#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6m s HIS 2 N 0.00 -0.36 -0.17 1.61 5.04 -1.26 -5.12 115.29 115.04 1x6m s HIS 2 Ca 0.00 0.65 -0.05 0.00 -1.54 0.00 0.00 55.06 54.12 1x6m s HIS 2 Cb 0.00 0.19 -0.22 0.00 0.04 0.00 0.00 32.58 32.58 1x6m s HIS 2 CO 0.00 -0.42 0.15 -1.33 -2.34 0.00 0.00 174.74 170.80 1x6m n MET 3 N 1.45 0.71 -5.05 2.88 0.00 -1.26 -4.96 117.12 110.89 1x6m n MET 3 Ca -0.19 0.25 -0.29 0.00 0.00 0.00 0.00 57.70 57.47 1x6m n MET 3 Cb 0.56 -1.65 -0.16 0.00 0.00 0.00 0.00 33.22 31.97 1x6m n MET 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1x6m s VAL 4 N -2.53 1.73 -0.12 2.03 0.11 -1.26 -5.10 120.40 115.26 1x6m s VAL 4 Ca -0.27 -0.89 -0.29 0.00 -2.93 0.00 0.00 61.98 57.59 1x6m s VAL 4 Cb 0.08 -1.46 -0.04 0.00 -1.53 0.00 0.00 36.38 33.42 1x6m s VAL 4 CO 0.70 0.49 1.57 -0.62 -3.33 0.00 0.00 175.10 173.90 1x6m s ASP 5 N -0.12 6.64 0.00 3.54 2.15 -1.26 -4.87 116.67 122.75 1x6m s ASP 5 Ca -0.02 1.97 0.02 0.00 0.43 0.00 0.00 52.55 54.96 1x6m s ASP 5 Cb -0.12 -2.53 0.05 0.00 -0.30 0.00 0.00 42.92 40.01 1x6m s ASP 5 CO 0.02 -0.98 0.84 0.41 -0.17 0.00 0.00 175.17 175.29 1x6m n THR 6 N 5.70 0.54 -1.77 1.71 -1.04 -1.26 -4.72 114.28 113.44 1x6m n THR 6 Ca 0.17 -0.77 -0.42 0.00 -2.04 0.00 0.00 64.05 60.99 1x6m n THR 6 Cb 0.44 0.75 -0.03 0.00 -1.82 0.00 0.00 70.33 69.67 1x6m n THR 6 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1x6m s SER 7 N -0.64 6.40 0.00 8.00 0.01 -1.26 -2.55 113.70 123.66 1x6m s SER 7 Ca 0.04 2.86 0.00 0.00 1.31 0.00 0.00 55.95 60.16 1x6m s SER 7 Cb 0.02 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1x6m s SER 7 CO 0.03 -0.94 0.00 0.61 0.41 0.00 0.00 173.24 173.35 1x6m n GLY 8 N 3.46 1.34 3.62 3.44 0.00 -1.26 -4.99 105.19 110.79 1x6m n GLY 8 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1x6m n GLY 8 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x6m s VAL 9 N -3.75 3.96 -0.15 1.61 1.01 -1.06 -5.02 120.40 117.01 1x6m s VAL 9 Ca 0.00 1.06 -0.06 0.00 0.00 0.00 0.00 61.98 62.97 1x6m s VAL 9 Cb 0.00 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1x6m s VAL 9 CO 0.00 -0.52 0.07 -0.54 0.00 0.00 0.00 175.10 174.11 1x6m s LYS 10 N 4.54 3.65 -0.18 2.72 -0.14 -1.26 -5.03 119.74 124.05 1x6m s LYS 10 Ca 0.61 -0.31 -0.12 0.00 -1.36 0.00 0.00 55.97 54.80 1x6m s LYS 10 Cb -0.18 -3.12 -0.07 0.00 -1.68 0.00 0.00 37.83 32.78 1x6m s LYS 10 CO 0.27 0.48 -0.27 -0.89 -0.76 0.00 0.00 175.35 174.18 1x6m n ILE 11 N 2.89 1.28 -3.65 2.17 2.08 -1.26 -4.67 119.36 118.20 1x6m n ILE 11 Ca -0.18 -0.10 -0.01 0.00 0.56 0.00 0.00 62.75 63.02 1x6m n ILE 11 Cb 0.53 -1.94 -0.07 0.00 -0.75 0.00 0.00 39.64 37.42 1x6m n ILE 11 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 1x6m s HIS 12 N -2.51 -0.19 0.59 1.39 5.04 -1.26 -1.19 115.29 117.15 1x6m s HIS 12 Ca -0.27 0.41 0.29 0.00 -1.54 0.00 0.00 55.06 53.95 1x6m s HIS 12 Cb 0.08 0.26 1.49 0.00 0.04 0.00 0.00 32.58 34.46 1x6m s HIS 12 CO 0.36 -0.09 1.92 -1.35 -2.34 0.00 0.00 174.74 173.23 1x6m h PRO 13 N 4.57 0.00 0.00 2.88 0.10 -1.97 0.59 132.00 138.17 1x6m h PRO 13 Ca -0.27 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.83 1x6m h PRO 13 Cb 1.18 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.28 1x6m h PRO 13 CO 0.20 0.00 0.00 0.00 0.10 0.00 0.00 178.00 178.30 1x6m n ALA 14 N -2.34 1.98 -0.00 -0.75 0.00 -1.26 -3.78 120.51 114.35 1x6m n ALA 14 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1x6m n ALA 14 Cb 0.63 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1x6m n ALA 14 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1x6m n VAL 15 N -1.75 0.00 0.07 0.00 0.24 0.12 -4.30 118.33 112.72 1x6m n VAL 15 Ca 0.05 -0.39 -0.08 0.00 -2.04 0.00 0.00 64.34 61.88 1x6m n VAL 15 Cb 0.28 1.00 -0.11 0.00 -1.47 0.00 0.00 33.84 33.54 1x6m n VAL 15 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1x6m h ASP 16 N 0.00 0.05 -1.51 -1.34 3.45 -1.43 -3.35 116.42 112.29 1x6m h ASP 16 Ca 0.00 -0.05 -0.50 0.00 0.43 0.00 0.00 57.03 56.91 1x6m h ASP 16 Cb 0.00 -0.02 -0.41 0.00 -0.56 0.00 0.00 39.33 38.35 1x6m h ASP 16 CO 0.00 1.02 -0.92 0.59 -1.57 0.00 0.00 179.24 178.36 1x6m n ASN 17 N -3.39 3.18 0.00 6.45 4.13 -1.26 -5.06 115.26 119.31 1x6m n ASN 17 Ca -0.01 -3.30 0.00 0.00 1.68 0.00 0.00 54.58 52.95 1x6m n ASN 17 Cb 0.94 -0.51 0.00 0.00 -1.54 0.00 0.00 39.78 38.66 1x6m n ASN 17 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1x6m n GLY 18 N -0.23 2.02 3.61 7.41 0.00 -1.26 -5.03 105.19 111.72 1x6m n GLY 18 Ca 0.26 -1.52 -0.35 0.00 0.00 0.00 0.00 46.02 44.42 1x6m n GLY 18 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x6m s ILE 19 N -0.72 4.69 -0.00 -0.61 1.01 -1.26 -4.29 121.20 120.02 1x6m s ILE 19 Ca 0.00 -0.07 -0.30 0.00 0.00 0.00 0.00 60.65 60.28 1x6m s ILE 19 Cb 0.00 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 1x6m s ILE 19 CO 0.00 0.46 1.10 -0.54 0.00 0.00 0.00 174.94 175.95 1x6m s LYS 20 N 0.43 4.46 0.81 2.79 1.02 -1.26 -5.05 119.74 122.95 1x6m s LYS 20 Ca 0.03 1.58 -0.11 0.00 0.02 0.00 0.00 55.97 57.48 1x6m s LYS 20 Cb -0.13 -3.45 0.08 0.00 -0.52 0.00 0.00 37.83 33.81 1x6m s LYS 20 CO 0.01 -0.23 1.09 -1.25 -0.92 0.00 0.00 175.35 174.05 1x6m s PRO 21 N 1.38 1.95 0.74 -1.68 0.04 -1.26 -4.67 135.00 131.50 1x6m s PRO 21 Ca 0.54 0.79 -0.16 0.00 0.04 0.00 0.00 61.00 62.22 1x6m s PRO 21 Cb -0.24 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.42 1x6m s PRO 21 CO 0.26 -1.76 0.95 0.00 0.04 0.00 0.00 177.00 176.50 1x6m n ALA 22 N -3.55 -0.35 -2.49 8.56 0.00 -1.20 -3.95 120.51 117.53 1x6m n ALA 22 Ca 0.07 -0.22 -0.24 0.00 0.00 0.00 0.00 53.44 53.05 1x6m n ALA 22 Cb 0.55 -2.11 -0.10 0.00 0.00 0.00 0.00 19.45 17.80 1x6m n ALA 22 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1x6m s GLN 23 N -3.40 1.73 0.40 0.00 -1.52 -1.05 -4.90 119.66 110.93 1x6m s GLN 23 Ca 0.72 -1.73 -0.24 0.00 -1.95 0.00 0.00 55.36 52.16 1x6m s GLN 23 Cb -0.34 -1.81 -0.09 0.00 -0.22 0.00 0.00 33.01 30.55 1x6m s GLN 23 CO 0.51 0.33 1.01 -2.14 -0.25 0.00 0.00 175.29 174.76 1x6m s PRO 24 N -3.52 4.23 -0.45 2.91 0.02 -1.26 -3.32 135.00 133.62 1x6m s PRO 24 Ca 0.30 1.40 0.00 0.00 0.02 0.00 0.00 61.00 62.72 1x6m s PRO 24 Cb -0.05 -2.50 0.00 0.00 0.02 0.00 0.00 34.50 31.97 1x6m s PRO 24 CO 0.15 -0.07 0.00 0.41 -0.33 0.00 0.00 177.00 177.17 1x6m n GLY 25 N 0.19 0.45 3.68 0.52 0.00 -1.26 -4.94 105.19 103.83 1x6m n GLY 25 Ca 0.05 -0.02 -0.50 0.00 0.00 0.00 0.00 46.02 45.55 1x6m n GLY 25 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1x6m n PHE 26 N -2.17 2.24 -1.23 1.61 7.35 -1.21 -4.89 117.46 119.16 1x6m n PHE 26 Ca -0.04 0.16 0.07 0.00 -0.76 0.00 0.00 57.45 56.88 1x6m n PHE 26 Cb 0.49 -2.60 0.10 0.00 0.35 0.00 0.00 39.48 37.83 1x6m n PHE 26 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1x6m n ALA 27 N 5.76 2.18 0.00 3.13 0.00 -1.26 -3.95 120.51 126.36 1x6m n ALA 27 Ca 0.22 -2.19 0.00 0.00 0.00 0.00 0.00 53.44 51.48 1x6m n ALA 27 Cb 0.26 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.32 1x6m n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x6m n GLY 28 N -1.07 -0.53 0.00 0.00 0.00 -1.26 -2.91 105.19 99.42 1x6m n GLY 28 Ca 0.12 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.96 1x6m n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x6m n GLY 29 N 0.00 -0.64 3.06 -0.02 0.00 0.26 -4.96 105.19 102.88 1x6m n GLY 29 Ca 0.00 -0.55 -0.27 0.00 0.00 0.00 0.00 46.02 45.20 1x6m n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x6m s THR 30 N -3.60 1.39 -0.14 2.61 2.01 -1.26 0.95 115.64 117.59 1x6m s THR 30 Ca 0.00 -0.61 -0.11 0.00 0.31 0.00 0.00 61.69 61.28 1x6m s THR 30 Cb 0.00 -1.26 -0.05 0.00 0.01 0.00 0.00 72.50 71.20 1x6m s THR 30 CO 0.00 0.42 0.23 -0.76 -0.69 0.00 0.00 174.62 173.82 1x6m s LEU 31 N 0.77 4.30 0.01 4.42 1.02 0.18 -4.03 118.68 125.35 1x6m s LEU 31 Ca -0.12 0.49 0.08 0.00 0.02 0.00 0.00 54.13 54.60 1x6m s LEU 31 Cb -0.16 -2.26 -0.02 0.00 0.02 0.00 0.00 46.19 43.77 1x6m s LEU 31 CO 0.02 0.22 -0.25 -1.00 0.02 0.00 0.00 176.35 175.37 1x6m s HIS 32 N -0.11 2.20 1.01 0.29 3.76 -0.63 -0.36 115.29 121.46 1x6m s HIS 32 Ca 0.15 -0.41 -0.17 0.00 -0.15 0.00 0.00 55.06 54.48 1x6m s HIS 32 Cb -0.13 -1.38 0.24 0.00 1.11 0.00 0.00 32.58 32.42 1x6m s HIS 32 CO 0.04 0.02 1.19 0.00 -0.85 0.00 0.00 174.74 175.14 1x6m n LYS 34 N -4.01 3.56 -2.55 0.00 5.02 -1.26 -4.82 118.16 114.10 1x6m n LYS 34 Ca 0.15 -2.24 -0.42 0.00 -2.02 0.00 0.00 58.31 53.79 1x6m n LYS 34 Cb 0.55 -1.94 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 1x6m n LYS 34 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1x6m h SER 36 N 6.68 0.23 -3.47 0.00 0.02 -2.02 -3.38 113.55 111.61 1x6m h SER 36 Ca -0.42 0.03 -0.35 0.00 -0.84 0.00 0.00 61.79 60.21 1x6m h SER 36 Cb 1.22 -0.02 -0.34 0.00 0.14 0.00 0.00 62.40 63.40 1x6m h SER 36 CO 0.78 0.09 -0.75 -0.89 -1.14 0.00 0.00 176.83 174.92 1x6m s THR 37 N -5.24 0.20 -1.18 -2.27 2.01 -1.26 -4.86 115.64 103.03 1x6m s THR 37 Ca -0.07 0.09 -0.02 0.00 0.31 0.00 0.00 61.69 62.00 1x6m s THR 37 Cb 0.22 -0.30 -0.01 0.00 0.01 0.00 0.00 72.50 72.42 1x6m s THR 37 CO 0.78 0.16 0.93 0.59 -0.69 0.00 0.00 174.62 176.39 1x6m n ASN 38 N 4.23 -2.97 -4.73 3.53 3.02 -1.26 -4.96 115.26 112.13 1x6m n ASN 38 Ca -0.24 -0.68 -0.35 0.00 -0.03 0.00 0.00 54.58 53.27 1x6m n ASN 38 Cb 0.50 -4.94 0.08 0.00 -0.61 0.00 0.00 39.78 34.81 1x6m n ASN 38 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1x6m s PRO 39 N -5.26 2.34 0.28 3.52 0.04 -1.26 -4.82 135.00 129.83 1x6m s PRO 39 Ca 0.11 1.89 -0.30 0.00 0.04 0.00 0.00 61.00 62.74 1x6m s PRO 39 Cb -0.02 -1.84 -0.11 0.00 0.04 0.00 0.00 34.50 32.57 1x6m s PRO 39 CO 0.75 -1.71 1.59 0.08 0.04 0.00 0.00 177.00 177.74 1x6m s VAL 40 N -1.72 2.13 -0.08 -0.36 1.01 -1.26 -4.36 120.40 115.75 1x6m s VAL 40 Ca 0.78 0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.91 1x6m s VAL 40 Cb -0.33 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 32.99 1x6m s VAL 40 CO 0.42 0.02 -0.21 -0.13 0.00 0.00 0.00 175.10 175.20 1x6m s ARG 41 N -0.30 2.59 -0.09 2.72 0.52 -1.09 -1.96 118.95 121.33 1x6m s ARG 41 Ca 0.64 -0.76 0.01 0.00 -0.52 0.00 0.00 55.73 55.11 1x6m s ARG 41 Cb -0.47 -2.02 0.02 0.00 0.52 0.00 0.00 34.95 32.99 1x6m s ARG 41 CO 0.46 0.17 -0.11 0.14 0.02 0.00 0.00 175.30 175.98 1x6m s VAL 42 N 0.33 1.19 0.23 3.52 -7.23 0.52 -0.16 120.40 118.80 1x6m s VAL 42 Ca -0.15 -0.45 -0.30 0.00 -1.81 0.00 0.00 61.98 59.27 1x6m s VAL 42 Cb -0.17 -1.13 -0.09 0.00 0.56 0.00 0.00 36.38 35.56 1x6m s VAL 42 CO 0.07 0.38 0.98 0.00 -0.31 0.00 0.00 175.10 176.22 1x6m s ALA 43 N 1.13 3.34 -0.18 1.32 0.00 0.56 0.52 121.76 128.45 1x6m s ALA 43 Ca -0.05 0.67 -0.01 0.00 0.00 0.00 0.00 51.96 52.57 1x6m s ALA 43 Cb -0.14 -3.25 0.05 0.00 0.00 0.00 0.00 23.12 19.78 1x6m s ALA 43 CO -0.02 0.09 -0.02 0.08 0.00 0.00 0.00 175.76 175.89 1x6m s VAL 44 N -0.98 0.90 -0.31 0.00 1.01 0.27 -0.93 120.40 120.36 1x6m s VAL 44 Ca 0.43 -0.62 0.08 0.00 0.00 0.00 0.00 61.98 61.87 1x6m s VAL 44 Cb -0.27 -1.20 0.47 0.00 0.00 0.00 0.00 36.38 35.38 1x6m s VAL 44 CO 0.33 -0.01 1.37 0.54 0.00 0.00 0.00 175.10 177.34 1x6m n ARG 45 N 4.93 2.49 -3.84 2.72 1.74 -0.46 0.91 116.66 125.15 1x6m n ARG 45 Ca -0.10 -3.58 -0.09 0.00 -0.77 0.00 0.00 57.85 53.30 1x6m n ARG 45 Cb 0.47 -1.98 -0.05 0.00 -1.02 0.00 0.00 32.46 29.88 1x6m n ARG 45 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x6m s ALA 46 N -3.43 -0.62 0.64 7.54 0.00 -1.15 -4.76 121.76 119.98 1x6m s ALA 46 Ca 0.47 -0.50 -0.17 0.00 0.00 0.00 0.00 51.96 51.76 1x6m s ALA 46 Cb 0.41 0.90 -0.01 0.00 0.00 0.00 0.00 23.12 24.42 1x6m s ALA 46 CO -0.00 -0.80 1.20 -1.14 0.00 0.00 0.00 175.76 175.02 1x6m s GLN 47 N -3.93 2.71 0.61 0.00 2.00 -1.25 -4.08 119.66 115.72 1x6m s GLN 47 Ca 0.14 1.77 0.01 0.00 -2.00 0.00 0.00 55.36 55.27 1x6m s GLN 47 Cb -0.00 -1.90 0.06 0.00 0.80 0.00 0.00 33.01 31.97 1x6m s GLN 47 CO 0.01 -1.40 0.85 0.95 -0.50 0.00 0.00 175.29 175.20 1x6m s THR 48 N -1.77 2.48 0.12 -0.34 -4.23 -1.26 -4.89 115.64 105.75 1x6m s THR 48 Ca 0.76 -0.64 0.02 0.00 -1.18 0.00 0.00 61.69 60.65 1x6m s THR 48 Cb -0.29 -2.84 -0.04 0.00 1.34 0.00 0.00 72.50 70.66 1x6m s THR 48 CO 0.38 0.00 -0.06 0.00 -0.54 0.00 0.00 174.62 174.40 1x6m s ALA 49 N -2.89 1.12 -1.47 3.99 0.00 -0.25 -4.66 121.76 117.60 1x6m s ALA 49 Ca 0.60 -1.41 -0.11 0.00 0.00 0.00 0.00 51.96 51.04 1x6m s ALA 49 Cb -0.09 0.21 0.06 0.00 0.00 0.00 0.00 23.12 23.30 1x6m s ALA 49 CO 0.40 -0.23 0.95 0.72 0.00 0.00 0.00 175.76 177.61 1x6m n HIS 50 N -0.10 -2.30 -2.06 0.00 8.25 -1.26 -2.03 115.22 115.72 1x6m n HIS 50 Ca -0.11 0.91 -0.37 0.00 -0.26 0.00 0.00 57.72 57.89 1x6m n HIS 50 Cb 0.61 -4.19 0.02 0.00 1.12 0.00 0.00 29.99 27.55 1x6m n HIS 50 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1x6m s ASN 51 N -3.53 5.49 -0.23 0.41 2.47 -1.26 -4.43 114.94 113.86 1x6m s ASN 51 Ca 0.52 2.41 -0.29 0.00 0.42 0.00 0.00 52.86 55.93 1x6m s ASN 51 Cb -0.26 -2.60 0.16 0.00 -1.45 0.00 0.00 41.25 37.09 1x6m s ASN 51 CO 0.81 -1.39 1.17 -1.38 -3.72 0.00 0.00 177.10 172.59 1x6m s HIS 52 N -1.55 -0.23 0.24 0.43 -3.43 -1.09 -1.21 115.29 108.45 1x6m s HIS 52 Ca 0.73 0.43 -0.19 0.00 -0.80 0.00 0.00 55.06 55.23 1x6m s HIS 52 Cb -0.31 0.46 -0.08 0.00 -1.43 0.00 0.00 32.58 31.22 1x6m s HIS 52 CO 0.35 -0.20 0.73 0.14 -2.00 0.00 0.00 174.74 173.77 1x6m s VAL 53 N -0.87 4.57 -0.04 -5.38 -7.23 -0.67 -1.27 120.40 109.52 1x6m s VAL 53 Ca 0.03 1.25 -0.00 0.00 -1.81 0.00 0.00 61.98 61.45 1x6m s VAL 53 Cb -0.01 -3.82 0.03 0.00 0.56 0.00 0.00 36.38 33.13 1x6m s VAL 53 CO -0.04 0.14 0.01 0.00 -0.31 0.00 0.00 175.10 174.89 1x6m n GLY 55 N 4.52 1.70 3.70 0.00 0.00 -0.31 -0.55 105.19 114.25 1x6m n GLY 55 Ca -0.19 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 44.88 1x6m n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6m h THR 57 N -1.20 0.00 0.00 0.00 1.35 -1.94 -3.30 112.91 107.82 1x6m h THR 57 Ca -0.45 -0.58 -0.10 0.00 -0.55 0.00 0.00 66.41 64.73 1x6m h THR 57 Cb 1.28 1.54 -0.02 0.00 -1.73 0.00 0.00 68.15 69.23 1x6m h THR 57 CO 0.46 0.00 -0.65 0.11 -0.25 0.00 0.00 175.52 175.19 1x6m h LYS 58 N 0.00 0.00 -7.02 4.72 6.56 -1.99 -3.47 116.57 115.38 1x6m h LYS 58 Ca 0.00 0.00 -0.47 0.00 -1.06 0.00 0.00 60.65 59.12 1x6m h LYS 58 Cb 0.75 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.40 1x6m h LYS 58 CO 0.00 0.38 0.28 0.00 -2.06 0.00 0.00 179.45 178.05 1x6m s TRP 60 N -2.31 3.36 -0.03 0.00 -0.00 -1.26 -4.93 118.94 113.78 1x6m s TRP 60 Ca 0.58 1.66 -0.01 0.00 -0.00 0.00 0.00 56.10 58.33 1x6m s TRP 60 Cb -0.10 -3.17 0.02 0.00 -0.00 0.00 0.00 33.47 30.23 1x6m s TRP 60 CO 0.22 -0.59 0.07 0.15 -0.00 0.00 0.00 176.95 176.80 1x6m s LYS 61 N -2.18 0.03 0.79 5.86 1.02 -1.26 -4.51 119.74 119.50 1x6m s LYS 61 Ca 0.54 0.19 -0.13 0.00 0.02 0.00 0.00 55.97 56.59 1x6m s LYS 61 Cb -0.25 -0.12 0.08 0.00 -0.52 0.00 0.00 37.83 37.02 1x6m s LYS 61 CO 0.31 -0.10 1.18 -1.25 -0.92 0.00 0.00 175.35 174.57 1x6m s PRO 62 N 0.68 1.76 0.47 -1.68 0.04 -1.26 -4.87 135.00 130.15 1x6m s PRO 62 Ca -0.05 1.67 -0.22 0.00 0.04 0.00 0.00 61.00 62.44 1x6m s PRO 62 Cb -0.08 -1.80 -0.07 0.00 0.04 0.00 0.00 34.50 32.59 1x6m s PRO 62 CO -0.03 -2.10 1.13 -1.83 0.04 0.00 0.00 177.00 174.21 1x6m s GLU 63 N -4.20 3.72 0.00 4.56 -1.05 -1.26 -1.64 118.70 118.84 1x6m s GLU 63 Ca 0.71 1.66 0.00 0.00 -0.15 0.00 0.00 54.97 57.20 1x6m s GLU 63 Cb -0.27 -2.30 0.00 0.00 -0.44 0.00 0.00 34.13 31.12 1x6m s GLU 63 CO 0.50 -0.55 0.00 0.41 0.95 0.00 0.00 175.26 176.57 1x6m n GLY 64 N 0.30 2.80 3.73 -3.83 0.00 -1.26 -5.04 105.19 101.90 1x6m n GLY 64 Ca 0.08 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 1x6m n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6m s ALA 65 N 0.00 3.67 -0.65 4.61 0.00 -0.65 -4.91 121.76 123.84 1x6m s ALA 65 Ca 0.00 1.32 0.24 0.00 0.00 0.00 0.00 51.96 53.52 1x6m s ALA 65 Cb 0.00 -3.58 0.38 0.00 0.00 0.00 0.00 23.12 19.92 1x6m s ALA 65 CO 0.00 -0.74 1.35 0.44 0.00 0.00 0.00 175.76 176.81 1x6m n ILE 66 N 3.06 0.37 -4.39 0.00 -5.35 -1.19 -4.83 119.36 107.02 1x6m n ILE 66 Ca 0.10 -0.27 -0.25 0.00 -0.27 0.00 0.00 62.75 62.06 1x6m n ILE 66 Cb 0.40 -0.16 -0.09 0.00 -1.74 0.00 0.00 39.64 38.05 1x6m n ILE 66 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1x6m s PHE 67 N -3.16 2.45 0.08 4.28 0.40 -0.33 -4.77 117.98 116.92 1x6m s PHE 67 Ca 0.07 -0.29 0.02 0.00 -0.60 0.00 0.00 56.93 56.13 1x6m s PHE 67 Cb 0.13 -1.11 -0.04 0.00 0.51 0.00 0.00 43.02 42.52 1x6m s PHE 67 CO 0.71 0.63 0.10 0.45 0.70 0.00 0.00 175.22 177.82 1x6m s SER 68 N -3.33 5.67 -0.23 1.36 0.15 0.29 -4.71 113.70 112.90 1x6m s SER 68 Ca 0.28 0.04 -0.05 0.00 0.70 0.00 0.00 55.95 56.92 1x6m s SER 68 Cb -0.06 -1.57 -0.02 0.00 -1.71 0.00 0.00 66.02 62.66 1x6m s SER 68 CO 0.15 0.17 0.01 -1.58 1.20 0.00 0.00 173.24 173.20 1x6m s GLN 69 N -2.41 3.51 -0.09 5.44 0.74 -1.26 0.45 119.66 126.04 1x6m s GLN 69 Ca 0.30 -0.55 -0.06 0.00 0.05 0.00 0.00 55.36 55.10 1x6m s GLN 69 Cb -0.12 -3.16 0.04 0.00 1.10 0.00 0.00 33.01 30.87 1x6m s GLN 69 CO 0.23 -0.19 0.22 0.54 -0.55 0.00 0.00 175.29 175.55 1x6m s VAL 70 N 1.53 -0.03 0.46 1.34 0.11 -0.40 -4.49 120.40 118.92 1x6m s VAL 70 Ca 0.06 0.11 0.01 0.00 -2.93 0.00 0.00 61.98 59.23 1x6m s VAL 70 Cb -0.15 -0.34 -0.01 0.00 -1.53 0.00 0.00 36.38 34.36 1x6m s VAL 70 CO 0.00 0.04 0.05 0.00 -3.33 0.00 0.00 175.10 171.86 1x6m n ALA 71 N 3.83 0.47 -2.63 1.54 0.00 0.10 -2.68 120.51 121.14 1x6m n ALA 71 Ca -0.21 -2.16 -0.21 0.00 0.00 0.00 0.00 53.44 50.86 1x6m n ALA 71 Cb 0.55 1.27 -0.14 0.00 0.00 0.00 0.00 19.45 21.13 1x6m n ALA 71 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1x6m s VAL 72 N -2.88 1.10 -0.02 0.00 1.01 -0.86 -0.78 120.40 117.97 1x6m s VAL 72 Ca 0.07 -0.89 -0.06 0.00 0.00 0.00 0.00 61.98 61.10 1x6m s VAL 72 Cb 0.00 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.41 1x6m s VAL 72 CO 0.05 0.09 0.14 0.54 0.00 0.00 0.00 175.10 175.92 1x6m s VAL 73 N -0.71 0.05 0.20 2.92 0.11 -0.21 -1.09 120.40 121.67 1x6m s VAL 73 Ca 0.03 -0.39 -0.33 0.00 -2.93 0.00 0.00 61.98 58.36 1x6m s VAL 73 Cb -0.07 -0.33 -0.13 0.00 -1.53 0.00 0.00 36.38 34.31 1x6m s VAL 73 CO 0.01 -0.22 1.52 0.61 -3.33 0.00 0.00 175.10 173.70 1x6m n GLY 74 N 2.15 1.03 0.29 6.54 0.00 -1.26 0.32 105.19 114.25 1x6m n GLY 74 Ca -0.18 0.58 0.12 0.00 0.00 0.00 0.00 46.02 46.54 1x6m n GLY 74 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1x6m h ARG 75 N 5.25 0.00 0.00 1.61 0.11 -1.64 -0.76 114.38 118.95 1x6m h ARG 75 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 1x6m h ARG 75 Cb 1.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.34 1x6m h ARG 75 CO 0.84 0.00 0.00 -0.40 0.10 0.00 0.00 179.97 180.51 1x6m n ASP 76 N -4.14 0.00 -0.41 0.08 5.75 -1.26 -1.39 116.55 115.18 1x6m n ASP 76 Ca -0.02 0.48 0.13 0.00 -0.01 0.00 0.00 54.79 55.37 1x6m n ASP 76 Cb 0.11 -0.49 0.45 0.00 -1.03 0.00 0.00 41.12 40.16 1x6m n ASP 76 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1x6m n ALA 77 N -1.49 2.77 -2.86 2.12 0.00 -0.29 -4.94 120.51 115.82 1x6m n ALA 77 Ca 0.04 -0.44 -0.34 0.00 0.00 0.00 0.00 53.44 52.70 1x6m n ALA 77 Cb 0.18 -1.13 -0.11 0.00 0.00 0.00 0.00 19.45 18.38 1x6m n ALA 77 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1x6m s LEU 78 N -2.19 3.35 -0.09 0.00 1.98 -0.48 -1.36 118.68 119.89 1x6m s LEU 78 Ca 0.32 -0.05 -0.04 0.00 -2.89 0.00 0.00 54.13 51.47 1x6m s LEU 78 Cb 0.20 -1.80 0.04 0.00 0.66 0.00 0.00 46.19 45.30 1x6m s LEU 78 CO 0.40 0.22 0.20 -0.70 -1.89 0.00 0.00 176.35 174.59 1x6m s GLU 79 N 0.05 0.15 -0.01 1.98 2.12 -0.10 -5.00 118.70 117.88 1x6m s GLU 79 Ca 0.01 0.47 -0.30 0.00 0.36 0.00 0.00 54.97 55.51 1x6m s GLU 79 Cb -0.13 -0.15 -0.03 0.00 0.26 0.00 0.00 34.13 34.07 1x6m s GLU 79 CO 0.02 -0.17 1.08 0.08 -0.54 0.00 0.00 175.26 175.73 1x6m s VAL 80 N 1.29 4.52 -0.16 3.70 1.01 -1.26 -0.32 120.40 129.17 1x6m s VAL 80 Ca -0.09 1.81 0.02 0.00 0.00 0.00 0.00 61.98 63.73 1x6m s VAL 80 Cb -0.11 -4.16 -0.11 0.00 0.00 0.00 0.00 36.38 32.00 1x6m s VAL 80 CO -0.07 0.09 -0.13 0.18 0.00 0.00 0.00 175.10 175.17 1x6m n LEU 81 N 4.32 2.68 -4.20 3.92 4.77 0.78 -4.94 117.00 124.33 1x6m n LEU 81 Ca 0.08 -0.08 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 1x6m n LEU 81 Cb 0.48 -0.49 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1x6m n LEU 81 CO 0.54 0.73 -0.29 -1.61 -1.33 0.00 0.00 177.39 175.42 1x6m s GLU 82 N -2.33 1.07 -1.19 3.23 2.02 -1.15 -4.95 118.70 115.40 1x6m s GLU 82 Ca -0.21 -1.53 -0.02 0.00 0.02 0.00 0.00 54.97 53.24 1x6m s GLU 82 Cb 0.06 0.04 0.00 0.00 0.10 0.00 0.00 34.13 34.33 1x6m s GLU 82 CO 0.40 -0.24 0.23 0.41 0.02 0.00 0.00 175.26 176.07 1x6m n GLY 83 N -0.20 -0.21 0.18 -1.39 0.00 -1.26 -2.68 105.19 99.63 1x6m n GLY 83 Ca -0.04 -0.19 0.02 0.00 0.00 0.00 0.00 46.02 45.81 1x6m n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6m h ALA 84 N 0.71 1.21 0.00 4.61 0.00 -1.94 -2.56 119.26 121.30 1x6m h ALA 84 Ca -0.37 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.12 1x6m h ALA 84 Cb 1.26 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1x6m h ALA 84 CO 0.41 0.54 -0.15 1.05 0.00 0.00 0.00 179.25 181.10 1x6m h GLU 85 N 0.00 0.00 0.00 0.00 9.09 -2.03 -2.86 114.58 118.78 1x6m h GLU 85 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1x6m h GLU 85 Cb 0.80 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.90 1x6m h GLU 85 CO 0.06 0.15 -0.04 1.63 0.05 0.00 0.00 179.01 180.86 1x6m n LYS 86 N -3.70 0.08 -3.21 1.06 5.02 -0.97 -4.85 118.16 111.60 1x6m n LYS 86 Ca -0.02 0.06 -0.32 0.00 -2.02 0.00 0.00 58.31 56.02 1x6m n LYS 86 Cb 0.27 -1.59 -0.05 0.00 -0.02 0.00 0.00 35.03 33.64 1x6m n LYS 86 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1x6m s LEU 87 N -3.45 4.07 0.04 -0.35 1.43 -1.08 -0.74 118.68 118.60 1x6m s LEU 87 Ca 0.13 1.11 0.02 0.00 -1.03 0.00 0.00 54.13 54.36 1x6m s LEU 87 Cb 0.17 -3.91 -0.02 0.00 0.03 0.00 0.00 46.19 42.45 1x6m s LEU 87 CO 0.56 -0.18 -0.07 -1.83 0.23 0.00 0.00 176.35 175.06 1x6m s GLU 88 N -3.06 0.51 -0.08 1.70 -1.05 -0.15 -4.87 118.70 111.70 1x6m s GLU 88 Ca 0.51 -0.75 -0.24 0.00 -0.15 0.00 0.00 54.97 54.34 1x6m s GLU 88 Cb -0.11 -0.25 -0.03 0.00 -0.44 0.00 0.00 34.13 33.31 1x6m s GLU 88 CO 0.21 0.04 0.74 0.42 0.95 0.00 0.00 175.26 177.61 1x6m s ILE 89 N -1.42 5.01 0.02 1.83 1.01 -1.26 -0.87 121.20 125.53 1x6m s ILE 89 Ca -0.10 1.50 -0.26 0.00 0.00 0.00 0.00 60.65 61.79 1x6m s ILE 89 Cb -0.10 -4.07 -0.17 0.00 0.01 0.00 0.00 42.46 38.13 1x6m s ILE 89 CO 0.00 0.20 1.33 0.58 0.00 0.00 0.00 174.94 177.05 1x6m h VAL 90 N 4.85 0.70 -2.58 2.92 2.07 -1.26 -3.42 116.25 119.52 1x6m h VAL 90 Ca -0.39 -0.49 -0.39 0.00 0.82 0.00 0.00 66.70 66.25 1x6m h VAL 90 Cb 1.19 0.95 -0.37 0.00 -1.52 0.00 0.00 31.29 31.53 1x6m h VAL 90 CO 0.77 0.10 -0.68 0.21 0.02 0.00 0.00 177.57 177.98 1x6m s ASN 91 N -5.02 2.11 0.10 0.57 2.47 -1.26 -5.03 114.94 108.87 1x6m s ASN 91 Ca -0.15 -0.66 0.18 0.00 0.42 0.00 0.00 52.86 52.66 1x6m s ASN 91 Cb 0.03 0.14 0.77 0.00 -1.45 0.00 0.00 41.25 40.74 1x6m s ASN 91 CO 0.57 -0.37 1.57 0.00 -3.72 0.00 0.00 177.10 175.15 1x6m n ALA 92 N 5.29 1.69 0.96 1.71 0.00 -1.26 -2.56 120.51 126.34 1x6m n ALA 92 Ca -0.05 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.50 1x6m n ALA 92 Cb 0.47 -1.30 0.08 0.00 0.00 0.00 0.00 19.45 18.70 1x6m n ALA 92 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1x6m n GLU 93 N -1.79 2.06 -2.55 0.00 -0.58 -1.26 -4.93 120.64 111.60 1x6m n GLU 93 Ca 0.03 -1.74 -0.35 0.00 -0.42 0.00 0.00 57.16 54.68 1x6m n GLU 93 Cb 0.20 -1.44 -0.04 0.00 -0.57 0.00 0.00 31.44 29.59 1x6m n GLU 93 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1x6m s ALA 94 N -2.00 2.98 0.40 0.62 0.00 -1.06 -4.93 121.76 117.77 1x6m s ALA 94 Ca 0.26 0.65 0.13 0.00 0.00 0.00 0.00 51.96 53.00 1x6m s ALA 94 Cb 0.19 -3.26 0.97 0.00 0.00 0.00 0.00 23.12 21.02 1x6m s ALA 94 CO 0.33 -0.26 1.89 -1.35 0.00 0.00 0.00 175.76 176.37 1x6m h PRO 95 N 2.03 0.50 -4.97 0.00 0.11 -1.91 -3.36 132.00 124.40 1x6m h PRO 95 Ca -0.49 -0.03 -0.66 0.00 0.11 0.00 0.00 66.00 64.93 1x6m h PRO 95 Cb 1.22 -0.11 -0.27 0.00 0.11 0.00 0.00 31.00 31.94 1x6m h PRO 95 CO 0.61 0.33 -0.70 0.42 -0.21 0.00 0.00 178.00 178.45 1x6m s ILE 96 N -5.51 3.54 -0.36 4.15 1.01 -1.26 -4.20 121.20 118.57 1x6m s ILE 96 Ca -0.09 -0.47 -0.18 0.00 0.00 0.00 0.00 60.65 59.91 1x6m s ILE 96 Cb 0.22 -2.64 -0.00 0.00 0.01 0.00 0.00 42.46 40.04 1x6m s ILE 96 CO 0.78 0.38 0.50 -1.10 0.00 0.00 0.00 174.94 175.49 1x6m s GLN 97 N 1.50 3.56 -0.15 2.79 -0.21 -0.69 -4.86 119.66 121.59 1x6m s GLN 97 Ca 0.05 -0.25 -0.18 0.00 0.02 0.00 0.00 55.36 55.01 1x6m s GLN 97 Cb -0.15 -3.83 -0.04 0.00 1.00 0.00 0.00 33.01 30.00 1x6m s GLN 97 CO -0.02 -0.66 0.46 1.03 -2.12 0.00 0.00 175.29 173.98 1x6m s ARG 98 N 2.35 4.28 -0.23 2.91 0.52 -1.26 -1.36 118.95 126.16 1x6m s ARG 98 Ca 0.18 0.38 -0.10 0.00 -0.52 0.00 0.00 55.73 55.67 1x6m s ARG 98 Cb -0.16 -3.48 -0.05 0.00 0.52 0.00 0.00 34.95 31.79 1x6m s ARG 98 CO 0.13 0.07 0.13 -1.01 0.02 0.00 0.00 175.30 174.64 1x6m s HIS 99 N 0.94 3.28 0.01 -0.53 3.76 0.69 -0.67 115.29 122.77 1x6m s HIS 99 Ca 0.24 0.14 0.02 0.00 -0.15 0.00 0.00 55.06 55.31 1x6m s HIS 99 Cb -0.15 -2.23 -0.01 0.00 1.11 0.00 0.00 32.58 31.30 1x6m s HIS 99 CO 0.09 0.04 -0.07 0.50 -0.85 0.00 0.00 174.74 174.45 1x6m s ARG 100 N 0.98 0.56 -0.02 1.40 3.52 -0.05 -0.40 118.95 124.95 1x6m s ARG 100 Ca 0.07 -0.37 -0.30 0.00 -0.13 0.00 0.00 55.73 54.99 1x6m s ARG 100 Cb -0.13 -0.51 -0.05 0.00 -1.56 0.00 0.00 34.95 32.70 1x6m s ARG 100 CO 0.04 0.13 1.33 0.00 -0.81 0.00 0.00 175.30 175.99 1x6m h ARG 102 N 7.68 0.00 0.02 0.00 0.11 -1.27 0.99 114.38 121.91 1x6m h ARG 102 Ca -0.37 -0.00 -0.30 0.00 0.10 0.00 0.00 59.98 59.41 1x6m h ARG 102 Cb 1.17 -0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.21 1x6m h ARG 102 CO 0.89 0.00 -1.72 -0.44 0.10 0.00 0.00 179.97 178.80 1x6m h ASP 103 N 0.00 0.07 0.00 0.08 3.32 -1.91 -3.40 116.42 114.58 1x6m h ASP 103 Ca 0.10 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1x6m h ASP 103 Cb 0.41 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1x6m h ASP 103 CO -0.00 1.14 -0.74 0.00 -1.72 0.00 0.00 179.24 177.92 1x6m n GLY 105 N 1.74 1.27 3.74 0.00 0.00 0.34 -4.94 105.19 107.33 1x6m n GLY 105 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1x6m n GLY 105 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x6m s VAL 106 N -2.87 3.40 -0.15 1.61 1.01 -1.26 -4.60 120.40 117.54 1x6m s VAL 106 Ca 0.00 1.17 -0.20 0.00 0.00 0.00 0.00 61.98 62.94 1x6m s VAL 106 Cb 0.00 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1x6m s VAL 106 CO 0.00 0.18 0.60 -1.00 0.00 0.00 0.00 175.10 174.88 1x6m s HIS 107 N 0.02 3.45 -0.14 5.22 0.09 -1.26 -0.29 115.29 122.38 1x6m s HIS 107 Ca 0.55 0.97 0.11 0.00 -0.00 0.00 0.00 55.06 56.69 1x6m s HIS 107 Cb -0.34 -2.73 -0.23 0.00 -0.00 0.00 0.00 32.58 29.28 1x6m s HIS 107 CO 0.37 -0.03 0.28 -1.33 -0.00 0.00 0.00 174.74 174.03 1x6m n MET 108 N 4.42 0.67 -2.77 1.40 2.81 0.47 -4.72 117.12 119.40 1x6m n MET 108 Ca -0.03 0.15 -0.04 0.00 -1.81 0.00 0.00 57.70 55.97 1x6m n MET 108 Cb 0.51 -1.64 0.02 0.00 -0.71 0.00 0.00 33.22 31.39 1x6m n MET 108 CO 0.00 0.00 0.00 2.48 1.51 0.00 0.00 175.97 179.96 1x6m n TYR 109 N -3.01 -1.55 -3.69 2.03 0.18 -1.22 -4.66 117.16 105.24 1x6m n TYR 109 Ca -0.29 -1.00 -0.12 0.00 1.88 0.00 0.00 57.90 58.36 1x6m n TYR 109 Cb 1.09 0.50 -0.13 0.00 -0.38 0.00 0.00 39.34 40.42 1x6m n TYR 109 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 1x6m s GLY 110 N -2.47 -0.16 -0.04 -7.48 0.00 -0.74 -0.23 107.32 96.20 1x6m s GLY 110 Ca 0.11 1.06 0.06 0.00 0.00 0.00 0.00 44.72 45.95 1x6m s GLY 110 CO 0.06 1.76 -0.21 -1.60 0.00 0.00 0.00 173.10 173.11 1x6m s ARG 111 N 1.98 2.40 -0.44 2.90 3.52 -0.46 -1.47 118.95 127.38 1x6m s ARG 111 Ca -0.03 -0.83 -0.19 0.00 -0.13 0.00 0.00 55.73 54.55 1x6m s ARG 111 Cb -0.11 -2.21 0.03 0.00 -1.56 0.00 0.00 34.95 31.09 1x6m s ARG 111 CO -0.09 0.53 0.54 0.42 -0.81 0.00 0.00 175.30 175.89 1x6m s ILE 112 N -0.52 4.96 -0.05 4.11 1.01 -1.26 -1.70 121.20 127.75 1x6m s ILE 112 Ca 0.07 -0.19 0.13 0.00 0.00 0.00 0.00 60.65 60.65 1x6m s ILE 112 Cb -0.11 -4.14 -0.14 0.00 0.01 0.00 0.00 42.46 38.08 1x6m s ILE 112 CO 0.01 -0.55 1.01 -0.33 0.00 0.00 0.00 174.94 175.08 1x6m h GLU 113 N 8.82 0.00 -6.41 2.79 4.39 -1.93 -3.41 114.58 118.82 1x6m h GLU 113 Ca -0.26 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 58.87 1x6m h GLU 113 Cb 1.10 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.70 1x6m h GLU 113 CO 0.86 0.55 1.03 1.21 -1.16 0.00 0.00 179.01 181.50 1x6m s ASN 114 N -6.22 6.51 0.60 1.42 3.84 -1.26 -4.91 114.94 114.93 1x6m s ASN 114 Ca -0.01 1.10 0.33 0.00 0.21 0.00 0.00 52.86 54.49 1x6m s ASN 114 Cb 0.09 -2.54 1.79 0.00 -0.55 0.00 0.00 41.25 40.04 1x6m s ASN 114 CO 0.80 -1.24 2.00 0.03 -2.79 0.00 0.00 177.10 175.91 1x6m h ARG 115 N 10.00 0.00 -0.01 0.43 3.08 -2.00 -2.58 114.38 123.29 1x6m h ARG 115 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.78 1x6m h ARG 115 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.16 1x6m h ARG 115 CO 1.05 0.00 -0.49 -0.25 -1.07 0.00 0.00 179.97 179.21 1x6m n ASP 116 N -2.82 1.74 -4.69 7.04 8.00 -1.26 -4.85 116.55 119.70 1x6m n ASP 116 Ca -0.02 -1.34 -0.44 0.00 0.71 0.00 0.00 54.79 53.70 1x6m n ASP 116 Cb 0.23 0.47 -0.04 0.00 -0.02 0.00 0.00 41.12 41.76 1x6m n ASP 116 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1x6m n HIS 117 N -0.29 2.53 0.20 1.24 -0.00 -0.97 -4.89 115.22 113.03 1x6m n HIS 117 Ca 0.09 0.10 0.17 0.00 0.46 0.00 0.00 57.72 58.54 1x6m n HIS 117 Cb 0.43 -2.63 0.69 0.00 -0.12 0.00 0.00 29.99 28.36 1x6m n HIS 117 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1x6m h PRO 118 N 6.82 0.00 -0.46 1.57 0.13 -1.91 0.37 132.00 138.53 1x6m h PRO 118 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1x6m h PRO 118 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1x6m h PRO 118 CO 0.93 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.89 1x6m n PHE 119 N -3.20 0.77 -1.63 1.56 0.99 -1.26 -5.00 117.46 109.70 1x6m n PHE 119 Ca 0.04 -0.56 -0.54 0.00 -0.00 0.00 0.00 57.45 56.38 1x6m n PHE 119 Cb 0.61 -0.09 -0.06 0.00 -1.00 0.00 0.00 39.48 38.94 1x6m n PHE 119 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.76 177.74 1x6m n TYR 120 N 0.70 1.65 0.00 1.38 9.36 0.12 -1.44 117.16 128.94 1x6m n TYR 120 Ca 0.17 0.62 0.00 0.00 3.32 0.00 0.00 57.90 62.02 1x6m n TYR 120 Cb 0.59 -2.36 0.00 0.00 -0.63 0.00 0.00 39.34 36.94 1x6m n TYR 120 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1x6m n GLY 121 N 3.01 0.12 3.62 2.98 0.00 -1.26 -5.06 105.19 108.60 1x6m n GLY 121 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 1x6m n GLY 121 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x6m s LEU 122 N 0.00 3.62 0.37 0.99 2.01 -0.52 -1.69 118.68 123.46 1x6m s LEU 122 Ca 0.00 0.05 -0.05 0.00 0.01 0.00 0.00 54.13 54.15 1x6m s LEU 122 Cb 0.00 -1.88 -0.05 0.00 0.01 0.00 0.00 46.19 44.27 1x6m s LEU 122 CO 0.00 0.23 0.65 -1.81 1.01 0.00 0.00 176.35 176.43 1x6m s ASP 123 N -0.00 6.38 -0.13 2.29 1.01 0.15 -4.21 116.67 122.16 1x6m s ASP 123 Ca 0.04 0.78 -0.01 0.00 0.71 0.00 0.00 52.55 54.07 1x6m s ASP 123 Cb -0.13 -2.18 -0.02 0.00 1.01 0.00 0.00 42.92 41.61 1x6m s ASP 123 CO 0.02 -0.35 -0.10 -0.36 0.21 0.00 0.00 175.17 174.59 1x6m s PHE 124 N -2.35 2.87 0.01 4.23 0.40 -0.54 -1.04 117.98 121.56 1x6m s PHE 124 Ca 0.45 -0.47 -0.02 0.00 -0.60 0.00 0.00 56.93 56.29 1x6m s PHE 124 Cb -0.10 -1.85 -0.01 0.00 0.51 0.00 0.00 43.02 41.57 1x6m s PHE 124 CO 0.35 -0.10 0.02 0.14 0.70 0.00 0.00 175.22 176.33 1x6m s VAL 125 N 0.19 0.09 -0.93 -0.44 -7.23 0.04 -1.80 120.40 110.33 1x6m s VAL 125 Ca -0.06 -0.75 -0.16 0.00 -1.81 0.00 0.00 61.98 59.20 1x6m s VAL 125 Cb -0.15 -0.28 0.18 0.00 0.56 0.00 0.00 36.38 36.70 1x6m s VAL 125 CO 0.04 -0.41 1.01 -1.00 -0.31 0.00 0.00 175.10 174.43 1x6m s HIS 126 N -1.27 3.51 -0.68 2.82 3.76 -1.26 -0.72 115.29 121.45 1x6m s HIS 126 Ca -0.14 -1.81 0.17 0.00 -0.15 0.00 0.00 55.06 53.13 1x6m s HIS 126 Cb -0.08 -4.06 0.77 0.00 1.11 0.00 0.00 32.58 30.31 1x6m s HIS 126 CO -0.00 -1.24 1.54 0.25 -0.85 0.00 0.00 174.74 174.44 1x6m n THR 127 N 4.57 1.05 0.27 1.30 -2.24 -1.26 -0.16 114.28 117.81 1x6m n THR 127 Ca 0.21 0.34 0.17 0.00 -2.27 0.00 0.00 64.05 62.49 1x6m n THR 127 Cb 0.47 -1.23 0.89 0.00 -2.10 0.00 0.00 70.33 68.36 1x6m n THR 127 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1x6m h GLU 128 N 0.00 0.00 -0.00 -0.78 4.11 -1.91 -1.80 114.58 114.20 1x6m h GLU 128 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1x6m h GLU 128 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1x6m h GLU 128 CO 0.00 0.00 -0.01 1.28 0.07 0.00 0.00 179.01 180.35 1x6m n LEU 129 N -2.71 0.02 -4.87 3.06 4.77 0.77 -4.81 117.00 113.23 1x6m n LEU 129 Ca -0.02 0.30 -0.33 0.00 -0.03 0.00 0.00 56.01 55.93 1x6m n LEU 129 Cb 0.14 -0.31 -0.05 0.00 -2.33 0.00 0.00 43.42 40.86 1x6m n LEU 129 CO 0.14 0.00 0.20 -0.55 -1.33 0.00 0.00 177.39 175.86 1x6m s SER 130 N -2.63 6.66 0.20 -1.43 0.15 -0.68 -1.60 113.70 114.38 1x6m s SER 130 Ca 0.27 0.93 0.24 0.00 0.70 0.00 0.00 55.95 58.08 1x6m s SER 130 Cb 0.20 -2.23 0.37 0.00 -1.71 0.00 0.00 66.02 62.65 1x6m s SER 130 CO 0.47 -0.02 1.40 0.44 1.20 0.00 0.00 173.24 176.73 1x6m h ASP 131 N 2.84 0.00 -4.00 5.45 3.32 -1.87 -3.46 116.42 118.69 1x6m h ASP 131 Ca -0.47 -0.10 -0.45 0.00 0.02 0.00 0.00 57.03 56.03 1x6m h ASP 131 Cb 1.18 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 1x6m h ASP 131 CO 0.68 0.05 0.30 -1.61 -1.72 0.00 0.00 179.24 176.94 1x6m s GLU 132 N -3.20 4.21 0.29 3.56 8.01 -1.26 -5.10 118.70 125.21 1x6m s GLU 132 Ca 0.06 1.06 0.08 0.00 0.01 0.00 0.00 54.97 56.17 1x6m s GLU 132 Cb 0.11 -2.25 -0.03 0.00 -4.31 0.00 0.00 34.13 27.65 1x6m s GLU 132 CO 0.70 0.01 0.20 -0.51 0.01 0.00 0.00 175.26 175.68 1x6m s ASP 133 N -2.17 5.23 0.00 -0.19 1.01 -1.26 -4.73 116.67 114.56 1x6m s ASP 133 Ca 0.60 -0.44 0.00 0.00 0.71 0.00 0.00 52.55 53.42 1x6m s ASP 133 Cb -0.10 -1.12 0.00 0.00 1.01 0.00 0.00 42.92 42.72 1x6m s ASP 133 CO 0.14 -0.17 0.00 0.61 0.21 0.00 0.00 175.17 175.96 1x6m n GLY 134 N -1.21 1.17 3.75 0.21 0.00 -1.25 -4.88 105.19 102.97 1x6m n GLY 134 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 1x6m n GLY 134 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1x6m n TRP 135 N 0.00 2.31 -1.92 1.61 7.02 -1.26 -2.53 117.44 122.67 1x6m n TRP 135 Ca 0.00 0.43 -0.37 0.00 -1.02 0.00 0.00 57.50 56.53 1x6m n TRP 135 Cb 0.00 -2.36 0.03 0.00 -2.42 0.00 0.00 31.31 26.56 1x6m n TRP 135 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1x6m s SER 136 N -0.96 5.32 0.18 -0.99 0.15 -1.26 -3.28 113.70 112.86 1x6m s SER 136 Ca 0.73 2.58 0.00 0.00 0.70 0.00 0.00 55.95 59.96 1x6m s SER 136 Cb -0.41 -2.62 -0.04 0.00 -1.71 0.00 0.00 66.02 61.24 1x6m s SER 136 CO 0.48 -1.52 0.34 0.00 1.20 0.00 0.00 173.24 173.75 1x6m s ALA 137 N -1.43 3.89 0.52 5.45 0.00 -1.26 -4.77 121.76 124.16 1x6m s ALA 137 Ca 0.73 -0.90 -0.22 0.00 0.00 0.00 0.00 51.96 51.57 1x6m s ALA 137 Cb -0.36 -1.91 -0.06 0.00 0.00 0.00 0.00 23.12 20.80 1x6m s ALA 137 CO 0.41 0.49 1.35 -1.25 0.00 0.00 0.00 175.76 176.76 1x6m s PRO 138 N -3.24 3.29 0.00 0.00 0.04 -1.26 -4.40 135.00 129.43 1x6m s PRO 138 Ca 0.37 2.22 0.00 0.00 0.04 0.00 0.00 61.00 63.63 1x6m s PRO 138 Cb -0.11 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 32.09 1x6m s PRO 138 CO 0.29 -1.07 0.00 0.39 0.04 0.00 0.00 177.00 176.65 1x6m n GLU 139 N -0.84 1.54 -3.83 4.56 1.02 -0.35 -4.85 120.64 117.88 1x6m n GLU 139 Ca 0.09 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.17 1x6m n GLU 139 Cb 0.45 -0.89 0.01 0.00 -0.02 0.00 0.00 31.44 30.99 1x6m n GLU 139 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 1x6m s PHE 140 N -1.76 0.04 -0.11 -0.32 -0.12 -1.26 -4.30 117.98 110.15 1x6m s PHE 140 Ca 0.00 -0.55 0.03 0.00 -0.05 0.00 0.00 56.93 56.36 1x6m s PHE 140 Cb 0.00 0.75 -0.00 0.00 -0.63 0.00 0.00 43.02 43.14 1x6m s PHE 140 CO 0.00 -1.19 -0.21 0.00 -0.05 0.00 0.00 175.22 173.76 1x6m s ALA 141 N -2.52 2.29 0.19 1.99 0.00 -0.82 -1.67 121.76 121.23 1x6m s ALA 141 Ca 0.17 -0.96 0.08 0.00 0.00 0.00 0.00 51.96 51.26 1x6m s ALA 141 Cb -0.04 -0.92 -0.04 0.00 0.00 0.00 0.00 23.12 22.12 1x6m s ALA 141 CO 0.07 0.26 -0.02 0.00 0.00 0.00 0.00 175.76 176.08 1x6m s ALA 142 N 0.37 3.13 -1.55 0.00 0.00 0.12 -0.60 121.76 123.22 1x6m s ALA 142 Ca -0.16 -1.45 -0.09 0.00 0.00 0.00 0.00 51.96 50.26 1x6m s ALA 142 Cb -0.17 -0.89 0.07 0.00 0.00 0.00 0.00 23.12 22.13 1x6m s ALA 142 CO 0.08 0.43 0.56 1.19 0.00 0.00 0.00 175.76 178.02 1x6m n PHE 143 N -0.24 -1.67 -0.13 0.00 3.72 0.22 -1.17 117.46 118.19 1x6m n PHE 143 Ca -0.09 0.76 -0.09 0.00 -0.05 0.00 0.00 57.45 57.98 1x6m n PHE 143 Cb 0.56 -3.32 -0.01 0.00 -0.94 0.00 0.00 39.48 35.78 1x6m n PHE 143 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1x6m h VAL 144 N -1.69 1.18 0.00 -4.37 2.07 -1.50 -2.34 116.25 109.59 1x6m h VAL 144 Ca -0.61 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 66.40 1x6m h VAL 144 Cb 1.38 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1x6m h VAL 144 CO 0.70 0.19 0.00 0.77 0.02 0.00 0.00 177.57 179.25 1x6m h SER 145 N 0.51 0.00 0.62 0.57 4.64 -1.84 -2.64 113.55 115.41 1x6m h SER 145 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1x6m h SER 145 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1x6m h SER 145 CO -0.02 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.74 1x6m n SER 146 N -2.94 0.00 0.23 4.97 7.64 -0.88 -2.10 113.62 120.53 1x6m n SER 146 Ca -0.02 0.36 0.12 0.00 1.01 0.00 0.00 58.87 60.34 1x6m n SER 146 Cb 0.12 -0.44 0.36 0.00 -1.01 0.00 0.00 64.21 63.24 1x6m n SER 146 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 1x6m h ILE 147 N 0.00 0.24 -0.61 0.44 3.07 -1.48 -2.43 117.51 116.74 1x6m h ILE 147 Ca 0.00 -1.06 -0.06 0.00 1.55 0.00 0.00 64.86 65.29 1x6m h ILE 147 Cb 0.31 1.87 -0.03 0.00 -0.27 0.00 0.00 36.82 38.71 1x6m h ILE 147 CO 0.00 0.12 0.13 0.40 -1.05 0.00 0.00 178.15 177.74 1x6m h ILE 148 N 0.00 1.25 0.00 0.16 2.04 -1.62 -2.28 117.51 117.06 1x6m h ILE 148 Ca -0.00 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 64.93 1x6m h ILE 148 Cb 0.86 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1x6m h ILE 148 CO 0.02 0.35 0.00 -0.33 0.00 0.00 0.00 178.15 178.18 1x6m h GLU 149 N 0.92 0.00 -0.59 2.37 5.08 -1.62 -0.68 114.58 120.06 1x6m h GLU 149 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1x6m h GLU 149 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1x6m h GLU 149 CO 0.00 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 178.44 1x6m n SER 150 N -2.43 3.17 0.00 1.42 7.64 -0.88 -4.94 113.62 117.61 1x6m n SER 150 Ca -0.01 -2.02 0.00 0.00 1.01 0.00 0.00 58.87 57.85 1x6m n SER 150 Cb 0.10 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 1x6m n SER 150 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x6m n GLY 151 N 1.40 0.91 3.72 0.23 0.00 -0.26 -5.08 105.19 106.11 1x6m n GLY 151 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1x6m n GLY 151 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x6m s VAL 152 N -2.00 4.32 0.22 1.61 1.01 -1.08 -5.01 120.40 119.47 1x6m s VAL 152 Ca 0.00 1.80 -0.30 0.00 0.00 0.00 0.00 61.98 63.48 1x6m s VAL 152 Cb 0.00 -4.15 -0.09 0.00 0.00 0.00 0.00 36.38 32.14 1x6m s VAL 152 CO 0.00 0.22 1.38 -0.62 0.00 0.00 0.00 175.10 176.08 1x6m s ASP 153 N 0.50 6.77 0.51 3.32 2.15 -1.26 -4.38 116.67 124.28 1x6m s ASP 153 Ca 0.52 2.53 0.34 0.00 0.43 0.00 0.00 52.55 56.37 1x6m s ASP 153 Cb -0.26 -2.61 1.84 0.00 -0.30 0.00 0.00 42.92 41.58 1x6m s ASP 153 CO 0.30 -0.62 2.05 1.55 -0.17 0.00 0.00 175.17 178.28 1x6m h PRO 154 N 5.32 0.00 0.00 4.34 0.13 -1.95 -0.84 132.00 139.00 1x6m h PRO 154 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1x6m h PRO 154 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1x6m h PRO 154 CO 0.78 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.21 1x6m h SER 155 N 0.00 0.00 0.88 1.44 4.64 -2.04 -2.73 113.55 115.73 1x6m h SER 155 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1x6m h SER 155 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1x6m h SER 155 CO 0.00 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 1x6m n ARG 156 N -2.50 0.12 0.05 4.77 1.74 -0.32 -4.48 116.66 116.04 1x6m n ARG 156 Ca 0.03 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.08 1x6m n ARG 156 Cb 0.33 -1.50 0.20 0.00 -1.02 0.00 0.00 32.46 30.47 1x6m n ARG 156 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 1x6m h MET 157 N 0.00 0.38 -0.10 5.56 2.86 -1.63 -1.95 114.93 120.05 1x6m h MET 157 Ca 0.00 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.46 1x6m h MET 157 Cb 0.44 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.08 1x6m h MET 157 CO 0.00 0.69 0.03 1.49 1.06 0.00 0.00 176.91 180.18 1x6m h GLU 158 N 0.33 0.15 -0.43 1.72 4.81 -1.81 -1.00 114.58 118.34 1x6m h GLU 158 Ca 0.04 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 1x6m h GLU 158 Cb 0.78 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.12 1x6m h GLU 158 CO 0.06 0.29 -0.11 0.00 -0.73 0.00 0.00 179.01 178.52 1x6m h ALA 159 N 0.86 1.00 0.04 2.92 0.00 -1.82 -2.27 119.26 119.99 1x6m h ALA 159 Ca 0.03 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1x6m h ALA 159 Cb 0.20 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1x6m h ALA 159 CO -0.00 0.60 -0.02 0.82 0.00 0.00 0.00 179.25 180.65 1x6m h ILE 160 N 0.71 1.05 -0.35 0.00 2.04 -1.21 0.16 117.51 119.92 1x6m h ILE 160 Ca 0.12 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 1x6m h ILE 160 Cb 0.59 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 1x6m h ILE 160 CO 0.04 0.08 0.07 0.03 0.00 0.00 0.00 178.15 178.36 1x6m h ARG 161 N -0.19 0.51 0.28 2.37 3.08 -1.23 -1.62 114.38 117.56 1x6m h ARG 161 Ca -0.01 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1x6m h ARG 161 Cb 0.17 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1x6m h ARG 161 CO 0.01 0.49 -0.13 0.00 -1.07 0.00 0.00 179.97 179.26 1x6m h ALA 162 N 1.58 -0.37 -0.96 0.04 0.00 -1.22 -2.12 119.26 116.20 1x6m h ALA 162 Ca 0.12 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 54.97 1x6m h ALA 162 Cb 0.22 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 1x6m h ALA 162 CO -0.00 -0.62 0.62 -0.09 0.00 0.00 0.00 179.25 179.16 1x6m h ARG 163 N -0.55 1.00 -0.64 0.00 9.65 -0.57 -0.70 114.38 122.57 1x6m h ARG 163 Ca -0.04 -0.06 -0.09 0.00 -1.10 0.00 0.00 59.98 58.69 1x6m h ARG 163 Cb 0.40 -0.23 -0.02 0.00 -1.39 0.00 0.00 29.97 28.73 1x6m h ARG 163 CO 0.06 0.66 0.05 -0.07 2.80 0.00 0.00 179.97 183.48 1x6m h LEU 164 N 1.03 1.07 -1.00 3.80 3.38 -1.27 -2.26 115.31 120.06 1x6m h LEU 164 Ca 0.44 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 1x6m h LEU 164 Cb 0.33 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1x6m h LEU 164 CO -0.20 1.09 -0.22 0.03 0.09 0.00 0.00 178.44 179.23 1x6m h ARG 165 N 1.01 0.45 -0.13 1.13 3.08 -0.80 0.16 114.38 119.28 1x6m h ARG 165 Ca 0.19 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 1x6m h ARG 165 Cb 0.51 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1x6m h ARG 165 CO 0.02 0.65 -0.11 0.93 -1.07 0.00 0.00 179.97 180.40 1x6m h GLU 166 N 0.41 0.21 -0.00 0.04 5.08 -0.88 -1.15 114.58 118.28 1x6m h GLU 166 Ca 0.06 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1x6m h GLU 166 Cb 0.62 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1x6m h GLU 166 CO 0.04 0.33 -0.11 1.28 -1.00 0.00 0.00 179.01 179.55 1x6m n LEU 167 N -4.31 0.32 0.00 1.33 4.77 -0.87 -4.93 117.00 113.31 1x6m n LEU 167 Ca -0.01 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1x6m n LEU 167 Cb 0.24 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1x6m n LEU 167 CO 0.37 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1x6m n GLY 168 N 1.32 0.57 3.26 -0.72 0.00 -0.44 -5.00 105.19 104.19 1x6m n GLY 168 Ca 0.13 -0.25 -0.44 0.00 0.00 0.00 0.00 46.02 45.46 1x6m n GLY 168 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x6m s LEU 169 N 0.00 6.33 0.05 0.99 1.43 0.50 -4.64 118.68 123.35 1x6m s LEU 169 Ca 0.00 -2.81 -0.30 0.00 -1.03 0.00 0.00 54.13 49.99 1x6m s LEU 169 Cb 0.00 -2.11 -0.09 0.00 0.03 0.00 0.00 46.19 44.02 1x6m s LEU 169 CO 0.00 -0.50 1.86 -0.70 0.23 0.00 0.00 176.35 177.24 1x6m s GLU 170 N -0.01 4.15 0.02 1.70 2.56 -1.26 -3.88 118.70 121.98 1x6m s GLU 170 Ca 0.19 2.52 -0.30 0.00 0.00 0.00 0.00 54.97 57.37 1x6m s GLU 170 Cb -0.13 -3.94 -0.05 0.00 2.00 0.00 0.00 34.13 32.01 1x6m s GLU 170 CO -0.08 -0.89 1.23 -1.25 -0.56 0.00 0.00 175.26 173.72 1x6m s PRO 171 N 3.79 4.38 0.14 4.30 0.04 -1.26 -1.95 135.00 144.45 1x6m s PRO 171 Ca 0.83 1.77 0.10 0.00 0.04 0.00 0.00 61.00 63.74 1x6m s PRO 171 Cb -0.42 -3.44 -0.04 0.00 0.04 0.00 0.00 34.50 30.64 1x6m s PRO 171 CO 0.38 -0.37 -0.23 0.71 0.04 0.00 0.00 177.00 177.53 1x6m s TYR 172 N 1.62 2.07 -1.40 0.56 1.51 0.23 -4.96 117.35 116.98 1x6m s TYR 172 Ca 0.59 -0.40 0.26 0.00 -1.01 0.00 0.00 57.07 56.51 1x6m s TYR 172 Cb -0.28 -1.09 0.70 0.00 -0.11 0.00 0.00 41.96 41.18 1x6m s TYR 172 CO 0.27 0.34 1.53 -0.25 -1.11 0.00 0.00 175.55 176.33 1x6m n ASP 173 N 0.68 0.73 0.00 2.29 8.00 -1.26 -1.59 116.55 125.39 1x6m n ASP 173 Ca -0.16 -0.55 0.00 0.00 0.71 0.00 0.00 54.79 54.79 1x6m n ASP 173 Cb 0.55 0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.80 1x6m n ASP 173 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x6m n ALA 174 N -1.06 0.00 -2.89 2.24 0.00 -1.26 -4.06 120.51 113.47 1x6m n ALA 174 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.42 1x6m n ALA 174 Cb 0.34 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.82 1x6m n ALA 174 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1x6m n LEU 175 N 0.00 0.00 -4.78 0.00 4.77 -1.26 -0.61 117.00 115.12 1x6m n LEU 175 Ca 0.00 -1.15 -0.32 0.00 -0.03 0.00 0.00 56.01 54.51 1x6m n LEU 175 Cb 0.00 -0.22 0.07 0.00 -2.33 0.00 0.00 43.42 40.94 1x6m n LEU 175 CO 0.00 -0.63 0.71 -0.94 -1.33 0.00 0.00 177.39 175.20 1x6m s SER 176 N -2.76 4.84 0.18 -1.43 1.04 -1.26 -4.72 113.70 109.60 1x6m s SER 176 Ca 0.30 1.83 -0.13 0.00 0.48 0.00 0.00 55.95 58.42 1x6m s SER 176 Cb -0.02 -2.52 0.16 0.00 0.10 0.00 0.00 66.02 63.74 1x6m s SER 176 CO 0.19 -1.81 1.74 -0.65 0.98 0.00 0.00 173.24 173.69 1x6m h PRO 177 N -0.73 0.31 -0.64 4.02 0.11 -1.98 -0.11 132.00 132.99 1x6m h PRO 177 Ca -0.44 -0.02 0.12 0.00 0.11 0.00 0.00 66.00 65.77 1x6m h PRO 177 Cb 1.23 -0.07 -0.12 0.00 0.11 0.00 0.00 31.00 32.15 1x6m h PRO 177 CO 0.53 0.21 -0.26 -1.35 -0.21 0.00 0.00 178.00 176.92 1x6m h PRO 178 N 0.32 -0.09 -0.59 1.05 0.11 -1.99 0.99 132.00 131.80 1x6m h PRO 178 Ca 0.23 0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.26 1x6m h PRO 178 Cb 0.26 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 1x6m h PRO 178 CO -0.25 -0.06 0.03 -0.07 -0.21 0.00 0.00 178.00 177.44 1x6m h LEU 179 N -0.09 1.00 -0.99 2.35 3.38 -1.87 0.97 115.31 120.06 1x6m h LEU 179 Ca 0.28 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1x6m h LEU 179 Cb 0.53 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1x6m h LEU 179 CO -0.70 1.05 0.22 0.24 0.09 0.00 0.00 178.44 179.34 1x6m h MET 180 N 0.93 0.95 -0.26 1.13 2.86 -0.50 -0.63 114.93 119.40 1x6m h MET 180 Ca 0.17 -0.17 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 1x6m h MET 180 Cb 0.52 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 1x6m h MET 180 CO 0.03 0.80 -0.10 -0.44 1.06 0.00 0.00 176.91 178.26 1x6m h ASP 181 N 0.92 0.54 -0.34 1.22 3.32 -0.59 -1.75 116.42 119.74 1x6m h ASP 181 Ca 0.21 -0.39 0.07 0.00 0.02 0.00 0.00 57.03 56.94 1x6m h ASP 181 Cb 0.23 -0.15 -0.07 0.00 0.22 0.00 0.00 39.33 39.56 1x6m h ASP 181 CO -0.01 0.81 -0.13 0.00 -1.72 0.00 0.00 179.24 178.18 1x6m h ALA 182 N 0.75 0.16 -0.85 3.45 0.00 -0.70 -0.22 119.26 121.85 1x6m h ALA 182 Ca 0.06 0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.17 1x6m h ALA 182 Cb 0.59 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 1x6m h ALA 182 CO 0.03 -0.51 0.52 0.82 0.00 0.00 0.00 179.25 180.12 1x6m h ILE 183 N -0.07 1.03 -0.26 0.00 2.04 -1.07 -2.58 117.51 116.61 1x6m h ILE 183 Ca 0.17 -0.33 -0.10 0.00 1.00 0.00 0.00 64.86 65.61 1x6m h ILE 183 Cb 0.33 -0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.40 1x6m h ILE 183 CO -0.39 0.17 -0.23 0.00 0.00 0.00 0.00 178.15 177.70 1x6m h ALA 184 N 1.41 0.37 -0.75 1.87 0.00 -0.45 -2.42 119.26 119.29 1x6m h ALA 184 Ca 0.37 -0.37 0.10 0.00 0.00 0.00 0.00 54.91 55.01 1x6m h ALA 184 Cb 0.19 -0.08 -0.12 0.00 0.00 0.00 0.00 17.79 17.78 1x6m h ALA 184 CO -0.18 0.34 -0.47 1.15 0.00 0.00 0.00 179.25 180.09 1x6m h THR 185 N 0.33 0.04 0.06 0.00 2.02 -1.06 0.23 112.91 114.53 1x6m h THR 185 Ca 0.04 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.25 1x6m h THR 185 Cb 0.78 0.04 -0.05 0.00 -1.74 0.00 0.00 68.15 67.19 1x6m h THR 185 CO 0.06 0.00 -0.41 -0.74 0.37 0.00 0.00 175.52 174.79 1x6m h HIS 186 N -0.14 -1.17 -0.64 3.16 6.17 -1.38 0.24 115.15 121.39 1x6m h HIS 186 Ca 0.20 0.03 0.13 0.00 0.71 0.00 0.00 60.37 61.45 1x6m h HIS 186 Cb 0.54 0.51 -0.10 0.00 2.52 0.00 0.00 27.41 30.87 1x6m h HIS 186 CO -0.82 -0.50 0.09 0.82 0.71 0.00 0.00 177.93 178.23 1x6m h ILE 187 N -0.61 0.54 -0.25 6.26 1.08 -1.26 -0.05 117.51 123.24 1x6m h ILE 187 Ca 0.03 -0.07 -0.19 0.00 -0.39 0.00 0.00 64.86 64.25 1x6m h ILE 187 Cb 0.66 0.32 0.00 0.00 -3.07 0.00 0.00 36.82 34.74 1x6m h ILE 187 CO -0.28 0.04 -0.59 0.00 -0.69 0.00 0.00 178.15 176.63 1x6m h ALA 188 N 1.55 0.48 -0.61 1.87 0.00 0.18 -1.09 119.26 121.64 1x6m h ALA 188 Ca 0.35 -0.53 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1x6m h ALA 188 Cb 0.56 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1x6m h ALA 188 CO -0.48 0.69 0.18 0.87 0.00 0.00 0.00 179.25 180.50 1x6m h LYS 189 N 0.60 0.95 -0.02 0.00 1.57 -0.41 -0.36 116.57 118.90 1x6m h LYS 189 Ca 0.00 -0.21 -0.08 0.00 -1.87 0.00 0.00 60.65 58.49 1x6m h LYS 189 Cb 1.20 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 1x6m h LYS 189 CO 0.13 0.84 -0.37 -0.09 -0.57 0.00 0.00 179.45 179.39 1x6m h ARG 190 N 0.87 0.04 -0.02 3.15 2.43 -0.85 -2.90 114.38 117.10 1x6m h ARG 190 Ca 0.19 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1x6m h ARG 190 Cb 0.30 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1x6m h ARG 190 CO -0.01 0.41 -0.10 -1.13 -1.51 0.00 0.00 179.97 177.63 1x6m n SER 191 N -4.09 2.35 0.00 -3.80 3.41 -0.43 -4.94 113.62 106.12 1x6m n SER 191 Ca -0.02 -1.72 0.00 0.00 -0.26 0.00 0.00 58.87 56.87 1x6m n SER 191 Cb 0.41 0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1x6m n SER 191 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x6m n GLY 192 N 1.32 0.87 0.25 5.00 0.00 -0.76 -4.87 105.19 107.00 1x6m n GLY 192 Ca 0.14 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.27 1x6m n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6m h ALA 193 N 0.00 1.32 -4.07 4.61 0.00 -1.39 -3.41 119.26 116.32 1x6m h ALA 193 Ca 0.00 -0.14 -0.69 0.00 0.00 0.00 0.00 54.91 54.08 1x6m h ALA 193 Cb 0.01 -0.02 -0.30 0.00 0.00 0.00 0.00 17.79 17.47 1x6m h ALA 193 CO 0.00 0.19 -0.87 -0.51 0.00 0.00 0.00 179.25 178.06 1x6m s LEU 194 N -7.46 2.15 -0.13 0.00 1.43 -0.56 -4.99 118.68 109.12 1x6m s LEU 194 Ca -0.03 -0.47 -0.29 0.00 -1.03 0.00 0.00 54.13 52.31 1x6m s LEU 194 Cb 0.13 -1.39 -0.07 0.00 0.03 0.00 0.00 46.19 44.89 1x6m s LEU 194 CO 0.61 0.26 2.12 0.00 0.23 0.00 0.00 176.35 179.57 1x6m n ALA 195 N 2.85 1.65 0.00 4.21 0.00 -1.26 -4.17 120.51 123.79 1x6m n ALA 195 Ca -0.17 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1x6m n ALA 195 Cb 0.52 -2.81 0.00 0.00 0.00 0.00 0.00 19.45 17.16 1x6m n ALA 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50