#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h9s n GLU 2 N 0.00 0.32 -3.80 1.64 1.02 -1.26 -4.91 120.64 113.64 3h9s n GLU 2 Ca 0.00 0.13 -0.37 0.00 -0.02 0.00 0.00 57.16 56.90 3h9s n GLU 2 Cb 0.00 -1.06 -0.13 0.00 -0.02 0.00 0.00 31.44 30.23 3h9s n GLU 2 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3h9s s VAL 3 N -2.27 3.66 -0.21 2.62 1.01 -1.26 -2.33 120.40 121.62 3h9s s VAL 3 Ca -0.20 -0.94 -0.14 0.00 0.00 0.00 0.00 61.98 60.70 3h9s s VAL 3 Cb 0.08 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 3h9s s VAL 3 CO 0.27 0.00 0.34 -0.70 0.00 0.00 0.00 175.10 175.01 3h9s s GLU 4 N 1.42 4.15 -0.01 2.72 2.56 0.15 -4.50 118.70 125.19 3h9s s GLU 4 Ca 0.00 0.08 0.02 0.00 0.00 0.00 0.00 54.97 55.07 3h9s s GLU 4 Cb -0.18 -3.54 -0.01 0.00 2.00 0.00 0.00 34.13 32.41 3h9s s GLU 4 CO 0.01 -0.01 -0.08 -1.14 -0.56 0.00 0.00 175.26 173.48 3h9s s GLN 5 N 1.25 0.65 0.00 4.30 0.74 -1.26 0.02 119.66 125.36 3h9s s GLN 5 Ca 0.16 -0.28 0.00 0.00 0.05 0.00 0.00 55.36 55.29 3h9s s GLN 5 Cb -0.14 -0.63 0.00 0.00 1.10 0.00 0.00 33.01 33.34 3h9s s GLN 5 CO 0.07 0.17 0.00 -1.71 -0.55 0.00 0.00 175.29 173.27 3h9s n ASN 6 N 2.90 0.00 -0.03 6.67 4.05 -1.26 -4.89 115.26 122.71 3h9s n ASN 6 Ca -0.13 0.00 -0.15 0.00 0.45 0.00 0.00 54.58 54.75 3h9s n ASN 6 Cb 0.57 0.00 -0.11 0.00 1.23 0.00 0.00 39.78 41.47 3h9s n ASN 6 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 177.26 174.98 3h9s h SER 7 N 0.00 0.22 -4.41 1.20 4.64 -1.97 -3.35 113.55 109.88 3h9s h SER 7 Ca 0.00 -0.75 0.00 0.00 -0.47 0.00 0.00 61.79 60.57 3h9s h SER 7 Cb 0.00 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3h9s h SER 7 CO 0.00 0.94 0.00 0.61 -0.87 0.00 0.00 176.83 177.51 3h9s n GLY 8 N 0.97 -0.59 3.68 -0.77 0.00 -1.26 -4.41 105.19 102.80 3h9s n GLY 8 Ca -0.09 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 3h9s n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h9s s PRO 9 N -1.47 4.34 -0.16 1.61 0.04 -1.26 -4.96 135.00 133.14 3h9s s PRO 9 Ca 0.00 1.13 -0.24 0.00 0.04 0.00 0.00 61.00 61.93 3h9s s PRO 9 Cb 0.00 -3.56 -0.02 0.00 0.04 0.00 0.00 34.50 30.96 3h9s s PRO 9 CO 0.00 -0.31 0.77 -1.17 0.04 0.00 0.00 177.00 176.33 3h9s s LEU 10 N 2.06 4.19 -0.22 -3.56 2.96 -0.67 -4.98 118.68 118.45 3h9s s LEU 10 Ca 0.41 1.10 -0.05 0.00 -0.22 0.00 0.00 54.13 55.37 3h9s s LEU 10 Cb -0.17 -3.13 -0.02 0.00 0.50 0.00 0.00 46.19 43.37 3h9s s LEU 10 CO 0.14 -0.33 0.00 -0.55 -1.32 0.00 0.00 176.35 174.29 3h9s s SER 11 N 1.12 4.74 -0.00 3.68 0.15 -1.26 -1.60 113.70 120.53 3h9s s SER 11 Ca 0.36 -0.26 0.03 0.00 0.70 0.00 0.00 55.95 56.78 3h9s s SER 11 Cb -0.17 -1.82 -0.01 0.00 -1.71 0.00 0.00 66.02 62.31 3h9s s SER 11 CO 0.13 0.02 -0.10 0.68 1.20 0.00 0.00 173.24 175.17 3h9s s VAL 12 N 1.26 0.78 0.53 4.45 -7.23 -0.14 -4.99 120.40 115.07 3h9s s VAL 12 Ca 0.04 -0.47 -0.09 0.00 -1.81 0.00 0.00 61.98 59.65 3h9s s VAL 12 Cb -0.15 -0.66 -0.04 0.00 0.56 0.00 0.00 36.38 36.09 3h9s s VAL 12 CO 0.01 0.18 0.90 -2.16 -0.31 0.00 0.00 175.10 173.72 3h9s s PRO 13 N -0.33 3.60 0.25 4.82 0.04 -1.26 -1.22 135.00 140.90 3h9s s PRO 13 Ca 0.03 0.48 -0.30 0.00 0.04 0.00 0.00 61.00 61.26 3h9s s PRO 13 Cb -0.04 -2.24 -0.09 0.00 0.04 0.00 0.00 34.50 32.17 3h9s s PRO 13 CO -0.00 -0.35 1.16 -1.83 0.04 0.00 0.00 177.00 176.02 3h9s s GLU 14 N -4.82 4.55 0.00 4.56 -1.05 0.15 -2.02 118.70 120.08 3h9s s GLU 14 Ca 0.51 1.88 0.00 0.00 -0.15 0.00 0.00 54.97 57.21 3h9s s GLU 14 Cb -0.11 -3.20 0.00 0.00 -0.44 0.00 0.00 34.13 30.39 3h9s s GLU 14 CO 0.47 0.05 0.00 0.41 0.95 0.00 0.00 175.26 177.14 3h9s n GLY 15 N 1.53 3.17 3.85 -3.83 0.00 -0.99 -4.85 105.19 104.07 3h9s n GLY 15 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 3h9s n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h9s s ALA 16 N -2.84 2.71 -0.24 4.61 0.00 -0.85 -3.62 121.76 121.54 3h9s s ALA 16 Ca 0.00 -0.18 -0.22 0.00 0.00 0.00 0.00 51.96 51.56 3h9s s ALA 16 Cb 0.00 -3.09 -0.01 0.00 0.00 0.00 0.00 23.12 20.02 3h9s s ALA 16 CO 0.00 -1.24 0.73 0.42 0.00 0.00 0.00 175.76 175.67 3h9s s ILE 17 N -3.21 4.92 -0.09 0.00 1.01 -1.26 -2.57 121.20 119.99 3h9s s ILE 17 Ca 0.58 1.35 -0.18 0.00 0.00 0.00 0.00 60.65 62.40 3h9s s ILE 17 Cb -0.12 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.28 3h9s s ILE 17 CO 0.53 -0.01 0.50 0.00 0.00 0.00 0.00 174.94 175.97 3h9s s ALA 18 N 2.57 3.49 -0.23 9.38 0.00 -0.94 -4.96 121.76 131.06 3h9s s ALA 18 Ca 0.31 -0.14 -0.00 0.00 0.00 0.00 0.00 51.96 52.12 3h9s s ALA 18 Cb -0.15 -2.66 0.07 0.00 0.00 0.00 0.00 23.12 20.37 3h9s s ALA 18 CO 0.08 0.06 -0.00 0.45 0.00 0.00 0.00 175.76 176.35 3h9s s SER 19 N 0.39 3.60 -0.24 0.00 0.15 -1.26 -0.83 113.70 115.51 3h9s s SER 19 Ca 0.27 -1.15 -0.09 0.00 0.70 0.00 0.00 55.95 55.69 3h9s s SER 19 Cb -0.16 -0.97 -0.04 0.00 -1.71 0.00 0.00 66.02 63.14 3h9s s SER 19 CO 0.12 -0.28 0.11 -0.76 1.20 0.00 0.00 173.24 173.62 3h9s s LEU 20 N 1.55 3.77 0.24 3.45 1.43 -0.47 -4.98 118.68 123.67 3h9s s LEU 20 Ca -0.02 -0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.06 3h9s s LEU 20 Cb -0.18 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 3h9s s LEU 20 CO -0.09 0.03 0.41 0.20 0.23 0.00 0.00 176.35 177.13 3h9s s ASN 21 N 1.23 6.34 -0.18 2.29 -0.87 -1.26 -1.44 114.94 121.04 3h9s s ASN 21 Ca 0.06 0.29 -0.10 0.00 -1.57 0.00 0.00 52.86 51.54 3h9s s ASN 21 Cb -0.14 -1.96 0.06 0.00 -0.02 0.00 0.00 41.25 39.19 3h9s s ASN 21 CO 0.05 -0.10 0.44 0.00 -2.57 0.00 0.00 177.10 174.91 3h9s s THR 23 N 1.41 2.95 0.26 0.00 2.01 0.10 -0.79 115.64 121.57 3h9s s THR 23 Ca -0.09 -1.01 0.03 0.00 0.31 0.00 0.00 61.69 60.93 3h9s s THR 23 Cb -0.08 -2.22 -0.05 0.00 0.01 0.00 0.00 72.50 70.16 3h9s s THR 23 CO -0.13 0.42 0.02 -0.72 -0.69 0.00 0.00 174.62 173.52 3h9s s TYR 24 N -0.87 1.67 0.00 4.92 1.13 -1.02 0.35 117.35 123.52 3h9s s TYR 24 Ca 0.14 -0.96 0.00 0.00 -1.41 0.00 0.00 57.07 54.84 3h9s s TYR 24 Cb -0.11 -1.01 0.00 0.00 -1.10 0.00 0.00 41.96 39.75 3h9s s TYR 24 CO 0.04 -0.06 0.24 -1.13 -2.51 0.00 0.00 175.55 172.13 3h9s n SER 25 N -0.50 0.47 -4.60 -0.18 3.41 -0.98 -4.85 113.62 106.38 3h9s n SER 25 Ca -0.04 -0.77 -0.42 0.00 -0.26 0.00 0.00 58.87 57.39 3h9s n SER 25 Cb 0.65 0.28 -0.05 0.00 -0.26 0.00 0.00 64.21 64.82 3h9s n SER 25 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3h9s s ASP 26 N -0.28 6.62 0.51 4.04 -1.08 -1.26 -4.94 116.67 120.29 3h9s s ASP 26 Ca 0.00 0.55 0.23 0.00 -0.52 0.00 0.00 52.55 52.81 3h9s s ASP 26 Cb 0.00 -2.40 1.32 0.00 -1.46 0.00 0.00 42.92 40.37 3h9s s ASP 26 CO 0.00 -0.66 1.98 0.03 0.52 0.00 0.00 175.17 177.04 3h9s h ARG 27 N 8.26 0.09 -0.72 4.34 3.08 -1.98 -2.75 114.38 124.70 3h9s h ARG 27 Ca -0.24 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.80 3h9s h ARG 27 Cb 1.10 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.12 3h9s h ARG 27 CO 0.90 0.06 0.00 0.41 -1.07 0.00 0.00 179.97 180.27 3h9s n GLY 28 N -1.62 2.24 3.77 0.04 0.00 -1.26 -4.95 105.19 103.42 3h9s n GLY 28 Ca 0.11 -0.54 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 3h9s n GLY 28 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h9s s SER 29 N -0.52 6.30 0.00 1.61 0.01 -1.04 -4.69 113.70 115.37 3h9s s SER 29 Ca 0.32 2.23 0.00 0.00 1.31 0.00 0.00 55.95 59.81 3h9s s SER 29 Cb 0.24 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.87 3h9s s SER 29 CO 0.11 -0.82 0.00 0.00 0.41 0.00 0.00 173.24 172.93 3h9s n GLN 30 N -0.43 3.13 -4.36 12.44 6.02 0.82 -4.94 117.38 130.06 3h9s n GLN 30 Ca 0.07 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.85 3h9s n GLN 30 Cb 0.49 -0.26 -0.16 0.00 1.02 0.00 0.00 30.24 31.33 3h9s n GLN 30 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3h9s s SER 31 N 0.00 1.19 -0.04 1.08 0.01 -0.65 -4.79 113.70 110.49 3h9s s SER 31 Ca 0.00 -0.18 0.02 0.00 1.31 0.00 0.00 55.95 57.10 3h9s s SER 31 Cb 0.00 -0.39 0.01 0.00 0.21 0.00 0.00 66.02 65.85 3h9s s SER 31 CO 0.00 0.04 -0.10 -0.36 0.41 0.00 0.00 173.24 173.23 3h9s s PHE 32 N 0.37 1.14 0.04 2.43 0.08 -0.91 -0.15 117.98 120.98 3h9s s PHE 32 Ca -0.06 -0.34 0.02 0.00 0.12 0.00 0.00 56.93 56.67 3h9s s PHE 32 Cb -0.10 -0.83 -0.02 0.00 -0.57 0.00 0.00 43.02 41.49 3h9s s PHE 32 CO 0.01 -0.17 -0.07 -0.06 -0.10 0.00 0.00 175.22 174.83 3h9s s PHE 33 N 0.43 0.58 -0.12 0.36 0.08 0.13 -0.81 117.98 118.63 3h9s s PHE 33 Ca -0.08 -0.52 0.03 0.00 0.12 0.00 0.00 56.93 56.48 3h9s s PHE 33 Cb -0.12 -0.36 0.00 0.00 -0.57 0.00 0.00 43.02 41.98 3h9s s PHE 33 CO 0.02 -0.11 -0.22 -1.58 -0.10 0.00 0.00 175.22 173.22 3h9s s TRP 34 N -1.47 2.62 0.12 0.36 0.52 0.80 -0.84 118.94 121.06 3h9s s TRP 34 Ca -0.11 -1.10 0.08 0.00 0.02 0.00 0.00 56.10 54.99 3h9s s TRP 34 Cb -0.10 -1.76 -0.04 0.00 -1.15 0.00 0.00 33.47 30.43 3h9s s TRP 34 CO -0.00 -0.46 -0.13 0.71 0.02 0.00 0.00 176.95 177.09 3h9s s TYR 35 N 0.50 2.65 -0.10 -1.98 1.51 0.12 -1.52 117.35 118.52 3h9s s TYR 35 Ca -0.14 -0.20 0.03 0.00 -1.01 0.00 0.00 57.07 55.75 3h9s s TYR 35 Cb -0.17 -1.38 -0.00 0.00 -0.11 0.00 0.00 41.96 40.30 3h9s s TYR 35 CO 0.05 0.43 -0.22 0.50 -1.11 0.00 0.00 175.55 175.20 3h9s s ARG 36 N -2.31 3.09 -0.19 -0.62 3.52 0.96 -0.44 118.95 122.96 3h9s s ARG 36 Ca 0.21 -0.85 -0.00 0.00 -0.13 0.00 0.00 55.73 54.96 3h9s s ARG 36 Cb -0.10 -2.35 0.05 0.00 -1.56 0.00 0.00 34.95 30.98 3h9s s ARG 36 CO 0.13 0.19 -0.04 -1.14 -0.81 0.00 0.00 175.30 173.63 3h9s s GLN 37 N 0.33 1.39 0.33 5.12 0.74 0.63 -0.66 119.66 127.53 3h9s s GLN 37 Ca -0.17 -0.63 -0.25 0.00 0.05 0.00 0.00 55.36 54.36 3h9s s GLN 37 Cb -0.18 -2.18 -0.10 0.00 1.10 0.00 0.00 33.01 31.66 3h9s s GLN 37 CO 0.08 -0.50 0.92 0.71 -0.55 0.00 0.00 175.29 175.95 3h9s s TYR 38 N 1.60 3.63 0.01 1.67 2.02 -1.26 -1.61 117.35 123.41 3h9s s TYR 38 Ca -0.01 1.71 -0.30 0.00 -0.37 0.00 0.00 57.07 58.10 3h9s s TYR 38 Cb -0.16 -2.88 -0.09 0.00 -0.40 0.00 0.00 41.96 38.43 3h9s s TYR 38 CO -0.07 0.18 2.01 0.45 -1.57 0.00 0.00 175.55 176.54 3h9s s SER 39 N -1.70 6.33 0.00 2.29 0.15 -1.26 -1.03 113.70 118.47 3h9s s SER 39 Ca 0.51 2.60 0.00 0.00 0.70 0.00 0.00 55.95 59.76 3h9s s SER 39 Cb -0.17 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 3h9s s SER 39 CO 0.22 -1.16 0.00 0.61 1.20 0.00 0.00 173.24 174.11 3h9s n GLY 40 N 4.69 0.16 3.73 9.45 0.00 -1.26 -5.06 105.19 116.90 3h9s n GLY 40 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 3h9s n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h9s s LYS 41 N -0.98 2.17 0.27 1.61 -0.14 -0.20 -5.14 119.74 117.32 3h9s s LYS 41 Ca 0.00 -2.39 -0.04 0.00 -1.36 0.00 0.00 55.97 52.18 3h9s s LYS 41 Cb 0.00 -1.35 -0.05 0.00 -1.68 0.00 0.00 37.83 34.75 3h9s s LYS 41 CO 0.00 -0.41 0.52 -1.54 -0.76 0.00 0.00 175.35 173.15 3h9s s SER 42 N -3.84 6.44 0.08 2.83 1.04 -1.26 -4.67 113.70 114.32 3h9s s SER 42 Ca 0.07 0.65 -0.31 0.00 0.48 0.00 0.00 55.95 56.84 3h9s s SER 42 Cb 0.01 -2.12 -0.09 0.00 0.10 0.00 0.00 66.02 63.92 3h9s s SER 42 CO 0.04 -0.15 1.75 -2.84 0.98 0.00 0.00 173.24 173.02 3h9s s PRO 43 N -3.45 4.17 -0.12 4.02 0.02 -1.26 -4.57 135.00 133.80 3h9s s PRO 43 Ca 0.43 2.46 -0.04 0.00 0.02 0.00 0.00 61.00 63.87 3h9s s PRO 43 Cb -0.11 -3.66 -0.03 0.00 0.02 0.00 0.00 34.50 30.72 3h9s s PRO 43 CO 0.29 -0.80 0.02 -2.00 -0.33 0.00 0.00 177.00 174.18 3h9s s GLU 44 N 2.88 3.33 0.14 5.54 2.12 0.17 -4.90 118.70 127.99 3h9s s GLU 44 Ca 0.78 -0.38 -0.30 0.00 0.36 0.00 0.00 54.97 55.43 3h9s s GLU 44 Cb -0.42 -2.94 -0.07 0.00 0.26 0.00 0.00 34.13 30.96 3h9s s GLU 44 CO 0.35 0.56 1.07 -1.17 -0.54 0.00 0.00 175.26 175.52 3h9s s LEU 45 N -0.47 4.48 0.00 2.70 2.96 -1.26 -0.03 118.68 127.06 3h9s s LEU 45 Ca 0.09 1.99 0.00 0.00 -0.22 0.00 0.00 54.13 55.98 3h9s s LEU 45 Cb -0.12 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.97 3h9s s LEU 45 CO 0.02 -0.20 0.00 2.30 -1.32 0.00 0.00 176.35 177.15 3h9s n ILE 46 N 2.69 0.00 -3.70 6.68 -5.35 -0.58 -4.91 119.36 114.19 3h9s n ILE 46 Ca 0.03 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.40 3h9s n ILE 46 Cb 0.47 -0.03 -0.12 0.00 -1.74 0.00 0.00 39.64 38.22 3h9s n ILE 46 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 3h9s s MET 47 N -1.37 0.29 -0.12 6.28 -1.94 -1.17 -5.01 119.30 116.26 3h9s s MET 47 Ca 0.00 0.70 0.02 0.00 -1.71 0.00 0.00 55.69 54.69 3h9s s MET 47 Cb 0.00 -0.04 -0.01 0.00 2.01 0.00 0.00 34.83 36.79 3h9s s MET 47 CO 0.00 -0.18 -0.17 -1.12 -0.01 0.00 0.00 175.02 173.54 3h9s s SER 48 N 1.53 3.67 0.03 3.03 0.01 -1.26 -0.14 113.70 120.58 3h9s s SER 48 Ca -0.08 -0.41 0.05 0.00 1.31 0.00 0.00 55.95 56.82 3h9s s SER 48 Cb -0.10 -1.50 -0.02 0.00 0.21 0.00 0.00 66.02 64.61 3h9s s SER 48 CO -0.11 0.17 -0.13 -0.51 0.41 0.00 0.00 173.24 173.07 3h9s s ILE 49 N 0.31 1.05 0.00 1.44 2.07 0.01 -5.02 121.20 121.05 3h9s s ILE 49 Ca -0.13 -0.95 0.00 0.00 -1.41 0.00 0.00 60.65 58.16 3h9s s ILE 49 Cb -0.16 -0.95 0.00 0.00 0.13 0.00 0.00 42.46 41.47 3h9s s ILE 49 CO 0.07 0.01 0.00 -1.22 -1.91 0.00 0.00 174.94 171.88 3h9s n TYR 50 N 1.97 0.00 -4.38 3.50 4.01 -1.26 -2.15 117.16 118.85 3h9s n TYR 50 Ca -0.18 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.34 3h9s n TYR 50 Cb 0.55 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.47 3h9s n TYR 50 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3h9s s SER 51 N -1.27 2.96 0.39 7.72 1.04 -1.26 -4.90 113.70 118.38 3h9s s SER 51 Ca 0.00 -0.95 -0.27 0.00 0.48 0.00 0.00 55.95 55.20 3h9s s SER 51 Cb 0.00 -0.20 -0.10 0.00 0.10 0.00 0.00 66.02 65.82 3h9s s SER 51 CO 0.00 -0.04 1.43 0.20 0.98 0.00 0.00 173.24 175.81 3h9s s ASN 52 N -3.08 6.26 0.00 7.02 -0.87 -1.26 -4.63 114.94 118.38 3h9s s ASN 52 Ca 0.22 2.94 0.00 0.00 -1.57 0.00 0.00 52.86 54.45 3h9s s ASN 52 Cb -0.04 -2.66 0.00 0.00 -0.02 0.00 0.00 41.25 38.53 3h9s s ASN 52 CO 0.09 -0.91 0.00 0.61 -2.57 0.00 0.00 177.10 174.32 3h9s n GLY 53 N 0.55 0.52 3.64 0.66 0.00 -0.96 -4.93 105.19 104.66 3h9s n GLY 53 Ca 0.02 -2.20 -0.35 0.00 0.00 0.00 0.00 46.02 43.49 3h9s n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h9s s ASP 54 N -4.00 5.09 -0.11 1.61 1.01 -1.26 -1.66 116.67 117.34 3h9s s ASP 54 Ca 0.00 0.07 0.02 0.00 0.71 0.00 0.00 52.55 53.35 3h9s s ASP 54 Cb 0.00 -1.49 0.01 0.00 1.01 0.00 0.00 42.92 42.45 3h9s s ASP 54 CO 0.00 0.33 -0.18 -0.75 0.21 0.00 0.00 175.17 174.78 3h9s s LYS 55 N -0.62 2.53 -0.18 8.23 2.20 -0.39 -5.01 119.74 126.50 3h9s s LYS 55 Ca 0.10 -0.68 -0.01 0.00 -0.36 0.00 0.00 55.97 55.02 3h9s s LYS 55 Cb -0.12 -2.08 0.00 0.00 -1.51 0.00 0.00 37.83 34.13 3h9s s LYS 55 CO 0.02 -0.02 -0.12 -2.00 -0.36 0.00 0.00 175.35 172.87 3h9s s GLU 56 N 0.84 3.24 -0.35 4.03 2.12 -1.26 -1.47 118.70 125.85 3h9s s GLU 56 Ca -0.09 -0.72 0.00 0.00 0.36 0.00 0.00 54.97 54.53 3h9s s GLU 56 Cb -0.15 -2.75 0.11 0.00 0.26 0.00 0.00 34.13 31.59 3h9s s GLU 56 CO -0.00 -0.10 0.14 0.34 -0.54 0.00 0.00 175.26 175.10 3h9s s ASP 57 N 1.13 3.91 1.17 -1.70 2.15 -0.69 -5.02 116.67 117.62 3h9s s ASP 57 Ca 0.01 -1.95 0.00 0.00 0.43 0.00 0.00 52.55 51.04 3h9s s ASP 57 Cb -0.14 -0.92 0.00 0.00 -0.30 0.00 0.00 42.92 41.56 3h9s s ASP 57 CO -0.04 -0.37 0.00 0.61 -0.17 0.00 0.00 175.17 175.20 3h9s n GLY 58 N 4.44 1.30 0.19 2.66 0.00 -1.26 -3.02 105.19 109.50 3h9s n GLY 58 Ca 0.02 -0.54 0.14 0.00 0.00 0.00 0.00 46.02 45.64 3h9s n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h9s n ARG 61 N 12.35 0.82 -3.40 1.61 1.74 -1.26 -4.86 116.66 123.65 3h9s n ARG 61 Ca 0.00 -0.39 -0.36 0.00 -0.77 0.00 0.00 57.85 56.33 3h9s n ARG 61 Cb 0.00 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 29.89 3h9s n ARG 61 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3h9s s PHE 62 N -2.45 3.65 -0.08 -1.55 0.08 -1.17 -0.47 117.98 116.00 3h9s s PHE 62 Ca 0.28 1.03 -0.02 0.00 0.12 0.00 0.00 56.93 58.34 3h9s s PHE 62 Cb 0.20 -2.34 0.03 0.00 -0.57 0.00 0.00 43.02 40.34 3h9s s PHE 62 CO 0.48 0.50 0.03 0.99 -0.10 0.00 0.00 175.22 177.12 3h9s s THR 63 N -1.35 0.17 -0.00 0.64 2.01 -0.41 -1.71 115.64 114.99 3h9s s THR 63 Ca 0.34 0.17 -0.02 0.00 0.31 0.00 0.00 61.69 62.49 3h9s s THR 63 Cb -0.16 -0.43 -0.04 0.00 0.01 0.00 0.00 72.50 71.88 3h9s s THR 63 CO 0.18 0.16 0.17 0.00 -0.69 0.00 0.00 174.62 174.43 3h9s s ALA 64 N 2.05 3.89 0.22 7.40 0.00 -0.54 0.53 121.76 135.30 3h9s s ALA 64 Ca 0.04 -0.79 0.11 0.00 0.00 0.00 0.00 51.96 51.32 3h9s s ALA 64 Cb -0.13 -1.82 -0.05 0.00 0.00 0.00 0.00 23.12 21.13 3h9s s ALA 64 CO -0.05 0.75 -0.22 -0.65 0.00 0.00 0.00 175.76 175.59 3h9s s GLN 65 N -1.97 1.53 -0.06 0.00 -0.21 -0.95 -1.26 119.66 116.75 3h9s s GLN 65 Ca 0.27 -1.58 0.01 0.00 0.02 0.00 0.00 55.36 54.07 3h9s s GLN 65 Cb -0.13 -1.74 0.02 0.00 1.00 0.00 0.00 33.01 32.17 3h9s s GLN 65 CO 0.19 0.36 -0.04 -1.17 -2.12 0.00 0.00 175.29 172.50 3h9s s LEU 66 N -2.93 1.20 -0.43 2.90 2.96 -0.67 -1.89 118.68 119.82 3h9s s LEU 66 Ca 0.23 -0.14 0.02 0.00 -0.22 0.00 0.00 54.13 54.01 3h9s s LEU 66 Cb -0.07 -0.50 0.13 0.00 0.50 0.00 0.00 46.19 46.26 3h9s s LEU 66 CO 0.11 -0.08 0.23 0.21 -1.32 0.00 0.00 176.35 175.50 3h9s s ASN 67 N 1.15 3.63 0.58 3.68 2.47 -0.70 -2.28 114.94 123.47 3h9s s ASN 67 Ca -0.07 -2.58 0.28 0.00 0.42 0.00 0.00 52.86 50.91 3h9s s ASN 67 Cb -0.14 -1.00 1.62 0.00 -1.45 0.00 0.00 41.25 40.28 3h9s s ASN 67 CO -0.01 -0.27 2.10 0.11 -3.72 0.00 0.00 177.10 175.31 3h9s h LYS 68 N 6.78 0.00 0.00 0.43 1.57 -1.96 0.54 116.57 123.93 3h9s h LYS 68 Ca -0.01 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 3h9s h LYS 68 Cb 0.93 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.23 3h9s h LYS 68 CO 0.47 0.00 -0.50 0.00 -0.57 0.00 0.00 179.45 178.85 3h9s h ALA 69 N 1.79 0.99 -0.01 3.86 0.00 -1.95 -3.22 119.26 120.72 3h9s h ALA 69 Ca 0.09 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3h9s h ALA 69 Cb 0.48 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3h9s h ALA 69 CO -0.00 0.63 -0.02 0.45 0.00 0.00 0.00 179.25 180.30 3h9s n SER 70 N -3.68 1.42 -2.79 0.00 2.88 -0.98 -5.04 113.62 105.43 3h9s n SER 70 Ca -0.01 -1.21 -0.07 0.00 -1.33 0.00 0.00 58.87 56.25 3h9s n SER 70 Cb 0.56 0.09 0.03 0.00 -0.75 0.00 0.00 64.21 64.14 3h9s n SER 70 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3h9s n GLN 71 N 0.23 -1.46 -3.70 -1.46 6.02 0.13 -4.95 117.38 112.18 3h9s n GLN 71 Ca 0.03 0.90 -0.13 0.00 -0.01 0.00 0.00 57.00 57.80 3h9s n GLN 71 Cb 0.15 -4.82 -0.13 0.00 1.02 0.00 0.00 30.24 26.46 3h9s n GLN 71 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 3h9s s TYR 72 N -3.18 -0.37 -0.11 1.08 5.04 -0.87 -2.44 117.35 116.49 3h9s s TYR 72 Ca 0.22 0.87 0.02 0.00 -2.44 0.00 0.00 57.07 55.74 3h9s s TYR 72 Cb -0.03 0.03 -0.01 0.00 0.35 0.00 0.00 41.96 42.30 3h9s s TYR 72 CO 0.57 -0.28 -0.19 0.08 -1.34 0.00 0.00 175.55 174.39 3h9s s VAL 73 N 1.66 2.52 0.45 3.14 1.01 0.03 -1.72 120.40 127.48 3h9s s VAL 73 Ca -0.06 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.09 3h9s s VAL 73 Cb -0.11 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 3h9s s VAL 73 CO -0.09 0.55 0.04 -0.94 0.00 0.00 0.00 175.10 174.66 3h9s s SER 74 N 0.28 3.62 -0.27 3.32 1.04 -0.79 -0.84 113.70 120.05 3h9s s SER 74 Ca -0.14 -1.59 -0.04 0.00 0.48 0.00 0.00 55.95 54.66 3h9s s SER 74 Cb -0.17 0.31 0.15 0.00 0.10 0.00 0.00 66.02 66.41 3h9s s SER 74 CO 0.07 -0.78 0.54 -0.22 0.98 0.00 0.00 173.24 173.83 3h9s s LEU 75 N -3.75 -1.06 -0.06 2.42 2.96 -0.52 -2.24 118.68 116.42 3h9s s LEU 75 Ca 0.18 0.91 -0.14 0.00 -0.22 0.00 0.00 54.13 54.86 3h9s s LEU 75 Cb 0.04 1.85 -0.05 0.00 0.50 0.00 0.00 46.19 48.53 3h9s s LEU 75 CO 0.09 -0.26 0.36 -0.76 -1.32 0.00 0.00 176.35 174.47 3h9s s LEU 76 N 2.77 4.39 -0.37 -0.68 2.01 0.19 -1.37 118.68 125.61 3h9s s LEU 76 Ca 0.10 0.79 -0.04 0.00 0.01 0.00 0.00 54.13 54.99 3h9s s LEU 76 Cb -0.14 -2.49 0.08 0.00 0.01 0.00 0.00 46.19 43.65 3h9s s LEU 76 CO -0.18 0.25 0.14 -0.63 1.01 0.00 0.00 176.35 176.93 3h9s s ILE 77 N -0.52 3.35 0.01 -0.59 1.01 -0.01 -1.28 121.20 123.17 3h9s s ILE 77 Ca 0.21 -1.69 -0.23 0.00 0.00 0.00 0.00 60.65 58.94 3h9s s ILE 77 Cb -0.15 -3.12 -0.05 0.00 0.01 0.00 0.00 42.46 39.15 3h9s s ILE 77 CO 0.10 -0.44 0.70 -0.60 0.00 0.00 0.00 174.94 174.69 3h9s s ARG 78 N 1.23 4.43 -0.53 2.79 3.52 0.38 -2.22 118.95 128.55 3h9s s ARG 78 Ca 0.03 0.93 -0.09 0.00 -0.13 0.00 0.00 55.73 56.47 3h9s s ARG 78 Cb -0.22 -3.37 0.01 0.00 -1.56 0.00 0.00 34.95 29.82 3h9s s ARG 78 CO -0.02 0.28 0.61 -3.47 -0.81 0.00 0.00 175.30 171.89 3h9s n ASP 79 N 2.91 -7.60 -4.71 -2.12 2.03 -1.23 -4.79 116.55 101.03 3h9s n ASP 79 Ca -0.04 0.27 -0.42 0.00 0.52 0.00 0.00 54.79 55.12 3h9s n ASP 79 Cb 0.51 -5.15 -0.03 0.00 -0.72 0.00 0.00 41.12 35.73 3h9s n ASP 79 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3h9s s SER 80 N -2.71 6.82 0.50 1.67 0.01 -1.06 -4.68 113.70 114.24 3h9s s SER 80 Ca 0.14 2.33 -0.02 0.00 1.31 0.00 0.00 55.95 59.70 3h9s s SER 80 Cb -0.04 -2.59 -0.00 0.00 0.21 0.00 0.00 66.02 63.60 3h9s s SER 80 CO 0.72 -0.66 0.76 -1.58 0.41 0.00 0.00 173.24 172.89 3h9s s GLN 81 N 1.13 3.08 0.33 12.44 2.00 -1.26 -2.34 119.66 135.03 3h9s s GLN 81 Ca 0.65 -0.25 0.04 0.00 -2.00 0.00 0.00 55.36 53.79 3h9s s GLN 81 Cb -0.37 -2.45 0.57 0.00 0.80 0.00 0.00 33.01 31.57 3h9s s GLN 81 CO 0.30 -0.39 1.86 -1.35 -0.50 0.00 0.00 175.29 175.21 3h9s h PRO 82 N 0.20 0.56 -0.88 1.67 0.11 -1.95 -2.94 132.00 128.77 3h9s h PRO 82 Ca -0.46 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.53 3h9s h PRO 82 Cb 1.25 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3h9s h PRO 82 CO 0.59 0.58 0.00 -1.13 -0.21 0.00 0.00 178.00 177.83 3h9s n SER 83 N -4.28 0.88 -0.11 -2.05 3.41 -1.26 -2.62 113.62 107.59 3h9s n SER 83 Ca 0.02 -1.83 0.11 0.00 -0.26 0.00 0.00 58.87 56.90 3h9s n SER 83 Cb 0.25 -0.44 0.04 0.00 -0.26 0.00 0.00 64.21 63.79 3h9s n SER 83 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3h9s n ASP 84 N 0.02 1.07 -4.59 4.04 8.00 -1.11 -4.91 116.55 119.06 3h9s n ASP 84 Ca 0.00 -0.90 -0.42 0.00 0.71 0.00 0.00 54.79 54.18 3h9s n ASP 84 Cb 0.22 0.65 -0.03 0.00 -0.02 0.00 0.00 41.12 41.94 3h9s n ASP 84 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3h9s s SER 85 N -2.86 5.51 0.19 -2.24 0.01 -1.08 -4.88 113.70 108.35 3h9s s SER 85 Ca 0.12 1.48 -0.12 0.00 1.31 0.00 0.00 55.95 58.74 3h9s s SER 85 Cb 0.17 -2.52 0.04 0.00 0.21 0.00 0.00 66.02 63.93 3h9s s SER 85 CO 0.74 -1.98 0.59 0.00 0.41 0.00 0.00 173.24 173.00 3h9s n ALA 86 N 11.62 -1.44 -2.75 1.44 0.00 -0.91 -4.83 120.51 123.64 3h9s n ALA 86 Ca 0.27 -0.74 -0.34 0.00 0.00 0.00 0.00 53.44 52.63 3h9s n ALA 86 Cb 0.47 0.51 -0.10 0.00 0.00 0.00 0.00 19.45 20.33 3h9s n ALA 86 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3h9s s THR 87 N -2.33 4.14 -0.25 0.00 -1.32 -0.64 0.51 115.64 115.75 3h9s s THR 87 Ca 0.12 -0.30 -0.05 0.00 -1.21 0.00 0.00 61.69 60.26 3h9s s THR 87 Cb -0.03 -2.76 0.00 0.00 -1.51 0.00 0.00 72.50 68.20 3h9s s THR 87 CO 0.06 0.56 0.01 -0.31 -2.21 0.00 0.00 174.62 172.73 3h9s s TYR 88 N -0.44 3.05 -0.28 9.09 1.51 0.06 -0.27 117.35 130.06 3h9s s TYR 88 Ca 0.08 -0.99 -0.14 0.00 -1.01 0.00 0.00 57.07 55.01 3h9s s TYR 88 Cb -0.12 -2.16 -0.03 0.00 -0.11 0.00 0.00 41.96 39.53 3h9s s TYR 88 CO 0.02 -0.56 0.34 -0.51 -1.11 0.00 0.00 175.55 173.73 3h9s s LEU 89 N 1.48 4.11 -0.04 -1.29 2.01 0.41 -1.93 118.68 123.42 3h9s s LEU 89 Ca 0.04 0.14 -0.23 0.00 0.01 0.00 0.00 54.13 54.09 3h9s s LEU 89 Cb -0.16 -2.36 -0.04 0.00 0.01 0.00 0.00 46.19 43.64 3h9s s LEU 89 CO -0.01 -0.19 0.68 0.00 1.01 0.00 0.00 176.35 177.84 3h9s s ALA 91 N 0.52 0.78 -0.02 0.00 0.00 -0.02 -0.11 121.76 122.90 3h9s s ALA 91 Ca 0.36 -0.36 0.01 0.00 0.00 0.00 0.00 51.96 51.97 3h9s s ALA 91 Cb -0.18 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.72 3h9s s ALA 91 CO 0.18 0.17 -0.02 0.08 0.00 0.00 0.00 175.76 176.16 3h9s s VAL 92 N -0.07 0.31 0.17 0.00 1.01 0.56 0.22 120.40 122.61 3h9s s VAL 92 Ca 0.01 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 61.95 3h9s s VAL 92 Cb -0.05 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 3h9s s VAL 92 CO -0.00 0.15 0.04 0.28 0.00 0.00 0.00 175.10 175.57 3h9s s THR 93 N 0.61 0.43 -0.16 3.92 -1.32 0.79 -0.77 115.64 119.14 3h9s s THR 93 Ca -0.07 -1.96 0.17 0.00 -1.21 0.00 0.00 61.69 58.63 3h9s s THR 93 Cb -0.10 -2.20 -0.25 0.00 -1.51 0.00 0.00 72.50 68.44 3h9s s THR 93 CO -0.01 -0.37 0.22 0.35 -2.21 0.00 0.00 174.62 172.60 3h9s n THR 98 N -0.23 1.31 -3.65 5.08 -2.24 -1.26 -0.13 114.28 113.16 3h9s n THR 98 Ca -0.05 -0.82 -0.01 0.00 -2.27 0.00 0.00 64.05 60.91 3h9s n THR 98 Cb 0.64 -0.52 -0.01 0.00 -2.10 0.00 0.00 70.33 68.34 3h9s n THR 98 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3h9s s ASP 99 N -5.52 -0.11 0.38 3.42 -4.77 -1.26 -4.24 116.67 104.56 3h9s s ASP 99 Ca -0.09 -0.19 0.26 0.00 -3.30 0.00 0.00 52.55 49.23 3h9s s ASP 99 Cb 0.07 0.27 1.29 0.00 -1.09 0.00 0.00 42.92 43.46 3h9s s ASP 99 CO 0.83 -0.48 1.38 -1.20 0.70 0.00 0.00 175.17 176.40 3h9s n SER 100 N -0.43 0.21 -0.27 2.11 7.64 -1.26 -0.62 113.62 121.01 3h9s n SER 100 Ca -0.07 1.28 0.06 0.00 1.01 0.00 0.00 58.87 61.15 3h9s n SER 100 Cb 0.62 -0.63 -0.01 0.00 -1.01 0.00 0.00 64.21 63.18 3h9s n SER 100 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 3h9s n TRP 101 N -4.59 0.00 -2.77 1.43 8.01 -1.26 -4.97 117.44 113.29 3h9s n TRP 101 Ca 0.35 0.00 -0.39 0.00 -1.31 0.00 0.00 57.50 56.15 3h9s n TRP 101 Cb 1.33 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 30.57 3h9s n TRP 101 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 3h9s s GLY 102 N -1.66 3.01 0.30 6.99 0.00 0.21 -5.01 107.32 111.16 3h9s s GLY 102 Ca 0.10 0.58 -0.27 0.00 0.00 0.00 0.00 44.72 45.13 3h9s s GLY 102 CO 0.34 1.11 0.91 0.28 0.00 0.00 0.00 173.10 175.74 3h9s n LYS 103 N 1.20 1.12 -2.89 2.90 4.01 -1.26 -4.63 118.16 118.60 3h9s n LYS 103 Ca -0.01 0.39 -0.43 0.00 -0.51 0.00 0.00 58.31 57.75 3h9s n LYS 103 Cb 0.48 -1.72 -0.05 0.00 -0.51 0.00 0.00 35.03 33.23 3h9s n LYS 103 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 3h9s s LEU 104 N 0.80 4.22 -0.11 -0.35 2.96 -1.26 -4.49 118.68 120.45 3h9s s LEU 104 Ca 0.60 -0.37 -0.27 0.00 -0.22 0.00 0.00 54.13 53.87 3h9s s LEU 104 Cb -0.71 -2.82 -0.02 0.00 0.50 0.00 0.00 46.19 43.14 3h9s s LEU 104 CO 0.59 -1.14 0.88 -1.10 -1.32 0.00 0.00 176.35 174.26 3h9s s GLN 105 N 3.69 4.39 0.00 1.98 -1.52 0.05 -4.87 119.66 123.39 3h9s s GLN 105 Ca 0.29 1.15 0.02 0.00 -1.95 0.00 0.00 55.36 54.86 3h9s s GLN 105 Cb -0.13 -3.53 -0.04 0.00 -0.22 0.00 0.00 33.01 29.09 3h9s s GLN 105 CO 0.19 -0.23 -0.01 -0.06 -0.25 0.00 0.00 175.29 174.94 3h9s s PHE 106 N 1.75 3.04 0.87 0.91 0.40 -1.26 -0.32 117.98 123.36 3h9s s PHE 106 Ca 0.43 0.06 -0.13 0.00 -0.60 0.00 0.00 56.93 56.69 3h9s s PHE 106 Cb -0.18 -1.66 0.12 0.00 0.51 0.00 0.00 43.02 41.82 3h9s s PHE 106 CO 0.17 0.45 1.19 0.20 0.70 0.00 0.00 175.22 177.92 3h9s s GLY 107 N -1.55 1.61 0.43 4.36 0.00 0.84 -4.56 107.32 108.45 3h9s s GLY 107 Ca 0.19 -0.70 0.21 0.00 0.00 0.00 0.00 44.72 44.42 3h9s s GLY 107 CO 0.10 -0.14 1.85 0.00 0.00 0.00 0.00 173.10 174.91 3h9s h ALA 108 N -1.31 1.12 0.00 3.20 0.00 -1.90 -3.43 119.26 116.94 3h9s h ALA 108 Ca -0.47 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.19 3h9s h ALA 108 Cb 1.32 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3h9s h ALA 108 CO 0.60 0.35 0.00 0.41 0.00 0.00 0.00 179.25 180.61 3h9s n GLY 109 N -0.10 2.35 3.48 0.00 0.00 -1.26 -4.99 105.19 104.67 3h9s n GLY 109 Ca -0.01 -1.62 -0.34 0.00 0.00 0.00 0.00 46.02 44.06 3h9s n GLY 109 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3h9s s THR 110 N -1.33 3.74 -0.37 2.61 -1.32 -0.81 -4.77 115.64 113.40 3h9s s THR 110 Ca 0.00 -0.41 -0.24 0.00 -1.21 0.00 0.00 61.69 59.83 3h9s s THR 110 Cb 0.00 -2.63 0.01 0.00 -1.51 0.00 0.00 72.50 68.37 3h9s s THR 110 CO 0.00 0.50 0.80 -1.58 -2.21 0.00 0.00 174.62 172.13 3h9s s GLN 111 N 0.34 3.74 -0.23 7.08 0.74 -1.26 -0.76 119.66 129.31 3h9s s GLN 111 Ca -0.05 0.32 -0.09 0.00 0.05 0.00 0.00 55.36 55.59 3h9s s GLN 111 Cb -0.14 -3.82 -0.04 0.00 1.10 0.00 0.00 33.01 30.11 3h9s s GLN 111 CO 0.03 -0.88 0.11 0.08 -0.55 0.00 0.00 175.29 174.08 3h9s s VAL 112 N 3.16 4.88 -0.24 1.34 1.01 0.18 -1.67 120.40 129.06 3h9s s VAL 112 Ca 0.32 0.01 -0.06 0.00 0.00 0.00 0.00 61.98 62.26 3h9s s VAL 112 Cb -0.13 -3.26 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 3h9s s VAL 112 CO 0.18 0.36 0.02 -0.69 0.00 0.00 0.00 175.10 174.96 3h9s s VAL 113 N 1.14 3.83 -0.46 2.92 1.01 -0.63 -2.15 120.40 126.06 3h9s s VAL 113 Ca 0.06 -0.39 -0.18 0.00 0.00 0.00 0.00 61.98 61.47 3h9s s VAL 113 Cb -0.14 -2.80 0.04 0.00 0.00 0.00 0.00 36.38 33.48 3h9s s VAL 113 CO 0.04 0.34 0.50 -0.69 0.00 0.00 0.00 175.10 175.30 3h9s s VAL 114 N 1.54 5.03 0.13 2.92 1.01 -1.25 -0.97 120.40 128.80 3h9s s VAL 114 Ca 0.06 -0.47 -0.24 0.00 0.00 0.00 0.00 61.98 61.32 3h9s s VAL 114 Cb -0.15 -4.14 -0.07 0.00 0.00 0.00 0.00 36.38 32.01 3h9s s VAL 114 CO 0.00 -0.58 0.72 0.42 0.00 0.00 0.00 175.10 175.66 3h9s s THR 115 N 2.26 4.51 0.55 3.92 -4.23 -0.36 -4.88 115.64 117.40 3h9s s THR 115 Ca 0.12 1.56 -0.16 0.00 -1.18 0.00 0.00 61.69 62.04 3h9s s THR 115 Cb -0.19 -4.07 -0.06 0.00 1.34 0.00 0.00 72.50 69.52 3h9s s THR 115 CO 0.12 0.52 1.01 -2.16 -0.54 0.00 0.00 174.62 173.57 3h9s s PRO 116 N -1.02 3.75 -0.37 3.99 0.04 -1.26 -0.67 135.00 139.46 3h9s s PRO 116 Ca 0.34 0.98 -0.29 0.00 0.04 0.00 0.00 61.00 62.07 3h9s s PRO 116 Cb -0.22 -2.10 0.01 0.00 0.04 0.00 0.00 34.50 32.22 3h9s s PRO 116 CO 0.24 -0.44 1.38 -0.51 0.04 0.00 0.00 177.00 177.71 3h9s s ASP 117 N -3.17 6.44 -0.43 6.66 1.01 -1.26 -4.77 116.67 121.15 3h9s s ASP 117 Ca 0.59 0.97 0.02 0.00 0.71 0.00 0.00 52.55 54.84 3h9s s ASP 117 Cb -0.11 -2.54 0.12 0.00 1.01 0.00 0.00 42.92 41.39 3h9s s ASP 117 CO 0.36 -1.32 0.18 0.27 0.21 0.00 0.00 175.17 174.87 3h9s s ILE 118 N 5.09 2.75 0.18 0.77 -5.25 -1.26 -4.80 121.20 118.68 3h9s s ILE 118 Ca 0.60 -2.56 -0.13 0.00 -0.99 0.00 0.00 60.65 57.56 3h9s s ILE 118 Cb -0.15 -2.93 0.07 0.00 2.95 0.00 0.00 42.46 42.40 3h9s s ILE 118 CO 0.30 -0.70 1.80 1.56 -1.79 0.00 0.00 174.94 176.10 3h9s h GLN 119 N 7.41 0.52 -2.39 0.37 1.08 -1.93 -3.37 115.11 116.79 3h9s h GLN 119 Ca -0.07 -0.03 -0.37 0.00 -1.45 0.00 0.00 58.65 56.73 3h9s h GLN 119 Cb 0.99 -0.12 -0.35 0.00 -0.05 0.00 0.00 27.48 27.95 3h9s h GLN 119 CO 0.62 0.34 -0.67 0.54 -0.95 0.00 0.00 178.83 178.72 3h9s s ASN 120 N -5.52 2.01 0.62 1.46 4.22 -1.26 -5.15 114.94 111.32 3h9s s ASN 120 Ca -0.13 -0.74 -0.16 0.00 -2.14 0.00 0.00 52.86 49.69 3h9s s ASN 120 Cb 0.13 0.29 -0.02 0.00 1.28 0.00 0.00 41.25 42.93 3h9s s ASN 120 CO 0.74 -0.38 1.11 -2.16 -2.04 0.00 0.00 177.10 174.36 3h9s s PRO 121 N 2.29 3.01 -0.28 3.55 0.04 -1.26 -5.06 135.00 137.30 3h9s s PRO 121 Ca 0.09 1.41 -0.04 0.00 0.04 0.00 0.00 61.00 62.50 3h9s s PRO 121 Cb -0.15 -1.98 0.10 0.00 0.04 0.00 0.00 34.50 32.51 3h9s s PRO 121 CO -0.28 -1.09 0.12 0.16 0.04 0.00 0.00 177.00 175.95 3h9s s ASP 122 N -2.42 3.49 0.14 6.66 -4.77 -1.02 -5.05 116.67 113.70 3h9s s ASP 122 Ca 0.68 -1.27 -0.34 0.00 -3.30 0.00 0.00 52.55 48.31 3h9s s ASP 122 Cb -0.21 -0.41 -0.15 0.00 -1.09 0.00 0.00 42.92 41.07 3h9s s ASP 122 CO 0.37 -0.43 1.49 -0.81 0.70 0.00 0.00 175.17 176.49 3h9s n PRO 123 N 5.20 1.83 -3.57 2.11 -0.04 -1.12 -4.61 135.00 134.80 3h9s n PRO 123 Ca -0.06 0.66 -0.17 0.00 -0.04 0.00 0.00 63.50 63.89 3h9s n PRO 123 Cb 0.43 -2.38 -0.07 0.00 -0.04 0.00 0.00 33.50 31.45 3h9s n PRO 123 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h9s s ALA 124 N 0.69 -1.61 -0.20 0.55 0.00 -0.89 -0.68 121.76 119.63 3h9s s ALA 124 Ca 0.80 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.98 3h9s s ALA 124 Cb -0.76 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 22.29 3h9s s ALA 124 CO 0.42 -0.35 -0.16 0.08 0.00 0.00 0.00 175.76 175.75 3h9s s VAL 125 N -1.07 2.35 0.19 0.00 1.01 -1.05 -0.93 120.40 120.90 3h9s s VAL 125 Ca -0.10 -0.91 0.09 0.00 0.00 0.00 0.00 61.98 61.06 3h9s s VAL 125 Cb -0.01 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 3h9s s VAL 125 CO 0.08 0.46 -0.10 -0.31 0.00 0.00 0.00 175.10 175.23 3h9s s TYR 126 N 1.31 2.61 -0.15 5.22 2.02 -0.34 -4.44 117.35 123.58 3h9s s TYR 126 Ca 0.04 -0.23 -0.06 0.00 -0.37 0.00 0.00 57.07 56.45 3h9s s TYR 126 Cb -0.14 -1.27 -0.04 0.00 -0.40 0.00 0.00 41.96 40.11 3h9s s TYR 126 CO -0.10 0.52 0.06 -1.14 -1.57 0.00 0.00 175.55 173.32 3h9s s GLN 127 N -2.86 3.66 -0.12 -0.62 0.74 -1.26 -0.31 119.66 118.90 3h9s s GLN 127 Ca 0.25 -0.32 0.01 0.00 0.05 0.00 0.00 55.36 55.36 3h9s s GLN 127 Cb -0.09 -3.12 -0.01 0.00 1.10 0.00 0.00 33.01 30.90 3h9s s GLN 127 CO 0.15 0.47 -0.16 -0.51 -0.55 0.00 0.00 175.29 174.68 3h9s s LEU 128 N -0.18 2.53 0.26 3.68 1.43 -0.05 -5.01 118.68 121.35 3h9s s LEU 128 Ca 0.08 -0.39 -0.02 0.00 -1.03 0.00 0.00 54.13 52.77 3h9s s LEU 128 Cb -0.12 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 3h9s s LEU 128 CO 0.01 0.17 0.48 -0.13 0.23 0.00 0.00 176.35 177.11 3h9s s ARG 129 N 0.29 3.55 0.79 1.70 1.81 -1.26 -2.76 118.95 123.06 3h9s s ARG 129 Ca -0.12 -0.24 -0.10 0.00 -1.72 0.00 0.00 55.73 53.55 3h9s s ARG 129 Cb -0.16 -2.74 0.17 0.00 -0.45 0.00 0.00 34.95 31.77 3h9s s ARG 129 CO 0.06 0.29 1.07 -0.40 -0.68 0.00 0.00 175.30 175.64 3h9s n ASP 130 N -1.02 0.44 -1.48 0.23 5.75 -1.26 -4.98 116.55 114.23 3h9s n ASP 130 Ca -0.04 -1.61 0.09 0.00 -0.01 0.00 0.00 54.79 53.23 3h9s n ASP 130 Cb 0.54 -0.79 0.34 0.00 -1.03 0.00 0.00 41.12 40.19 3h9s n ASP 130 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3h9s n SER 131 N -3.49 4.58 0.00 -1.12 3.41 -1.26 -4.98 113.62 110.76 3h9s n SER 131 Ca 0.15 -2.43 0.00 0.00 -0.26 0.00 0.00 58.87 56.32 3h9s n SER 131 Cb 0.51 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 3h9s n SER 131 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3h9s n LYS 132 N 1.02 0.00 -2.78 4.33 5.02 -1.26 -5.10 118.16 119.39 3h9s n LYS 132 Ca 0.25 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.32 3h9s n LYS 132 Cb 0.85 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.85 3h9s n LYS 132 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3h9s n SER 133 N 0.00 3.26 -4.17 4.39 2.88 -1.26 -4.97 113.62 113.75 3h9s n SER 133 Ca 0.00 -3.37 -0.39 0.00 -1.33 0.00 0.00 58.87 53.78 3h9s n SER 133 Cb 0.00 -0.53 -0.08 0.00 -0.75 0.00 0.00 64.21 62.85 3h9s n SER 133 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3h9s s SER 134 N -3.23 5.62 -0.50 -3.46 0.15 -1.26 -5.01 113.70 106.01 3h9s s SER 134 Ca 0.42 -2.53 -0.28 0.00 0.70 0.00 0.00 55.95 54.26 3h9s s SER 134 Cb 0.37 -1.95 -0.30 0.00 -1.71 0.00 0.00 66.02 62.42 3h9s s SER 134 CO -0.11 -0.50 1.81 0.47 1.20 0.00 0.00 173.24 176.12 3h9s n ASP 135 N 4.00 1.08 -3.66 5.45 9.92 -1.26 -4.80 116.55 127.27 3h9s n ASP 135 Ca 0.04 -2.45 -0.10 0.00 -0.53 0.00 0.00 54.79 51.75 3h9s n ASP 135 Cb 0.40 -1.07 -0.04 0.00 -0.64 0.00 0.00 41.12 39.78 3h9s n ASP 135 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 3h9s s LYS 136 N 7.64 1.74 0.03 -1.24 0.00 -1.26 -4.58 119.74 122.07 3h9s s LYS 136 Ca 0.73 -1.39 -0.04 0.00 0.00 0.00 0.00 55.97 55.27 3h9s s LYS 136 Cb 0.05 0.49 -0.02 0.00 0.00 0.00 0.00 37.83 38.36 3h9s s LYS 136 CO 0.27 -0.74 0.05 -1.12 0.00 0.00 0.00 175.35 173.81 3h9s s SER 137 N -3.07 0.22 -0.10 0.03 0.01 -1.26 -4.75 113.70 104.78 3h9s s SER 137 Ca 0.23 -0.56 0.03 0.00 1.31 0.00 0.00 55.95 56.95 3h9s s SER 137 Cb -0.01 0.19 -0.01 0.00 0.21 0.00 0.00 66.02 66.40 3h9s s SER 137 CO 0.12 -0.46 -0.20 -0.69 0.41 0.00 0.00 173.24 172.41 3h9s s VAL 138 N -2.44 2.41 -0.22 3.43 1.01 -1.11 -4.10 120.40 119.39 3h9s s VAL 138 Ca -0.07 -0.90 -0.10 0.00 0.00 0.00 0.00 61.98 60.91 3h9s s VAL 138 Cb -0.02 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.35 3h9s s VAL 138 CO -0.04 0.55 0.15 0.00 0.00 0.00 0.00 175.10 175.76 3h9s s LEU 140 N 0.80 4.46 -0.24 0.00 2.96 0.58 -1.43 118.68 125.81 3h9s s LEU 140 Ca 0.08 -1.29 -0.23 0.00 -0.22 0.00 0.00 54.13 52.47 3h9s s LEU 140 Cb -0.13 -1.86 -0.01 0.00 0.50 0.00 0.00 46.19 44.69 3h9s s LEU 140 CO 0.02 -0.37 0.74 0.12 -1.32 0.00 0.00 176.35 175.55 3h9s s PHE 141 N 1.36 3.31 0.18 5.38 5.36 -0.64 -1.20 117.98 131.72 3h9s s PHE 141 Ca -0.01 1.01 -0.09 0.00 -0.96 0.00 0.00 56.93 56.88 3h9s s PHE 141 Cb -0.20 -2.96 -0.01 0.00 -0.34 0.00 0.00 43.02 39.51 3h9s s PHE 141 CO 0.02 -0.35 0.31 -0.08 -1.46 0.00 0.00 175.22 173.66 3h9s s THR 142 N 2.63 0.05 -1.49 0.12 -1.32 -0.11 -1.26 115.64 114.27 3h9s s THR 142 Ca 0.31 -1.40 -0.07 0.00 -1.21 0.00 0.00 61.69 59.33 3h9s s THR 142 Cb -0.15 -1.92 0.02 0.00 -1.51 0.00 0.00 72.50 68.94 3h9s s THR 142 CO 0.08 -0.23 0.79 0.47 -2.21 0.00 0.00 174.62 173.52 3h9s n ASP 143 N -0.25 -5.98 -4.62 8.08 9.92 -0.63 -2.09 116.55 120.98 3h9s n ASP 143 Ca -0.06 -0.40 -0.18 0.00 -0.53 0.00 0.00 54.79 53.62 3h9s n ASP 143 Cb 0.63 -4.79 0.05 0.00 -0.64 0.00 0.00 41.12 36.36 3h9s n ASP 143 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 3h9s n PHE 144 N -4.64 -2.06 -2.13 1.24 1.16 -1.26 -2.44 117.46 107.33 3h9s n PHE 144 Ca -0.06 -1.93 -0.32 0.00 -1.87 0.00 0.00 57.45 53.26 3h9s n PHE 144 Cb 0.59 -0.48 -0.00 0.00 -1.61 0.00 0.00 39.48 37.98 3h9s n PHE 144 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 3h9s s ASP 145 N -4.17 6.01 0.00 5.98 -1.08 -1.26 -4.52 116.67 117.63 3h9s s ASP 145 Ca 0.50 1.74 0.30 0.00 -0.52 0.00 0.00 52.55 54.57 3h9s s ASP 145 Cb -0.04 -2.53 1.49 0.00 -1.46 0.00 0.00 42.92 40.38 3h9s s ASP 145 CO 0.32 -1.01 1.99 -1.20 0.52 0.00 0.00 175.17 175.79 3h9s n SER 146 N -1.93 0.73 -0.32 -0.34 7.64 -1.26 -2.51 113.62 115.63 3h9s n SER 146 Ca 0.08 -1.24 0.13 0.00 1.01 0.00 0.00 58.87 58.85 3h9s n SER 146 Cb 0.53 -0.00 0.58 0.00 -1.01 0.00 0.00 64.21 64.32 3h9s n SER 146 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h9s n GLN 147 N -0.43 1.43 -3.82 1.43 6.02 -1.26 -4.92 117.38 115.84 3h9s n GLN 147 Ca 0.22 -0.64 -0.36 0.00 -0.01 0.00 0.00 57.00 56.21 3h9s n GLN 147 Cb 0.23 -1.43 -0.12 0.00 1.02 0.00 0.00 30.24 29.94 3h9s n GLN 147 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3h9s s THR 148 N -1.95 4.45 0.30 5.09 2.01 -1.04 -5.09 115.64 119.41 3h9s s THR 148 Ca 0.37 -0.13 -0.09 0.00 0.31 0.00 0.00 61.69 62.15 3h9s s THR 148 Cb 0.19 -3.06 -0.07 0.00 0.01 0.00 0.00 72.50 69.57 3h9s s THR 148 CO 0.31 0.36 0.63 0.20 -0.69 0.00 0.00 174.62 175.42 3h9s s ASN 149 N 1.35 6.56 -0.05 3.53 -0.87 -1.26 -4.96 114.94 119.24 3h9s s ASN 149 Ca 0.05 0.95 0.05 0.00 -1.57 0.00 0.00 52.86 52.34 3h9s s ASN 149 Cb -0.15 -2.24 -0.02 0.00 -0.02 0.00 0.00 41.25 38.82 3h9s s ASN 149 CO 0.04 -0.21 -0.21 0.68 -2.57 0.00 0.00 177.10 174.83 3h9s s VAL 150 N -2.05 2.44 0.47 1.60 -7.23 -1.26 -4.53 120.40 109.84 3h9s s VAL 150 Ca 0.48 -0.94 0.06 0.00 -1.81 0.00 0.00 61.98 59.77 3h9s s VAL 150 Cb -0.11 -1.91 -0.02 0.00 0.56 0.00 0.00 36.38 34.91 3h9s s VAL 150 CO 0.26 0.57 0.24 -0.44 -0.31 0.00 0.00 175.10 175.42 3h9s s SER 151 N -0.41 4.48 -0.28 4.85 0.01 -1.26 -4.89 113.70 116.21 3h9s s SER 151 Ca 0.04 -1.20 0.01 0.00 1.31 0.00 0.00 55.95 56.11 3h9s s SER 151 Cb -0.12 -0.04 0.16 0.00 0.21 0.00 0.00 66.02 66.23 3h9s s SER 151 CO 0.02 -0.78 0.44 0.00 0.41 0.00 0.00 173.24 173.32 3h9s s GLN 152 N -4.03 0.43 0.00 12.44 -2.07 -1.26 -4.84 119.66 120.33 3h9s s GLN 152 Ca 0.34 0.31 0.00 0.00 -1.82 0.00 0.00 55.36 54.19 3h9s s GLN 152 Cb 0.01 -0.22 0.00 0.00 -1.09 0.00 0.00 33.01 31.71 3h9s s GLN 152 CO 0.19 -0.94 0.00 -1.13 -1.32 0.00 0.00 175.29 172.10 3h9s n SER 153 N 5.37 0.00 0.00 12.60 3.41 -1.26 -5.08 113.62 128.66 3h9s n SER 153 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3h9s n SER 153 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 3h9s n SER 153 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3h9s n LYS 154 N 0.00 0.00 -2.91 4.33 5.02 -1.26 -4.65 118.16 118.70 3h9s n LYS 154 Ca 0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.09 3h9s n LYS 154 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.08 3h9s n LYS 154 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3h9s s ASP 155 N -4.00 4.95 0.00 4.39 1.11 -1.26 -5.03 116.67 116.83 3h9s s ASP 155 Ca 0.00 -0.67 0.29 0.00 0.18 0.00 0.00 52.55 52.35 3h9s s ASP 155 Cb 0.00 0.12 1.58 0.00 1.07 0.00 0.00 42.92 45.68 3h9s s ASP 155 CO 0.00 -1.43 2.03 -1.54 1.18 0.00 0.00 175.17 175.41 3h9s n SER 156 N -2.37 0.00 0.12 0.27 3.41 -1.26 -3.64 113.62 110.15 3h9s n SER 156 Ca 0.15 -0.48 -0.01 0.00 -0.26 0.00 0.00 58.87 58.27 3h9s n SER 156 Cb 0.61 -0.16 0.10 0.00 -0.26 0.00 0.00 64.21 64.51 3h9s n SER 156 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3h9s h ASP 157 N 0.00 0.00 -3.69 4.04 3.32 -1.95 -3.43 116.42 114.70 3h9s h ASP 157 Ca 0.00 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.40 3h9s h ASP 157 Cb 0.15 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 39.48 3h9s h ASP 157 CO 0.00 0.67 -0.59 -0.69 -1.72 0.00 0.00 179.24 176.91 3h9s s VAL 158 N -3.29 4.58 -0.20 -1.35 1.01 -1.24 -3.90 120.40 116.00 3h9s s VAL 158 Ca 0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 61.98 61.72 3h9s s VAL 158 Cb 0.11 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 3h9s s VAL 158 CO 0.76 0.24 0.08 -0.31 0.00 0.00 0.00 175.10 175.88 3h9s s TYR 159 N 1.64 3.25 -0.08 5.22 2.02 -0.13 -4.91 117.35 124.36 3h9s s TYR 159 Ca 0.06 0.07 0.04 0.00 -0.37 0.00 0.00 57.07 56.87 3h9s s TYR 159 Cb -0.16 -2.13 -0.01 0.00 -0.40 0.00 0.00 41.96 39.26 3h9s s TYR 159 CO 0.06 0.10 -0.22 0.42 -1.57 0.00 0.00 175.55 174.33 3h9s s ILE 160 N 0.61 2.30 0.53 2.71 1.01 -1.26 -1.99 121.20 125.11 3h9s s ILE 160 Ca 0.04 -0.96 -0.04 0.00 0.00 0.00 0.00 60.65 59.69 3h9s s ILE 160 Cb -0.13 -1.88 -0.01 0.00 0.01 0.00 0.00 42.46 40.46 3h9s s ILE 160 CO 0.01 0.56 0.82 0.42 0.00 0.00 0.00 174.94 176.75 3h9s s THR 161 N 0.03 4.05 0.63 2.92 -4.23 -0.45 -4.93 115.64 113.67 3h9s s THR 161 Ca -0.08 -0.06 -0.12 0.00 -1.18 0.00 0.00 61.69 60.25 3h9s s THR 161 Cb -0.15 -3.56 -0.03 0.00 1.34 0.00 0.00 72.50 70.09 3h9s s THR 161 CO 0.05 -0.53 1.04 -1.81 -0.54 0.00 0.00 174.62 172.83 3h9s s ASP 162 N -4.23 6.02 0.21 3.99 1.11 -1.26 -4.41 116.67 118.10 3h9s s ASP 162 Ca 0.51 1.50 -0.31 0.00 0.18 0.00 0.00 52.55 54.43 3h9s s ASP 162 Cb -0.10 -2.48 -0.10 0.00 1.07 0.00 0.00 42.92 41.30 3h9s s ASP 162 CO 0.43 -1.01 1.51 -0.75 1.18 0.00 0.00 175.17 176.53 3h9s s LYS 163 N -5.01 4.23 0.20 8.23 2.20 -1.26 -4.73 119.74 123.60 3h9s s LYS 163 Ca 0.56 2.34 0.02 0.00 -0.36 0.00 0.00 55.97 58.54 3h9s s LYS 163 Cb -0.12 -3.12 -0.05 0.00 -1.51 0.00 0.00 37.83 33.03 3h9s s LYS 163 CO 0.52 -0.52 0.01 0.95 -0.36 0.00 0.00 175.35 175.95 3h9s s THR 164 N 0.50 0.77 -0.12 3.43 -4.23 -0.65 -4.97 115.64 110.37 3h9s s THR 164 Ca 0.64 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.14 3h9s s THR 164 Cb -0.43 -2.24 -0.02 0.00 1.34 0.00 0.00 72.50 71.15 3h9s s THR 164 CO 0.38 -0.38 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.30 3h9s s VAL 165 N -3.60 3.38 0.34 2.29 1.01 -1.26 -1.39 120.40 121.18 3h9s s VAL 165 Ca 0.27 -0.55 0.08 0.00 0.00 0.00 0.00 61.98 61.77 3h9s s VAL 165 Cb 0.06 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 3h9s s VAL 165 CO 0.06 0.53 0.22 -1.48 0.00 0.00 0.00 175.10 174.43 3h9s s LEU 166 N 0.14 3.42 -0.29 3.92 0.05 -0.79 -4.98 118.68 120.14 3h9s s LEU 166 Ca -0.05 -0.65 -0.03 0.00 0.05 0.00 0.00 54.13 53.45 3h9s s LEU 166 Cb -0.14 -1.96 0.10 0.00 -2.05 0.00 0.00 46.19 42.13 3h9s s LEU 166 CO 0.04 -0.33 0.12 -0.62 -0.55 0.00 0.00 176.35 175.01 3h9s s ASP 167 N -3.92 3.60 -0.75 1.48 2.15 -1.26 -2.54 116.67 115.43 3h9s s ASP 167 Ca 0.39 -1.34 -0.23 0.00 0.43 0.00 0.00 52.55 51.81 3h9s s ASP 167 Cb -0.04 -0.44 0.07 0.00 -0.30 0.00 0.00 42.92 42.21 3h9s s ASP 167 CO 0.25 -0.43 1.08 -0.04 -0.17 0.00 0.00 175.17 175.86 3h9s s MET 168 N 2.01 3.25 -1.01 4.34 -1.94 0.54 -4.94 119.30 121.54 3h9s s MET 168 Ca 0.09 -0.94 -0.08 0.00 -1.71 0.00 0.00 55.69 53.04 3h9s s MET 168 Cb -0.16 -4.45 -0.15 0.00 2.01 0.00 0.00 34.83 32.08 3h9s s MET 168 CO -0.34 -1.89 3.09 0.54 -0.01 0.00 0.00 175.02 176.40 3h9s n ARG 169 N 7.85 2.97 0.00 2.03 1.74 -1.26 -2.52 116.66 127.46 3h9s n ARG 169 Ca 0.06 -1.71 0.00 0.00 -0.77 0.00 0.00 57.85 55.42 3h9s n ARG 169 Cb 0.47 -2.49 0.00 0.00 -1.02 0.00 0.00 32.46 29.42 3h9s n ARG 169 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3h9s n SER 170 N 3.26 0.00 0.00 0.55 7.64 -1.26 -4.81 113.62 118.99 3h9s n SER 170 Ca 0.63 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.51 3h9s n SER 170 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 3h9s n SER 170 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 3h9s n MET 171 N 0.00 6.24 -3.42 1.43 0.00 -1.20 -4.96 117.12 115.21 3h9s n MET 171 Ca 0.00 -0.03 -0.19 0.00 -0.00 0.00 0.00 57.70 57.48 3h9s n MET 171 Cb 0.00 -0.50 0.08 0.00 0.00 0.00 0.00 33.22 32.80 3h9s n MET 171 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 3h9s n ASP 172 N -0.90 -4.17 -4.51 6.12 2.03 -1.21 -5.01 116.55 108.90 3h9s n ASP 172 Ca 0.00 -0.53 -0.37 0.00 0.52 0.00 0.00 54.79 54.41 3h9s n ASP 172 Cb 0.00 -4.73 -0.12 0.00 -0.72 0.00 0.00 41.12 35.55 3h9s n ASP 172 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 3h9s s PHE 173 N -3.31 3.14 0.16 -0.67 5.36 -1.05 -5.02 117.98 116.59 3h9s s PHE 173 Ca 0.29 -0.20 0.10 0.00 -0.96 0.00 0.00 56.93 56.16 3h9s s PHE 173 Cb -0.13 -2.29 -0.04 0.00 -0.34 0.00 0.00 43.02 40.22 3h9s s PHE 173 CO 0.67 -0.27 -0.22 0.15 -1.46 0.00 0.00 175.22 174.10 3h9s s LYS 174 N 1.64 1.62 -0.20 10.12 1.02 -1.26 -0.34 119.74 132.34 3h9s s LYS 174 Ca 0.07 -1.37 -0.15 0.00 0.02 0.00 0.00 55.97 54.54 3h9s s LYS 174 Cb -0.15 -1.96 0.06 0.00 -0.52 0.00 0.00 37.83 35.25 3h9s s LYS 174 CO 0.06 0.43 0.51 -1.54 -0.92 0.00 0.00 175.35 173.90 3h9s s SER 175 N -2.42 -0.59 0.53 2.83 1.04 -1.05 -4.92 113.70 109.12 3h9s s SER 175 Ca 0.19 1.06 -0.12 0.00 0.48 0.00 0.00 55.95 57.57 3h9s s SER 175 Cb -0.09 1.01 -0.05 0.00 0.10 0.00 0.00 66.02 66.99 3h9s s SER 175 CO 0.10 -0.19 0.94 0.20 0.98 0.00 0.00 173.24 175.26 3h9s s ASN 176 N 0.84 6.39 0.08 7.02 0.01 -1.26 -1.88 114.94 126.14 3h9s s ASN 176 Ca -0.05 1.34 -0.24 0.00 -0.71 0.00 0.00 52.86 53.20 3h9s s ASN 176 Cb -0.05 -2.42 0.06 0.00 0.41 0.00 0.00 41.25 39.25 3h9s s ASN 176 CO -0.07 -0.67 0.59 -0.94 -1.51 0.00 0.00 177.10 174.50 3h9s s SER 177 N -3.69 -0.54 -0.04 -1.22 1.04 -0.48 -1.60 113.70 107.16 3h9s s SER 177 Ca 0.54 0.20 -0.11 0.00 0.48 0.00 0.00 55.95 57.07 3h9s s SER 177 Cb -0.10 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.58 3h9s s SER 177 CO 0.43 -0.81 0.25 0.00 0.98 0.00 0.00 173.24 174.08 3h9s s ALA 178 N -2.79 -0.62 -0.07 5.32 0.00 -0.39 -1.64 121.76 121.58 3h9s s ALA 178 Ca -0.03 0.37 0.05 0.00 0.00 0.00 0.00 51.96 52.34 3h9s s ALA 178 Cb -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 3h9s s ALA 178 CO -0.04 -0.20 -0.21 0.08 0.00 0.00 0.00 175.76 175.39 3h9s s VAL 179 N -0.78 2.42 -0.03 0.00 1.01 -1.26 -1.63 120.40 120.13 3h9s s VAL 179 Ca -0.09 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.02 3h9s s VAL 179 Cb -0.05 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 3h9s s VAL 179 CO 0.02 0.57 -0.21 0.00 0.00 0.00 0.00 175.10 175.48 3h9s s ALA 180 N -0.22 1.81 0.14 5.51 0.00 -0.52 -1.35 121.76 127.13 3h9s s ALA 180 Ca -0.01 -0.90 -0.07 0.00 0.00 0.00 0.00 51.96 50.98 3h9s s ALA 180 Cb -0.13 -0.51 -0.01 0.00 0.00 0.00 0.00 23.12 22.46 3h9s s ALA 180 CO 0.03 0.40 0.22 1.67 0.00 0.00 0.00 175.76 178.08 3h9s s TRP 181 N -0.31 0.43 0.05 0.00 -2.14 -0.84 -0.04 118.94 116.09 3h9s s TRP 181 Ca 0.03 -0.82 0.01 0.00 2.66 0.00 0.00 56.10 57.98 3h9s s TRP 181 Cb -0.10 -0.14 -0.03 0.00 -3.10 0.00 0.00 33.47 30.10 3h9s s TRP 181 CO 0.01 -0.64 -0.05 0.45 -2.66 0.00 0.00 176.95 174.06 3h9s s SER 182 N -2.96 0.66 0.00 -2.66 0.15 -1.26 -0.96 113.70 106.67 3h9s s SER 182 Ca 0.16 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 56.03 3h9s s SER 182 Cb 0.04 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 3h9s s SER 182 CO -0.02 -0.41 0.00 -0.46 1.20 0.00 0.00 173.24 173.55 3h9s n ASN 183 N 0.74 0.00 -4.72 5.45 6.94 -1.25 -4.15 115.26 118.27 3h9s n ASN 183 Ca -0.18 0.00 -0.42 0.00 -0.02 0.00 0.00 54.58 53.96 3h9s n ASN 183 Cb 0.58 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.97 3h9s n ASN 183 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 3h9s s LYS 184 N 0.00 4.52 0.09 -3.83 2.36 -1.26 -4.53 119.74 117.09 3h9s s LYS 184 Ca 0.00 1.69 -0.12 0.00 -2.55 0.00 0.00 55.97 55.00 3h9s s LYS 184 Cb 0.00 -3.33 0.01 0.00 -1.05 0.00 0.00 37.83 33.46 3h9s s LYS 184 CO 0.00 -0.08 0.27 -1.54 1.55 0.00 0.00 175.35 175.55 3h9s s SER 185 N 0.53 -0.02 -0.16 1.43 1.04 -1.26 -4.99 113.70 110.27 3h9s s SER 185 Ca 0.54 -0.49 0.15 0.00 0.48 0.00 0.00 55.95 56.63 3h9s s SER 185 Cb -0.28 0.38 0.43 0.00 0.10 0.00 0.00 66.02 66.65 3h9s s SER 185 CO 0.31 -0.75 1.20 0.47 0.98 0.00 0.00 173.24 175.45 3h9s n ASP 186 N -0.03 1.83 -4.85 7.02 8.00 -1.26 -5.10 116.55 122.16 3h9s n ASP 186 Ca -0.16 -3.27 -0.22 0.00 0.71 0.00 0.00 54.79 51.85 3h9s n ASP 186 Cb 0.62 -0.44 -0.04 0.00 -0.02 0.00 0.00 41.12 41.24 3h9s n ASP 186 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3h9s s PHE 187 N -2.40 3.18 0.31 1.24 0.08 -1.26 -5.13 117.98 114.01 3h9s s PHE 187 Ca 0.38 -0.08 0.03 0.00 0.12 0.00 0.00 56.93 57.38 3h9s s PHE 187 Cb 0.38 -1.45 -0.05 0.00 -0.57 0.00 0.00 43.02 41.32 3h9s s PHE 187 CO -0.09 0.51 0.09 0.00 -0.10 0.00 0.00 175.22 175.63 3h9s s ALA 188 N -2.05 2.18 -0.08 5.36 0.00 -1.26 -5.08 121.76 120.83 3h9s s ALA 188 Ca 0.33 -1.85 0.14 0.00 0.00 0.00 0.00 51.96 50.58 3h9s s ALA 188 Cb -0.08 0.86 -0.14 0.00 0.00 0.00 0.00 23.12 23.75 3h9s s ALA 188 CO 0.25 -0.38 0.90 0.00 0.00 0.00 0.00 175.76 176.53 3h9s n ALA 190 N -2.41 4.45 -0.32 0.00 0.00 -1.26 -2.98 120.51 117.99 3h9s n ALA 190 Ca -0.09 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.57 3h9s n ALA 190 Cb 0.89 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 19.17 3h9s n ALA 190 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3h9s n ASN 191 N 0.91 0.00 0.17 0.00 2.85 -1.25 -4.95 115.26 112.99 3h9s n ASN 191 Ca 0.14 0.00 0.12 0.00 -0.11 0.00 0.00 54.58 54.73 3h9s n ASN 191 Cb 0.55 0.00 0.23 0.00 1.24 0.00 0.00 39.78 41.80 3h9s n ASN 191 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3h9s h ALA 192 N 0.00 0.95 -0.57 5.20 0.00 -1.41 -3.14 119.26 120.29 3h9s h ALA 192 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.50 3h9s h ALA 192 Cb 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 17.49 3h9s h ALA 192 CO 0.00 0.00 -0.61 1.19 0.00 0.00 0.00 179.25 179.83 3h9s n PHE 193 N -2.78 2.05 0.57 0.00 3.72 -1.26 -4.67 117.46 115.09 3h9s n PHE 193 Ca 0.04 -2.06 0.13 0.00 -0.05 0.00 0.00 57.45 55.51 3h9s n PHE 193 Cb 0.50 -0.39 0.42 0.00 -0.94 0.00 0.00 39.48 39.07 3h9s n PHE 193 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3h9s n ASN 194 N -0.84 0.82 0.00 4.37 4.13 -1.19 -3.10 115.26 119.45 3h9s n ASN 194 Ca 0.39 0.60 0.14 0.00 1.68 0.00 0.00 54.58 57.39 3h9s n ASN 194 Cb 0.89 -0.81 0.69 0.00 -1.54 0.00 0.00 39.78 39.01 3h9s n ASN 194 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 3h9s n ASN 195 N -2.29 0.00 -4.80 6.41 2.04 -1.26 -4.89 115.26 110.47 3h9s n ASN 195 Ca 0.05 0.19 -0.23 0.00 -0.44 0.00 0.00 54.58 54.15 3h9s n ASN 195 Cb 0.40 -0.40 -0.05 0.00 -2.53 0.00 0.00 39.78 37.20 3h9s n ASN 195 CO 0.00 0.00 0.00 -0.44 -0.44 0.00 0.00 177.26 176.38 3h9s s SER 196 N -2.79 4.73 -0.27 0.53 0.01 -1.18 -4.69 113.70 110.04 3h9s s SER 196 Ca 0.21 -0.90 -0.22 0.00 1.31 0.00 0.00 55.95 56.35 3h9s s SER 196 Cb 0.20 -0.55 -0.01 0.00 0.21 0.00 0.00 66.02 65.87 3h9s s SER 196 CO 0.50 -0.57 0.73 0.27 0.41 0.00 0.00 173.24 174.57 3h9s s ILE 197 N -2.53 4.89 -0.09 1.44 -0.00 -1.26 -5.03 121.20 118.62 3h9s s ILE 197 Ca 0.44 1.23 0.03 0.00 -0.00 0.00 0.00 60.65 62.36 3h9s s ILE 197 Cb 0.00 -4.05 0.00 0.00 -0.00 0.00 0.00 42.46 38.42 3h9s s ILE 197 CO 0.25 -0.09 -0.20 -0.63 -0.00 0.00 0.00 174.94 174.27 3h9s s ILE 198 N 2.73 1.77 0.68 8.37 1.01 -1.26 -4.74 121.20 129.76 3h9s s ILE 198 Ca 0.30 -0.85 -0.17 0.00 0.00 0.00 0.00 60.65 59.93 3h9s s ILE 198 Cb -0.15 -1.55 -0.14 0.00 0.01 0.00 0.00 42.46 40.63 3h9s s ILE 198 CO 0.10 0.50 -0.24 -2.65 0.00 0.00 0.00 174.94 172.64 3h9s n PRO 199 N 3.64 0.04 0.27 2.79 -0.01 -1.26 -4.93 135.00 135.54 3h9s n PRO 199 Ca -0.20 0.02 0.15 0.00 -0.01 0.00 0.00 63.50 63.46 3h9s n PRO 199 Cb 0.53 -1.11 0.69 0.00 -0.01 0.00 0.00 33.50 33.60 3h9s n PRO 199 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 175.50 176.42 3h9s h GLU 200 N -0.35 0.00 -0.46 -0.52 5.08 -2.01 -3.01 114.58 113.31 3h9s h GLU 200 Ca -0.43 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 57.71 3h9s h GLU 200 Cb 1.39 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.51 3h9s h GLU 200 CO 0.36 0.09 0.04 -0.40 -1.00 0.00 0.00 179.01 178.10 3h9s n ASP 201 N -3.29 2.77 -4.66 1.42 5.75 -1.26 -4.99 116.55 112.30 3h9s n ASP 201 Ca -0.00 -3.71 -0.43 0.00 -0.01 0.00 0.00 54.79 50.64 3h9s n ASP 201 Cb 0.30 -0.67 -0.02 0.00 -1.03 0.00 0.00 41.12 39.70 3h9s n ASP 201 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3h9s s THR 202 N -3.24 4.06 -0.57 2.12 2.01 -1.14 -4.68 115.64 114.21 3h9s s THR 202 Ca 0.47 1.28 -0.22 0.00 0.31 0.00 0.00 61.69 63.52 3h9s s THR 202 Cb 0.42 -3.84 0.06 0.00 0.01 0.00 0.00 72.50 69.15 3h9s s THR 202 CO 0.02 -0.13 0.85 0.12 -0.69 0.00 0.00 174.62 174.80 3h9s s PHE 203 N 3.71 2.84 -0.44 4.92 5.36 0.15 -4.93 117.98 129.59 3h9s s PHE 203 Ca 0.61 -0.35 -0.12 0.00 -0.96 0.00 0.00 56.93 56.10 3h9s s PHE 203 Cb -0.25 -3.99 0.07 0.00 -0.34 0.00 0.00 43.02 38.50 3h9s s PHE 203 CO 0.19 -1.35 0.32 -0.06 -1.46 0.00 0.00 175.22 172.86 3h9s s PHE 204 N 3.57 3.28 0.44 10.12 0.08 -1.26 -2.53 117.98 131.69 3h9s s PHE 204 Ca 0.23 -1.17 -0.03 0.00 0.12 0.00 0.00 56.93 56.08 3h9s s PHE 204 Cb -0.16 -2.99 -0.03 0.00 -0.57 0.00 0.00 43.02 39.26 3h9s s PHE 204 CO 0.14 -0.80 0.71 -1.25 -0.10 0.00 0.00 175.22 173.93 3h9s s PRO 205 N 1.55 3.46 0.00 0.24 0.05 -1.26 -5.07 135.00 133.97 3h9s s PRO 205 Ca 0.03 -0.02 0.00 0.00 0.05 0.00 0.00 61.00 61.06 3h9s s PRO 205 Cb -0.23 -2.47 0.00 0.00 0.05 0.00 0.00 34.50 31.85 3h9s s PRO 205 CO 0.05 -0.13 0.00 -1.13 0.05 0.00 0.00 177.00 175.84