 113.52 1t4q s LYS 65 Ca 0.00 -0.19 -0.10 0.00 0.02 0.00 0.00 55.97 55.70 1t4q s LYS 65 Cb 0.00 -0.58 -0.03 0.00 -0.52 0.00 0.00 37.83 36.70 1t4q s LYS 65 CO 0.00 0.08 2.73 0.27 -0.92 0.00 0.00 175.35 177.51 1t4q n ASN 66 N 3.23 7.80 -3.84 2.83 2.04 -1.26 -4.20 115.26 121.85 1t4q n ASN 66 Ca -0.17 -2.71 -0.20 0.00 -0.44 0.00 0.00 54.58 51.06 1t4q n ASN 66 Cb 0.56 -1.54 -0.17 0.00 -2.53 0.00 0.00 39.78 36.10 1t4q n ASN 66 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 1t4q s LEU 67 N 0.13 1.09 0.06 -4.53 1.43 -1.26 -2.29 118.68 113.32 1t4q s LEU 67 Ca 0.63 -0.10 0.06 0.00 -1.03 0.00 0.00 54.13 53.70 1t4q s LEU 67 Cb 0.17 -0.40 -0.03 0.00 0.03 0.00 0.00 46.19 45.96 1t4q s LEU 67 CO -0.07 -0.10 -0.18 -0.31 0.23 0.00 0.00 176.35 175.92 1t4q s TYR 68 N 1.23 1.52 0.05 0.29 2.02 -0.26 -1.29 117.35 120.92 1t4q s TYR 68 Ca -0.06 -0.39 -0.31 0.00 -0.37 0.00 0.00 57.07 55.94 1t4q s TYR 68 Cb -0.14 -0.88 -0.05 0.00 -0.40 0.00 0.00 41.96 40.49 1t4q s TYR 68 CO -0.02 0.10 1.20 -0.51 -1.57 0.00 0.00 175.55 174.75 1t4q s LEU 69 N -1.46 4.36 0.10 -1.29 1.43 -0.08 -0.58 118.68 121.17 1t4q s LEU 69 Ca 0.04 2.00 0.03 0.00 -1.03 0.00 0.00 54.13 55.17 1t4q s LEU 69 Cb -0.09 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.51 1t4q s LEU 69 CO 0.02 -0.48 -0.09 -0.55 0.23 0.00 0.00 176.35 175.49 1t4q s SER 70 N 1.10 1.38 -0.15 2.29 0.15 0.12 -4.60 113.70 113.98 1t4q s SER 70 Ca 0.58 -0.91 0.01 0.00 0.70 0.00 0.00 55.95 56.34 1t4q s SER 70 Cb -0.29 0.04 -0.00 0.00 -1.71 0.00 0.00 66.02 64.06 1t4q s SER 70 CO 0.29 -0.34 -0.16 0.00 1.20 0.00 0.00 173.24 174.22 1t4q s VAL 72 N 0.80 0.18 0.04 0.00 -7.23 -0.50 -4.74 120.40 108.95 1t4q s VAL 72 Ca -0.06 -1.46 -0.28 0.00 -1.81 0.00 0.00 61.98 58.37 1t4q s VAL 72 Cb -0.15 -1.11 -0.04 0.00 0.56 0.00 0.00 36.38 35.63 1t4q s VAL 72 CO -0.00 -0.80 0.91 -0.76 -0.31 0.00 0.00 175.10 174.13 1t4q s LEU 73 N -2.44 4.42 -0.13 1.32 1.43 -1.26 -0.04 118.68 121.98 1t4q s LEU 73 Ca -0.01 1.62 -0.04 0.00 -1.03 0.00 0.00 54.13 54.67 1t4q s LEU 73 Cb 0.02 -3.47 0.06 0.00 0.03 0.00 0.00 46.19 42.84 1t4q s LEU 73 CO -0.07 -0.14 0.16 -0.75 0.23 0.00 0.00 176.35 175.78 1t4q s LYS 74 N 0.48 0.08 -1.09 1.70 2.20 -0.46 -4.83 119.74 117.81 1t4q s LYS 74 Ca 0.47 0.32 -0.07 0.00 -0.36 0.00 0.00 55.97 56.32 1t4q s LYS 74 Cb -0.21 -0.88 0.01 0.00 -1.51 0.00 0.00 37.83 35.24 1t4q s LYS 74 CO 0.27 -0.48 0.95 -0.25 -0.36 0.00 0.00 175.35 175.48 1t4q n ASP 75 N 5.31 -5.35 -1.77 1.43 9.92 -1.26 -2.49 116.55 122.34 1t4q n ASP 75 Ca -0.05 -0.44 -0.18 0.00 -0.53 0.00 0.00 54.79 53.59 1t4q n ASP 75 Cb 0.50 -4.18 -0.03 0.00 -0.64 0.00 0.00 41.12 36.77 1t4q n ASP 75 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1t4q n ASP 76 N -2.19 -5.14 -3.81 -2.24 8.00 -1.26 -4.99 116.55 104.92 1t4q n ASP 76 Ca -0.01 0.15 -0.13 0.00 0.71 0.00 0.00 54.79 55.51 1t4q n ASP 76 Cb 0.55 -4.21 -0.14 0.00 -0.02 0.00 0.00 41.12 37.31 1t4q n ASP 76 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1t4q s LYS 77 N -4.37 0.07 0.24 -1.24 2.20 -1.04 -5.12 119.74 110.48 1t4q s LYS 77 Ca 0.00 0.19 -0.31 0.00 -0.36 0.00 0.00 55.97 55.49 1t4q s LYS 77 Cb 0.00 -0.05 -0.13 0.00 -1.51 0.00 0.00 37.83 36.14 1t4q s LYS 77 CO 0.00 -0.07 1.50 -2.30 -0.36 0.00 0.00 175.35 174.12 1t4q n PRO 78 N 3.50 2.29 -4.06 4.03 -0.02 -1.26 -1.36 135.00 138.12 1t4q n PRO 78 Ca -0.18 0.82 -0.14 0.00 -2.02 0.00 0.00 63.50 61.98 1t4q n PRO 78 Cb 0.56 -2.54 -0.13 0.00 -0.02 0.00 0.00 33.50 31.37 1t4q n PRO 78 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1t4q s THR 79 N 0.16 0.33 0.15 3.45 2.01 0.95 -4.85 115.64 117.84 1t4q s THR 79 Ca 0.69 -0.44 -0.21 0.00 0.31 0.00 0.00 61.69 62.03 1t4q s THR 79 Cb -0.60 -0.33 -0.08 0.00 0.01 0.00 0.00 72.50 71.50 1t4q s THR 79 CO 0.47 -0.08 0.69 -0.22 -0.69 0.00 0.00 174.62 174.79 1t4q s LEU 80 N -0.56 4.49 0.06 4.42 2.96 -1.26 -1.41 118.68 127.38 1t4q s LEU 80 Ca -0.03 1.43 -0.19 0.00 -0.22 0.00 0.00 54.13 55.13 1t4q s LEU 80 Cb -0.04 -3.26 0.04 0.00 0.50 0.00 0.00 46.19 43.43 1t4q s LEU 80 CO -0.00 0.17 0.44 0.00 -1.32 0.00 0.00 176.35 175.64 1t4q s GLN 81 N -1.42 0.97 -0.23 1.98 -2.07 -0.18 -4.92 119.66 113.79 1t4q s GLN 81 Ca 0.36 -0.38 -0.14 0.00 -1.82 0.00 0.00 55.36 53.38 1t4q s GLN 81 Cb -0.20 0.43 -0.04 0.00 -1.09 0.00 0.00 33.01 32.11 1t4q s GLN 81 CO 0.22 -0.34 0.30 -0.51 -1.32 0.00 0.00 175.29 173.64 1t4q s LEU 82 N -2.10 4.11 -0.04 2.60 2.01 -1.26 0.13 118.68 124.12 1t4q s LEU 82 Ca -0.04 0.30 0.05 0.00 0.01 0.00 0.00 54.13 54.45 1t4q s LEU 82 Cb -0.00 -2.33 -0.02 0.00 0.01 0.00 0.00 46.19 43.84 1t4q s LEU 82 CO -0.04 -0.05 -0.20 -0.70 1.01 0.00 0.00 176.35 176.38 1t4q s GLU 83 N 1.40 2.42 0.18 1.70 2.12 0.26 -4.90 118.70 121.88 1t4q s GLU 83 Ca 0.14 -0.80 -0.22 0.00 0.36 0.00 0.00 54.97 54.45 1t4q s GLU 83 Cb -0.15 -2.25 -0.08 0.00 0.26 0.00 0.00 34.13 31.92 1t4q s GLU 83 CO 0.07 0.55 0.73 -1.12 -0.54 0.00 0.00 175.26 174.95 1t4q s SER 84 N -0.56 7.19 0.18 -1.70 0.01 -1.26 -1.11 113.70 116.46 1t4q s SER 84 Ca 0.08 1.49 0.02 0.00 1.31 0.00 0.00 55.95 58.85 1t4q s SER 84 Cb -0.11 -2.45 -0.05 0.00 0.21 0.00 0.00 66.02 63.63 1t4q s SER 84 CO 0.01 0.13 0.01 0.68 0.41 0.00 0.00 173.24 174.48 1t4q s VAL 85 N -1.32 0.71 -0.09 3.43 -7.23 -0.97 -4.98 120.40 109.94 1t4q s VAL 85 Ca 0.38 -1.99 -0.29 0.00 -1.81 0.00 0.00 61.98 58.27 1t4q s VAL 85 Cb -0.20 -2.16 -0.06 0.00 0.56 0.00 0.00 36.38 34.52 1t4q s VAL 85 CO 0.23 -0.44 1.93 -0.62 -0.31 0.00 0.00 175.10 175.89 1t4q s ASP 86 N -3.19 6.20 0.38 4.85 -1.08 -1.26 -4.83 116.67 117.73 1t4q s ASP 86 Ca 0.25 2.22 0.23 0.00 -0.52 0.00 0.00 52.55 54.73 1t4q s ASP 86 Cb 0.06 -2.53 1.28 0.00 -1.46 0.00 0.00 42.92 40.27 1t4q s ASP 86 CO 0.05 -1.32 1.70 1.55 0.52 0.00 0.00 175.17 177.67 1t4q h PRO 87 N 11.68 0.00 0.00 4.34 0.13 -1.92 -2.23 132.00 144.00 1t4q h PRO 87 Ca -0.43 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.64 1t4q h PRO 87 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1t4q h PRO 87 CO 0.96 0.00 -1.28 1.17 -0.23 0.00 0.00 178.00 178.62 1t4q n LYS 88 N -2.35 0.62 0.00 0.86 3.00 -1.26 -4.27 118.16 114.76 1t4q n LYS 88 Ca -0.02 0.11 0.11 0.00 -0.00 0.00 0.00 58.31 58.52 1t4q n LYS 88 Cb 0.09 -1.78 0.07 0.00 0.00 0.00 0.00 35.03 33.42 1t4q n LYS 88 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1t4q n ASN 89 N -2.69 2.69 -4.26 3.14 3.02 -0.84 -4.97 115.26 111.35 1t4q n ASN 89 Ca -0.04 -1.85 -0.20 0.00 -0.03 0.00 0.00 54.58 52.46 1t4q n ASN 89 Cb 0.65 0.13 -0.12 0.00 -0.61 0.00 0.00 39.78 39.83 1t4q n ASN 89 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1t4q s TYR 90 N -2.07 1.55 0.85 3.10 1.51 -1.20 -4.34 117.35 116.75 1t4q s TYR 90 Ca 0.25 -0.49 -0.13 0.00 -1.01 0.00 0.00 57.07 55.69 1t4q s TYR 90 Cb 0.19 -0.82 0.12 0.00 -0.11 0.00 0.00 41.96 41.34 1t4q s TYR 90 CO 0.36 0.19 1.21 -1.25 -1.11 0.00 0.00 175.55 174.95 1t4q s PRO 91 N -2.36 1.51 0.02 -1.71 0.04 -1.26 -4.92 135.00 126.32 1t4q s PRO 91 Ca 0.08 -0.14 -0.11 0.00 0.04 0.00 0.00 61.00 60.86 1t4q s PRO 91 Cb -0.07 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.53 1t4q s PRO 91 CO 0.04 -1.85 0.24 -1.59 0.04 0.00 0.00 177.00 173.88 1t4q s LYS 92 N -5.65 0.69 0.25 4.56 -2.85 -1.26 -4.93 119.74 110.55 1t4q s LYS 92 Ca 0.66 -0.47 -0.04 0.00 -1.00 0.00 0.00 55.97 55.12 1t4q s LYS 92 Cb -0.08 0.29 0.40 0.00 -2.06 0.00 0.00 37.83 36.38 1t4q s LYS 92 CO 0.50 -0.20 1.84 0.87 0.10 0.00 0.00 175.35 178.46 1t4q h LYS 93 N 3.60 0.93 -3.70 1.78 1.57 -1.91 -3.31 116.57 115.53 1t4q h LYS 93 Ca -0.31 -0.06 -0.75 0.00 -1.87 0.00 0.00 60.65 57.67 1t4q h LYS 93 Cb 1.19 -0.21 -0.30 0.00 0.08 0.00 0.00 32.23 32.99 1t4q h LYS 93 CO 0.45 0.61 -0.11 0.21 -0.57 0.00 0.00 179.45 180.04 1t4q s LYS 94 N -6.03 3.14 0.32 3.15 2.47 -1.26 -0.96 119.74 120.56 1t4q s LYS 94 Ca -0.12 -2.52 -0.17 0.00 -1.56 0.00 0.00 55.97 51.60 1t4q s LYS 94 Cb 0.19 -4.11 -0.09 0.00 -1.46 0.00 0.00 37.83 32.37 1t4q s LYS 94 CO 0.79 -1.24 0.76 -1.64 0.16 0.00 0.00 175.35 174.19 1t4q s MET 95 N 0.01 4.08 0.62 4.03 -1.94 -1.25 -5.03 119.30 119.81 1t4q s MET 95 Ca 0.18 0.76 -0.19 0.00 -1.71 0.00 0.00 55.69 54.73 1t4q s MET 95 Cb -0.15 -2.49 -0.03 0.00 2.01 0.00 0.00 34.83 34.18 1t4q s MET 95 CO -0.06 0.18 1.18 0.39 -0.01 0.00 0.00 175.02 176.69 1t4q n GLU 96 N -0.20 1.11 -0.22 2.03 4.71 -1.26 -4.87 120.64 121.94 1t4q n GLU 96 Ca 0.03 0.43 0.12 0.00 -0.01 0.00 0.00 57.16 57.73 1t4q n GLU 96 Cb 0.53 -2.40 0.41 0.00 -1.01 0.00 0.00 31.44 28.97 1t4q n GLU 96 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 1t4q h LYS 97 N 0.63 0.61 0.00 3.49 1.63 -1.96 -1.77 116.57 119.20 1t4q h LYS 97 Ca -0.50 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.26 1t4q h LYS 97 Cb 1.34 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 32.84 1t4q h LYS 97 CO 0.53 0.40 -0.01 0.07 -3.45 0.00 0.00 179.45 176.99 1t4q h ARG 98 N 0.63 0.00 -0.01 1.90 0.11 -1.89 -1.61 114.38 113.51 1t4q h ARG 98 Ca 0.40 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.48 1t4q h ARG 98 Cb 0.66 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.74 1t4q h ARG 98 CO -0.16 0.01 -0.42 1.19 0.10 0.00 0.00 179.97 180.68 1t4q n PHE 99 N -3.16 0.00 -3.32 4.08 3.72 -0.67 -1.30 117.46 116.81 1t4q n PHE 99 Ca -0.02 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.00 1t4q n PHE 99 Cb 0.14 -0.13 -0.06 0.00 -0.94 0.00 0.00 39.48 38.49 1t4q n PHE 99 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1t4q s VAL 100 N -2.68 5.08 -0.02 -4.37 1.01 -0.61 -4.38 120.40 114.43 1t4q s VAL 100 Ca 0.18 1.01 0.06 0.00 0.00 0.00 0.00 61.98 63.24 1t4q s VAL 100 Cb 0.18 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 1t4q s VAL 100 CO 0.61 0.40 -0.21 0.26 0.00 0.00 0.00 175.10 176.16 1t4q s TRP 101 N 0.09 1.88 -0.42 5.22 0.52 0.04 -1.56 118.94 124.72 1t4q s TRP 101 Ca 0.27 -0.38 -0.21 0.00 0.02 0.00 0.00 56.10 55.79 1t4q s TRP 101 Cb -0.16 -1.22 0.02 0.00 -1.15 0.00 0.00 33.47 30.96 1t4q s TRP 101 CO 0.13 -0.05 0.68 -0.80 0.02 0.00 0.00 176.95 176.92 1t4q s ASN 102 N -0.43 6.37 -0.37 2.95 0.02 0.17 -0.15 114.94 123.49 1t4q s ASN 102 Ca 0.06 -0.18 -0.26 0.00 -1.02 0.00 0.00 52.86 51.47 1t4q s ASN 102 Cb -0.09 -2.34 0.02 0.00 0.02 0.00 0.00 41.25 38.86 1t4q s ASN 102 CO -0.00 -0.77 0.94 -0.75 0.02 0.00 0.00 177.10 176.53 1t4q s LYS 103 N 2.91 3.84 -0.16 -0.60 2.20 0.11 -1.45 119.74 126.57 1t4q s LYS 103 Ca 0.25 0.58 -0.04 0.00 -0.36 0.00 0.00 55.97 56.40 1t4q s LYS 103 Cb -0.14 -3.81 -0.02 0.00 -1.51 0.00 0.00 37.83 32.35 1t4q s LYS 103 CO 0.19 -0.97 -0.04 0.42 -0.36 0.00 0.00 175.35 174.59 1t4q s ILE 104 N 3.52 3.78 -0.28 5.43 1.01 -0.00 -1.19 121.20 133.46 1t4q s ILE 104 Ca 0.39 -0.39 -0.12 0.00 0.00 0.00 0.00 60.65 60.52 1t4q s ILE 104 Cb -0.12 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 1t4q s ILE 104 CO 0.19 0.48 0.25 -1.61 0.00 0.00 0.00 174.94 174.25 1t4q s GLU 105 N 0.53 3.92 0.00 2.79 2.02 -0.97 -1.13 118.70 125.85 1t4q s GLU 105 Ca -0.03 -0.26 0.00 0.00 0.02 0.00 0.00 54.97 54.70 1t4q s GLU 105 Cb -0.14 -3.68 0.00 0.00 0.10 0.00 0.00 34.13 30.41 1t4q s GLU 105 CO 0.03 -0.24 0.00 0.44 0.02 0.00 0.00 175.26 175.51 1t4q n ILE 106 N 5.08 0.00 0.00 -1.63 -5.35 -0.75 -4.97 119.36 111.75 1t4q n ILE 106 Ca -0.12 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.36 1t4q n ILE 106 Cb 0.51 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.41 1t4q n ILE 106 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1t4q n ASN 107 N 0.00 0.00 0.00 7.28 2.85 -1.26 -4.22 115.26 119.91 1t4q n ASN 107 Ca 0.00 0.14 0.00 0.00 -0.11 0.00 0.00 54.58 54.61 1t4q n ASN 107 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1t4q n ASN 107 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 1t4q n ASN 108 N -0.49 0.00 -4.99 1.20 0.23 -1.26 -5.11 115.26 104.84 1t4q n ASN 108 Ca 0.00 -1.00 -0.21 0.00 -0.53 0.00 0.00 54.58 52.84 1t4q n ASN 108 Cb 0.00 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 37.73 1t4q n ASN 108 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1t4q s LYS 109 N 0.00 2.39 0.05 -3.83 -0.14 -1.26 -4.91 119.74 112.05 1t4q s LYS 109 Ca 0.00 -1.65 0.07 0.00 -1.36 0.00 0.00 55.97 53.03 1t4q s LYS 109 Cb 0.00 -2.53 -0.03 0.00 -1.68 0.00 0.00 37.83 33.59 1t4q s LYS 109 CO 0.00 -0.67 -0.19 -0.51 -0.76 0.00 0.00 175.35 173.22 1t4q s LEU 110 N -4.50 2.19 0.07 3.17 1.43 0.16 -1.80 118.68 119.39 1t4q s LEU 110 Ca 0.54 -0.54 0.06 0.00 -1.03 0.00 0.00 54.13 53.16 1t4q s LEU 110 Cb -0.05 -0.89 -0.03 0.00 0.03 0.00 0.00 46.19 45.25 1t4q s LEU 110 CO 0.34 0.12 -0.17 -1.61 0.23 0.00 0.00 176.35 175.25 1t4q s GLU 111 N -1.29 1.03 -0.29 1.70 2.02 -0.29 -0.50 118.70 121.08 1t4q s GLU 111 Ca 0.06 -0.95 0.03 0.00 0.02 0.00 0.00 54.97 54.13 1t4q s GLU 111 Cb -0.09 -1.13 0.08 0.00 0.10 0.00 0.00 34.13 33.09 1t4q s GLU 111 CO 0.02 0.27 -0.03 -0.06 0.02 0.00 0.00 175.26 175.48 1t4q s PHE 112 N -1.04 3.17 -0.09 1.61 0.08 -1.26 -0.82 117.98 119.63 1t4q s PHE 112 Ca 0.03 -2.42 -0.12 0.00 0.12 0.00 0.00 56.93 54.54 1t4q s PHE 112 Cb -0.09 -2.21 -0.05 0.00 -0.57 0.00 0.00 43.02 40.10 1t4q s PHE 112 CO 0.02 -0.88 0.28 -2.00 -0.10 0.00 0.00 175.22 172.54 1t4q s GLU 113 N 1.12 3.85 0.20 0.44 2.12 -0.53 -1.70 118.70 124.20 1t4q s GLU 113 Ca 0.00 0.12 -0.31 0.00 0.36 0.00 0.00 54.97 55.14 1t4q s GLU 113 Cb -0.19 -3.27 -0.10 0.00 0.26 0.00 0.00 34.13 30.82 1t4q s GLU 113 CO -0.08 0.59 1.57 0.45 -0.54 0.00 0.00 175.26 177.26 1t4q s SER 114 N -0.62 6.54 0.20 -1.70 0.15 -0.08 0.41 113.70 118.61 1t4q s SER 114 Ca 0.18 2.70 -0.00 0.00 0.70 0.00 0.00 55.95 59.54 1t4q s SER 114 Cb -0.14 -2.60 0.15 0.00 -1.71 0.00 0.00 66.02 61.72 1t4q s SER 114 CO 0.07 -0.83 1.51 0.00 1.20 0.00 0.00 173.24 175.18 1t4q h ALA 115 N 6.24 0.73 -0.21 5.45 0.00 -1.56 -3.25 119.26 126.65 1t4q h ALA 115 Ca -0.44 -0.54 -0.12 0.00 0.00 0.00 0.00 54.91 53.81 1t4q h ALA 115 Cb 1.21 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1t4q h ALA 115 CO 0.88 0.72 -0.34 0.37 0.00 0.00 0.00 179.25 180.88 1t4q h GLN 116 N 0.30 0.61 -3.87 0.00 5.75 -1.77 -3.40 115.11 112.73 1t4q h GLN 116 Ca -0.01 -0.37 -0.66 0.00 -0.15 0.00 0.00 58.65 57.46 1t4q h GLN 116 Cb 1.15 0.04 -0.39 0.00 1.07 0.00 0.00 27.48 29.34 1t4q h GLN 116 CO 0.11 0.98 -0.59 -0.06 -2.65 0.00 0.00 178.83 176.62 1t4q s PHE 117 N -4.15 3.42 0.21 3.99 0.08 -1.23 -5.09 117.98 115.21 1t4q s PHE 117 Ca -0.13 -2.96 -0.31 0.00 0.12 0.00 0.00 56.93 53.65 1t4q s PHE 117 Cb 0.07 -2.97 -0.15 0.00 -0.57 0.00 0.00 43.02 39.40 1t4q s PHE 117 CO 0.82 -0.84 1.12 -2.30 -0.10 0.00 0.00 175.22 173.92 1t4q n PRO 118 N 3.63 1.24 -1.71 0.24 -0.02 -1.25 -2.21 135.00 134.92 1t4q n PRO 118 Ca 0.05 0.44 -0.14 0.00 -2.02 0.00 0.00 63.50 61.83 1t4q n PRO 118 Cb 0.37 -1.90 -0.04 0.00 -0.02 0.00 0.00 33.50 31.91 1t4q n PRO 118 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1t4q n ASN 119 N 1.81 -4.48 -4.30 2.55 5.03 -1.26 -5.01 115.26 109.60 1t4q n ASN 119 Ca 0.13 0.21 -0.33 0.00 0.87 0.00 0.00 54.58 55.46 1t4q n ASN 119 Cb 0.27 -3.35 -0.15 0.00 -1.02 0.00 0.00 39.78 35.52 1t4q n ASN 119 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 1t4q s TRP 120 N -2.57 2.77 0.17 3.10 0.52 -0.94 -4.42 118.94 117.57 1t4q s TRP 120 Ca 0.00 -0.88 0.09 0.00 0.02 0.00 0.00 56.10 55.34 1t4q s TRP 120 Cb 0.00 -1.85 -0.04 0.00 -1.15 0.00 0.00 33.47 30.42 1t4q s TRP 120 CO 0.00 -0.36 -0.21 0.71 0.02 0.00 0.00 176.95 177.11 1t4q s TYR 121 N 0.59 1.99 0.11 -1.98 2.02 0.13 -0.90 117.35 119.30 1t4q s TYR 121 Ca -0.09 -0.42 -0.31 0.00 -0.37 0.00 0.00 57.07 55.88 1t4q s TYR 121 Cb -0.16 -1.00 -0.08 0.00 -0.40 0.00 0.00 41.96 40.32 1t4q s TYR 121 CO 0.03 0.37 1.48 0.42 -1.57 0.00 0.00 175.55 176.29 1t4q s ILE 122 N -1.80 3.13 0.11 2.71 1.01 -0.69 -0.23 121.20 125.44 1t4q s ILE 122 Ca 0.16 0.75 0.01 0.00 0.00 0.00 0.00 60.65 61.57 1t4q s ILE 122 Cb -0.07 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 1t4q s ILE 122 CO 0.07 0.04 -0.04 -0.44 0.00 0.00 0.00 174.94 174.57 1t4q s SER 123 N 1.44 1.06 0.20 3.58 0.01 0.16 -4.59 113.70 115.56 1t4q s SER 123 Ca 0.68 -1.05 0.06 0.00 1.31 0.00 0.00 55.95 56.95 1t4q s SER 123 Cb -0.38 0.12 -0.05 0.00 0.21 0.00 0.00 66.02 65.91 1t4q s SER 123 CO 0.30 -0.51 -0.10 0.42 0.41 0.00 0.00 173.24 173.76 1t4q s THR 124 N -3.68 1.50 0.40 1.44 -4.23 -0.36 -1.35 115.64 109.37 1t4q s THR 124 Ca 0.14 -2.14 -0.01 0.00 -1.18 0.00 0.00 61.69 58.50 1t4q s THR 124 Cb 0.06 -2.09 -0.03 0.00 1.34 0.00 0.00 72.50 71.78 1t4q s THR 124 CO -0.03 -0.56 0.64 -0.55 -0.54 0.00 0.00 174.62 173.58 1t4q s SER 125 N -3.30 6.20 0.23 3.99 0.15 -1.26 -1.20 113.70 118.51 1t4q s SER 125 Ca 0.23 0.56 0.01 0.00 0.70 0.00 0.00 55.95 57.44 1t4q s SER 125 Cb 0.02 -2.01 0.24 0.00 -1.71 0.00 0.00 66.02 62.56 1t4q s SER 125 CO 0.06 -0.44 1.59 1.56 1.20 0.00 0.00 173.24 177.20 1t4q h GLN 126 N 0.54 0.45 -7.24 5.44 1.08 -1.97 -3.45 115.11 109.96 1t4q h GLN 126 Ca -0.48 -0.25 -0.52 0.00 -1.45 0.00 0.00 58.65 55.94 1t4q h GLN 126 Cb 1.22 0.02 0.16 0.00 -0.05 0.00 0.00 27.48 28.82 1t4q h GLN 126 CO 0.61 0.83 0.32 0.00 -0.95 0.00 0.00 178.83 179.64 1t4q s ALA 127 N -4.09 1.97 0.38 3.87 0.00 -1.26 -5.00 121.76 117.64 1t4q s ALA 127 Ca -0.06 0.62 -0.22 0.00 0.00 0.00 0.00 51.96 52.30 1t4q s ALA 127 Cb 0.12 -3.41 -0.10 0.00 0.00 0.00 0.00 23.12 19.73 1t4q s ALA 127 CO 0.81 -2.08 0.93 -2.00 0.00 0.00 0.00 175.76 173.42 1t4q s GLU 128 N -4.38 4.32 -1.44 0.00 2.56 -1.26 -4.25 118.70 114.25 1t4q s GLU 128 Ca 0.68 1.14 -0.10 0.00 0.00 0.00 0.00 54.97 56.69 1t4q s GLU 128 Cb -0.24 -2.40 0.06 0.00 2.00 0.00 0.00 34.13 33.56 1t4q s GLU 128 CO 0.51 0.09 0.70 -1.71 -0.56 0.00 0.00 175.26 174.29 1t4q n ASN 129 N -0.23 -4.65 -4.85 -1.70 5.15 -0.56 -4.99 115.26 103.43 1t4q n ASN 129 Ca 0.05 -0.51 -0.25 0.00 -0.60 0.00 0.00 54.58 53.27 1t4q n ASN 129 Cb 0.53 -3.77 -0.04 0.00 -0.53 0.00 0.00 39.78 35.97 1t4q n ASN 129 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1t4q s MET 130 N -6.17 3.08 0.61 1.20 -1.94 -1.23 -4.83 119.30 110.01 1t4q s MET 130 Ca 0.48 -0.82 -0.19 0.00 -1.71 0.00 0.00 55.69 53.45 1t4q s MET 130 Cb -0.24 -2.73 -0.03 0.00 2.01 0.00 0.00 34.83 33.84 1t4q s MET 130 CO 0.59 0.48 1.23 -2.14 -0.01 0.00 0.00 175.02 175.17 1t4q s PRO 131 N -3.32 2.87 0.24 2.03 0.02 -1.26 -1.74 135.00 133.84 1t4q s PRO 131 Ca 0.32 1.88 -0.28 0.00 0.02 0.00 0.00 61.00 62.95 1t4q s PRO 131 Cb -0.10 -1.91 -0.09 0.00 0.02 0.00 0.00 34.50 32.42 1t4q s PRO 131 CO 0.25 -1.30 0.90 0.08 -0.33 0.00 0.00 177.00 176.60 1t4q s VAL 132 N -1.55 4.18 0.32 3.83 1.01 0.37 -4.59 120.40 123.98 1t4q s VAL 132 Ca 0.79 1.92 0.02 0.00 0.00 0.00 0.00 61.98 64.71 1t4q s VAL 132 Cb -0.32 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 31.83 1t4q s VAL 132 CO 0.35 0.42 0.35 0.72 0.00 0.00 0.00 175.10 176.94 1t4q s PHE 133 N -1.27 1.37 -0.30 5.22 -0.71 -0.46 -4.79 117.98 117.04 1t4q s PHE 133 Ca 0.42 -1.46 -0.12 0.00 -1.04 0.00 0.00 56.93 54.73 1t4q s PHE 133 Cb -0.24 -0.42 -0.04 0.00 -1.21 0.00 0.00 43.02 41.12 1t4q s PHE 133 CO 0.29 -0.95 0.21 -1.17 -1.34 0.00 0.00 175.22 172.25 1t4q s LEU 134 N -3.28 4.20 0.06 -1.99 2.96 -1.26 0.37 118.68 119.74 1t4q s LEU 134 Ca 0.36 -0.18 0.06 0.00 -0.22 0.00 0.00 54.13 54.15 1t4q s LEU 134 Cb 0.02 -2.12 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 1t4q s LEU 134 CO 0.22 -0.12 -0.11 -0.83 -1.32 0.00 0.00 176.35 174.20 1t4q s GLY 135 N 1.74 1.73 -0.32 7.98 0.00 0.68 -4.86 107.32 114.27 1t4q s GLY 135 Ca 0.07 -1.16 0.10 0.00 0.00 0.00 0.00 44.72 43.72 1t4q s GLY 135 CO 0.11 -1.08 1.69 0.61 0.00 0.00 0.00 173.10 174.43 1t4q n GLY 136 N 1.16 4.17 3.07 0.20 0.00 -1.26 0.20 105.19 112.73 1t4q n GLY 136 Ca -0.15 -1.08 -0.12 0.00 0.00 0.00 0.00 46.02 44.68 1t4q n GLY 136 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t4q s THR 137 N -3.09 0.03 0.27 2.61 -4.23 -1.26 -4.88 115.64 105.09 1t4q s THR 137 Ca 0.51 -0.26 0.11 0.00 -1.18 0.00 0.00 61.69 60.87 1t4q s THR 137 Cb 0.43 -0.32 -0.05 0.00 1.34 0.00 0.00 72.50 73.90 1t4q s THR 137 CO 0.09 -0.14 -0.09 -0.54 -0.54 0.00 0.00 174.62 173.40 1t4q s LYS 138 N -0.46 2.02 -1.60 3.99 1.02 -1.26 -4.65 119.74 118.80 1t4q s LYS 138 Ca -0.05 -1.57 0.00 0.00 0.02 0.00 0.00 55.97 54.37 1t4q s LYS 138 Cb -0.04 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 35.29 1t4q s LYS 138 CO 0.01 0.35 0.00 0.41 -0.92 0.00 0.00 175.35 175.20 1t4q n GLY 139 N -0.75 -0.30 0.00 -3.33 0.00 -1.26 -4.95 105.19 94.60 1t4q n GLY 139 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1t4q n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t4q n GLY 140 N -0.90 3.10 0.17 -0.02 0.00 -1.26 -5.01 105.19 101.27 1t4q n GLY 140 Ca -0.21 -1.80 0.09 0.00 0.00 0.00 0.00 46.02 44.10 1t4q n GLY 140 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1t4q h GLN 141 N 0.00 0.00 -6.54 1.61 7.50 -1.94 -3.46 115.11 112.28 1t4q h GLN 141 Ca 0.00 0.00 -0.51 0.00 0.50 0.00 0.00 58.65 58.64 1t4q h GLN 141 Cb 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.53 1t4q h GLN 141 CO 0.00 0.14 -0.12 -0.51 -1.50 0.00 0.00 178.83 176.84 1t4q s ASP 142 N -6.07 6.42 -0.17 1.46 1.01 -1.26 -4.46 116.67 113.60 1t4q s ASP 142 Ca 0.04 0.72 -0.13 0.00 0.71 0.00 0.00 52.55 53.90 1t4q s ASP 142 Cb 0.07 -2.15 -0.05 0.00 1.01 0.00 0.00 42.92 41.80 1t4q s ASP 142 CO 0.72 -0.24 0.25 -0.63 0.21 0.00 0.00 175.17 175.48 1t4q s ILE 143 N -2.16 5.33 0.00 0.77 1.01 -0.34 -4.71 121.20 121.09 1t4q s ILE 143 Ca 0.44 0.46 0.00 0.00 0.00 0.00 0.00 60.65 61.55 1t4q s ILE 143 Cb -0.11 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.78 1t4q s ILE 143 CO 0.31 0.41 0.39 0.35 0.00 0.00 0.00 174.94 176.40 1t4q n THR 144 N 3.49 0.04 -4.22 2.92 -2.24 -1.26 -1.22 114.28 111.79 1t4q n THR 144 Ca -0.13 -0.38 -0.35 0.00 -2.27 0.00 0.00 64.05 60.91 1t4q n THR 144 Cb 0.52 1.24 -0.09 0.00 -2.10 0.00 0.00 70.33 69.90 1t4q n THR 144 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1t4q s ASP 145 N -0.04 5.54 0.21 3.42 -0.00 -1.26 -4.39 116.67 120.15 1t4q s ASP 145 Ca 0.00 0.21 0.01 0.00 -0.00 0.00 0.00 52.55 52.76 1t4q s ASP 145 Cb 0.00 -1.68 -0.05 0.00 -0.00 0.00 0.00 42.92 41.19 1t4q s ASP 145 CO 0.00 0.36 0.07 -0.36 -0.00 0.00 0.00 175.17 175.24 1t4q s PHE 146 N -0.73 1.31 0.18 4.23 0.40 0.34 -0.88 117.98 122.83 1t4q s PHE 146 Ca 0.12 -1.18 0.09 0.00 -0.60 0.00 0.00 56.93 55.36 1t4q s PHE 146 Cb -0.12 -0.74 -0.04 0.00 0.51 0.00 0.00 43.02 42.63 1t4q s PHE 146 CO 0.02 -0.38 -0.19 0.95 0.70 0.00 0.00 175.22 176.32 1t4q s THR 147 N -3.83 1.96 -0.01 0.64 -4.23 -0.10 0.35 115.64 110.42 1t4q s THR 147 Ca 0.33 -1.98 0.08 0.00 -1.18 0.00 0.00 61.69 58.94 1t4q s THR 147 Cb 0.07 -1.93 -0.02 0.00 1.34 0.00 0.00 72.50 71.96 1t4q s THR 147 CO 0.10 -0.29 -0.25 -0.32 -0.54 0.00 0.00 174.62 173.32 1t4q s MET 148 N -2.84 1.98 -0.12 3.99 1.75 -1.26 -2.14 119.30 120.66 1t4q s MET 148 Ca 0.18 -0.90 0.03 0.00 -1.25 0.00 0.00 55.69 53.75 1t4q s MET 148 Cb -0.06 -1.93 -0.00 0.00 2.84 0.00 0.00 34.83 35.68 1t4q s MET 148 CO 0.08 0.53 -0.21 -0.65 -0.65 0.00 0.00 175.02 174.11 1t4q s GLN 149 N -0.62 3.11 0.10 4.11 1.11 -0.51 -4.98 119.66 121.98 1t4q s GLN 149 Ca 0.10 -0.84 -0.25 0.00 0.01 0.00 0.00 55.36 54.38 1t4q s GLN 149 Cb -0.10 -2.40 -0.07 0.00 -1.01 0.00 0.00 33.01 29.44 1t4q s GLN 149 CO -0.01 0.13 0.76 -0.06 0.01 0.00 0.00 175.29 176.12 1t4q s PHE 150 N 0.48 3.82 -0.02 0.91 0.40 -1.26 -1.11 117.98 121.20 1t4q s PHE 150 Ca -0.14 1.54 0.04 0.00 -0.60 0.00 0.00 56.93 57.76 1t4q s PHE 150 Cb -0.17 -2.78 -0.03 0.00 0.51 0.00 0.00 43.02 40.55 1t4q s PHE 150 CO 0.06 0.40 -0.10 0.14 0.70 0.00 0.00 175.22 176.41 1t4q s VAL 151 N -0.62 3.37 0.18 -0.44 -7.23 -0.92 -4.95 120.40 109.79 1t4q s VAL 151 Ca 0.37 -0.78 0.01 0.00 -1.81 0.00 0.00 61.98 59.77 1t4q s VAL 151 Cb -0.22 -2.41 0.01 0.00 0.56 0.00 0.00 36.38 34.33 1t4q s VAL 151 CO 0.24 0.47 0.71 -1.54 -0.31 0.00 0.00 175.10 174.68 1t4q n SER 152 N 1.86 0.02 0.00 4.85 3.41 -1.26 -4.60 113.62 117.90 1t4q n SER 152 Ca -0.16 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1t4q n SER 152 Cb 0.52 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1t4q n SER 152 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64