#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f1d s ARG 11 N 0.00 3.66 -0.19 1.61 0.52 -1.26 -5.01 118.95 118.27 2f1d s ARG 11 Ca 0.00 -2.21 -0.05 0.00 -0.52 0.00 0.00 55.73 52.95 2f1d s ARG 11 Cb 0.00 -4.68 -0.02 0.00 0.52 0.00 0.00 34.95 30.77 2f1d s ARG 11 CO 0.00 -1.52 -0.00 0.42 0.02 0.00 0.00 175.30 174.22 2f1d s ILE 12 N 1.24 3.96 -0.04 1.52 1.01 -1.26 -2.50 121.20 125.13 2f1d s ILE 12 Ca 0.26 -0.31 -0.02 0.00 0.00 0.00 0.00 60.65 60.58 2f1d s ILE 12 Cb -0.07 -2.78 -0.04 0.00 0.01 0.00 0.00 42.46 39.58 2f1d s ILE 12 CO -0.09 0.44 0.08 -0.83 0.00 0.00 0.00 174.94 174.54 2f1d s GLY 13 N 0.91 2.01 -0.03 6.18 0.00 -0.96 -4.56 107.32 110.87 2f1d s GLY 13 Ca 0.01 -0.81 0.01 0.00 0.00 0.00 0.00 44.72 43.92 2f1d s GLY 13 CO 0.02 -0.64 -0.02 -0.54 0.00 0.00 0.00 173.10 171.91 2f1d s GLU 14 N -1.44 0.42 -0.02 2.90 2.02 -1.26 -2.01 118.70 119.32 2f1d s GLU 14 Ca 0.20 -0.02 0.00 0.00 0.02 0.00 0.00 54.97 55.17 2f1d s GLU 14 Cb -0.12 -0.52 0.02 0.00 0.10 0.00 0.00 34.13 33.62 2f1d s GLU 14 CO 0.10 -0.07 0.01 0.08 0.02 0.00 0.00 175.26 175.40 2f1d s VAL 15 N 0.71 0.05 -0.21 2.63 1.01 -0.67 -4.92 120.40 119.00 2f1d s VAL 15 Ca -0.08 0.10 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 2f1d s VAL 15 Cb -0.11 -0.13 0.00 0.00 0.00 0.00 0.00 36.38 36.14 2f1d s VAL 15 CO -0.01 0.09 -0.09 -1.59 0.00 0.00 0.00 175.10 173.50 2f1d s LYS 16 N 0.73 3.26 -0.11 2.72 0.00 -1.26 -0.97 119.74 124.11 2f1d s LYS 16 Ca -0.07 -0.69 0.03 0.00 0.00 0.00 0.00 55.97 55.25 2f1d s LYS 16 Cb -0.09 -2.88 0.01 0.00 0.00 0.00 0.00 37.83 34.86 2f1d s LYS 16 CO -0.02 -0.20 -0.20 0.50 0.00 0.00 0.00 175.35 175.43 2f1d s ARG 17 N 1.42 2.73 -0.04 1.78 3.52 -0.15 -5.02 118.95 123.20 2f1d s ARG 17 Ca 0.06 -0.76 0.07 0.00 -0.13 0.00 0.00 55.73 54.96 2f1d s ARG 17 Cb -0.14 -2.17 -0.01 0.00 -1.56 0.00 0.00 34.95 31.07 2f1d s ARG 17 CO -0.06 0.05 -0.25 0.08 -0.81 0.00 0.00 175.30 174.31 2f1d s VAL 18 N 0.67 1.98 0.10 7.11 1.01 -1.26 -1.40 120.40 128.60 2f1d s VAL 18 Ca -0.12 -1.05 -0.08 0.00 0.00 0.00 0.00 61.98 60.73 2f1d s VAL 18 Cb -0.16 -1.66 -0.00 0.00 0.00 0.00 0.00 36.38 34.55 2f1d s VAL 18 CO 0.03 0.56 0.19 0.42 0.00 0.00 0.00 175.10 176.29 2f1d s THR 19 N -0.34 0.14 0.19 3.92 -4.23 -0.55 -5.01 115.64 109.75 2f1d s THR 19 Ca 0.02 -1.25 -0.08 0.00 -1.18 0.00 0.00 61.69 59.21 2f1d s THR 19 Cb -0.12 -1.43 0.28 0.00 1.34 0.00 0.00 72.50 72.58 2f1d s THR 19 CO 0.01 -0.61 1.11 2.29 -0.54 0.00 0.00 174.62 176.88 2f1d n LYS 20 N -0.08 -0.09 0.06 3.99 0.00 -1.26 -2.46 118.16 118.32 2f1d n LYS 20 Ca -0.14 1.10 -0.17 0.00 -0.00 0.00 0.00 58.31 59.10 2f1d n LYS 20 Cb 0.62 -1.65 -0.14 0.00 -0.00 0.00 0.00 35.03 33.87 2f1d n LYS 20 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2f1d h GLU 21 N 0.00 0.27 -3.39 -1.58 3.07 -1.98 -3.49 114.58 107.48 2f1d h GLU 21 Ca 0.31 -0.46 -0.09 0.00 -0.50 0.00 0.00 59.36 58.63 2f1d h GLU 21 Cb 0.49 0.17 -0.16 0.00 -0.84 0.00 0.00 28.75 28.41 2f1d h GLU 21 CO -0.72 1.14 -0.24 0.95 -1.40 0.00 0.00 179.01 178.73 2f1d s THR 22 N -2.61 0.09 -0.35 1.13 -4.23 -1.03 -3.22 115.64 105.42 2f1d s THR 22 Ca -0.10 -0.74 0.03 0.00 -1.18 0.00 0.00 61.69 59.70 2f1d s THR 22 Cb 0.07 -1.03 0.10 0.00 1.34 0.00 0.00 72.50 72.98 2f1d s THR 22 CO 0.85 -0.41 0.09 0.21 -0.54 0.00 0.00 174.62 174.83 2f1d s ASN 23 N -2.28 4.47 -0.11 3.99 3.84 -1.00 -1.48 114.94 122.38 2f1d s ASN 23 Ca -0.02 -2.13 -0.01 0.00 0.21 0.00 0.00 52.86 50.91 2f1d s ASN 23 Cb 0.00 -1.40 -0.03 0.00 -0.55 0.00 0.00 41.25 39.28 2f1d s ASN 23 CO -0.06 -0.37 -0.07 -0.69 -2.79 0.00 0.00 177.10 173.12 2f1d s VAL 24 N 0.94 3.62 -0.07 -5.21 1.01 -0.50 -3.33 120.40 116.87 2f1d s VAL 24 Ca 0.12 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 2f1d s VAL 24 Cb -0.20 -2.52 0.03 0.00 0.00 0.00 0.00 36.38 33.69 2f1d s VAL 24 CO -0.11 0.55 -0.02 -0.55 0.00 0.00 0.00 175.10 174.97 2f1d s SER 25 N -0.23 1.43 0.02 3.32 0.15 -0.13 -0.98 113.70 117.28 2f1d s SER 25 Ca 0.03 -0.11 0.01 0.00 0.70 0.00 0.00 55.95 56.58 2f1d s SER 25 Cb -0.13 -0.47 -0.02 0.00 -1.71 0.00 0.00 66.02 63.70 2f1d s SER 25 CO 0.03 -0.15 -0.04 -0.69 1.20 0.00 0.00 173.24 173.59 2f1d s VAL 26 N 1.65 0.23 -0.29 4.45 1.01 -0.15 -0.78 120.40 126.53 2f1d s VAL 26 Ca 0.00 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.28 2f1d s VAL 26 Cb -0.13 -0.31 0.18 0.00 0.00 0.00 0.00 36.38 36.12 2f1d s VAL 26 CO -0.04 -0.31 0.54 -0.54 0.00 0.00 0.00 175.10 174.75 2f1d s LYS 27 N -1.07 0.51 -0.19 2.72 1.02 -0.59 -1.68 119.74 120.47 2f1d s LYS 27 Ca -0.09 0.69 -0.04 0.00 0.02 0.00 0.00 55.97 56.55 2f1d s LYS 27 Cb -0.07 0.19 -0.02 0.00 -0.52 0.00 0.00 37.83 37.41 2f1d s LYS 27 CO -0.00 -0.79 -0.04 0.42 -0.92 0.00 0.00 175.35 174.01 2f1d s ILE 28 N 2.76 3.65 -0.26 2.17 1.01 -0.85 -2.61 121.20 127.07 2f1d s ILE 28 Ca 0.15 -0.42 -0.21 0.00 0.00 0.00 0.00 60.65 60.17 2f1d s ILE 28 Cb -0.13 -2.62 -0.02 0.00 0.01 0.00 0.00 42.46 39.70 2f1d s ILE 28 CO -0.23 0.46 0.64 0.21 0.00 0.00 0.00 174.94 176.02 2f1d s ASN 29 N 0.89 6.59 0.34 3.58 3.84 -0.75 -2.27 114.94 127.16 2f1d s ASN 29 Ca -0.00 0.70 0.13 0.00 0.21 0.00 0.00 52.86 53.89 2f1d s ASN 29 Cb -0.15 -2.34 0.61 0.00 -0.55 0.00 0.00 41.25 38.82 2f1d s ASN 29 CO 0.01 -0.40 1.75 -0.07 -2.79 0.00 0.00 177.10 175.61 2f1d h LEU 30 N 8.98 0.00 -4.86 3.21 3.38 -1.80 -2.39 115.31 121.83 2f1d h LEU 30 Ca -0.26 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.01 2f1d h LEU 30 Cb 1.12 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 41.54 2f1d h LEU 30 CO 0.78 0.45 0.30 0.47 0.09 0.00 0.00 178.44 180.53 2f1d n ASP 31 N -3.91 6.31 -1.99 -0.43 8.00 -1.26 -4.63 116.55 118.64 2f1d n ASP 31 Ca -0.01 -3.78 0.00 0.00 0.71 0.00 0.00 54.79 51.70 2f1d n ASP 31 Cb 0.49 -0.81 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 2f1d n ASP 31 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2f1d n GLY 32 N -0.49 1.78 0.30 0.44 0.00 -0.84 -4.96 105.19 101.42 2f1d n GLY 32 Ca 0.47 -2.11 0.03 0.00 0.00 0.00 0.00 46.02 44.41 2f1d n GLY 32 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2f1d n THR 33 N -1.04 0.69 -0.12 2.61 -2.24 -1.24 -4.69 114.28 108.24 2f1d n THR 33 Ca 0.00 -0.85 0.00 0.00 -2.27 0.00 0.00 64.05 60.93 2f1d n THR 33 Cb 0.00 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 2f1d n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2f1d n GLY 34 N 0.12 0.93 3.56 3.38 0.00 -1.25 -4.96 105.19 106.97 2f1d n GLY 34 Ca 0.05 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 2f1d n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f1d s VAL 35 N -1.92 4.42 -0.32 1.61 1.01 -1.22 -4.52 120.40 119.47 2f1d s VAL 35 Ca 0.00 0.65 -0.21 0.00 0.00 0.00 0.00 61.98 62.43 2f1d s VAL 35 Cb 0.00 -4.48 -0.00 0.00 0.00 0.00 0.00 36.38 31.90 2f1d s VAL 35 CO 0.00 -0.93 0.66 0.00 0.00 0.00 0.00 175.10 174.83 2f1d s ALA 36 N 3.87 3.51 -0.41 5.51 0.00 -1.26 -1.43 121.76 131.55 2f1d s ALA 36 Ca 0.36 -0.65 0.09 0.00 0.00 0.00 0.00 51.96 51.76 2f1d s ALA 36 Cb -0.10 -3.16 0.34 0.00 0.00 0.00 0.00 23.12 20.20 2f1d s ALA 36 CO 0.25 -1.16 0.97 -3.47 0.00 0.00 0.00 175.76 172.35 2f1d n ASP 37 N 5.99 -0.90 -4.29 0.00 4.64 -0.78 -5.03 116.55 116.18 2f1d n ASP 37 Ca -0.00 -3.32 -0.32 0.00 -1.38 0.00 0.00 54.79 49.77 2f1d n ASP 37 Cb 0.49 0.77 -0.16 0.00 -1.04 0.00 0.00 41.12 41.17 2f1d n ASP 37 CO 0.00 0.00 0.00 -0.44 -0.82 0.00 0.00 177.20 175.94 2f1d s SER 38 N -1.81 3.33 -0.35 1.67 0.01 -1.26 -2.74 113.70 112.56 2f1d s SER 38 Ca 0.29 -0.47 -0.00 0.00 1.31 0.00 0.00 55.95 57.08 2f1d s SER 38 Cb 0.33 -1.17 0.12 0.00 0.21 0.00 0.00 66.02 65.50 2f1d s SER 38 CO -0.06 0.21 0.16 -0.55 0.41 0.00 0.00 173.24 173.41 2f1d s SER 39 N 0.05 3.68 0.05 2.44 0.15 -0.69 -4.91 113.70 114.47 2f1d s SER 39 Ca -0.09 -1.94 0.23 0.00 0.70 0.00 0.00 55.95 54.85 2f1d s SER 39 Cb -0.15 -0.76 -0.06 0.00 -1.71 0.00 0.00 66.02 63.34 2f1d s SER 39 CO 0.06 -0.36 0.91 -1.54 1.20 0.00 0.00 173.24 173.50 2f1d n SER 40 N 4.43 0.55 0.00 5.45 3.41 -1.26 -2.34 113.62 123.86 2f1d n SER 40 Ca 0.03 -0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 2f1d n SER 40 Cb 0.39 1.01 0.00 0.00 -0.26 0.00 0.00 64.21 65.35 2f1d n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2f1d n GLY 41 N 1.33 1.09 3.04 5.00 0.00 -1.26 -4.31 105.19 110.08 2f1d n GLY 41 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 2f1d n GLY 41 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2f1d s ILE 42 N -2.74 2.69 0.31 -0.61 1.01 -1.26 -5.02 121.20 115.58 2f1d s ILE 42 Ca 0.00 -2.47 0.08 0.00 0.00 0.00 0.00 60.65 58.26 2f1d s ILE 42 Cb 0.00 -2.91 0.30 0.00 0.01 0.00 0.00 42.46 39.87 2f1d s ILE 42 CO 0.00 -0.67 1.75 -0.65 0.00 0.00 0.00 174.94 175.37 2f1d h PRO 43 N 7.51 0.65 -0.04 2.79 0.11 -2.00 -2.44 132.00 138.59 2f1d h PRO 43 Ca -0.07 -0.04 -0.22 0.00 0.11 0.00 0.00 66.00 65.78 2f1d h PRO 43 Cb 1.00 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 31.97 2f1d h PRO 43 CO 0.61 0.43 -0.89 0.35 -0.21 0.00 0.00 178.00 178.29 2f1d h PHE 44 N 0.67 0.76 -0.16 0.65 3.57 -1.95 -2.47 116.94 118.01 2f1d h PHE 44 Ca 0.61 -0.38 -0.08 0.00 3.53 0.00 0.00 57.97 61.65 2f1d h PHE 44 Cb 1.06 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 2f1d h PHE 44 CO -0.01 1.20 -0.27 1.25 -2.23 0.00 0.00 178.31 178.25 2f1d h LEU 45 N 0.33 0.29 -0.27 0.59 5.85 -1.93 -1.17 115.31 118.99 2f1d h LEU 45 Ca -0.07 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 2f1d h LEU 45 Cb 1.51 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.46 2f1d h LEU 45 CO 0.16 0.56 0.00 0.44 -0.34 0.00 0.00 178.44 179.26 2f1d h ASP 46 N 0.26 0.47 -0.79 1.25 3.32 -1.40 0.96 116.42 120.49 2f1d h ASP 46 Ca 0.04 -0.31 0.15 0.00 0.02 0.00 0.00 57.03 56.94 2f1d h ASP 46 Cb 0.61 -0.13 -0.06 0.00 0.22 0.00 0.00 39.33 39.98 2f1d h ASP 46 CO 0.04 0.67 0.53 -0.74 -1.72 0.00 0.00 179.24 178.02 2f1d h HIS 47 N 0.27 0.55 0.09 4.55 2.76 -1.03 0.24 115.15 122.59 2f1d h HIS 47 Ca 0.08 0.02 -0.28 0.00 -2.20 0.00 0.00 60.37 57.98 2f1d h HIS 47 Cb 0.42 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.20 2f1d h HIS 47 CO 0.04 0.20 -1.38 0.52 -1.30 0.00 0.00 177.93 176.01 2f1d h MET 48 N 0.47 0.19 0.00 5.26 2.86 -0.88 -2.86 114.93 119.97 2f1d h MET 48 Ca 0.39 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2f1d h MET 48 Cb 0.85 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.63 2f1d h MET 48 CO -0.14 1.07 0.00 -0.07 1.06 0.00 0.00 176.91 178.83 2f1d h LEU 49 N 0.05 0.00 0.06 1.22 3.38 -0.37 -1.78 115.31 117.88 2f1d h LEU 49 Ca -0.18 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.53 2f1d h LEU 49 Cb 1.96 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.71 2f1d h LEU 49 CO 0.16 0.00 -1.17 0.44 0.09 0.00 0.00 178.44 177.96 2f1d h ASP 50 N 0.00 0.38 0.83 -0.43 5.19 -0.49 -2.98 116.42 118.92 2f1d h ASP 50 Ca 0.00 -0.39 -0.17 0.00 -0.62 0.00 0.00 57.03 55.85 2f1d h ASP 50 Cb 0.59 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.95 2f1d h ASP 50 CO 0.00 1.29 -0.83 1.56 -3.12 0.00 0.00 179.24 178.14 2f1d h GLN 51 N 0.08 0.00 -0.22 3.56 1.08 -1.34 -2.37 115.11 115.89 2f1d h GLN 51 Ca -0.11 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.08 2f1d h GLN 51 Cb 1.89 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.31 2f1d h GLN 51 CO 0.19 0.83 0.11 1.25 -0.95 0.00 0.00 178.83 180.25 2f1d h LEU 52 N 0.00 0.29 -0.10 1.46 5.85 -1.32 -1.85 115.31 119.64 2f1d h LEU 52 Ca -0.01 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 2f1d h LEU 52 Cb 1.47 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.42 2f1d h LEU 52 CO 0.11 0.33 0.05 0.00 -0.34 0.00 0.00 178.44 178.59 2f1d h ALA 53 N 0.97 0.13 -0.30 1.25 0.00 -1.54 -2.77 119.26 116.99 2f1d h ALA 53 Ca 0.08 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2f1d h ALA 53 Cb 0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2f1d h ALA 53 CO -0.01 -0.34 -0.12 1.03 0.00 0.00 0.00 179.25 179.81 2f1d h SER 54 N 0.07 0.50 0.00 0.00 0.87 -1.14 -1.68 113.55 112.16 2f1d h SER 54 Ca 0.03 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 2f1d h SER 54 Cb 0.07 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 2f1d h SER 54 CO -0.01 0.66 -1.40 1.41 -0.53 0.00 0.00 176.83 176.96 2f1d n HIS 55 N -4.20 0.00 -0.94 2.24 8.25 -0.72 -4.29 115.22 115.55 2f1d n HIS 55 Ca 0.01 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.55 2f1d n HIS 55 Cb 0.32 -0.23 0.13 0.00 1.12 0.00 0.00 29.99 31.33 2f1d n HIS 55 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2f1d n GLY 56 N 1.43 4.62 3.07 -1.41 0.00 -1.05 -4.17 105.19 107.69 2f1d n GLY 56 Ca -0.00 -1.01 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 2f1d n GLY 56 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2f1d n LEU 57 N -1.27 -0.25 -4.82 0.99 4.77 -0.64 -4.69 117.00 111.08 2f1d n LEU 57 Ca 0.15 -0.05 -0.36 0.00 -0.03 0.00 0.00 56.01 55.72 2f1d n LEU 57 Cb 0.61 -1.15 -0.06 0.00 -2.33 0.00 0.00 43.42 40.49 2f1d n LEU 57 CO 0.02 0.03 0.37 -0.36 -1.33 0.00 0.00 177.39 176.12 2f1d s PHE 58 N -2.33 3.67 -0.07 -1.77 0.40 -1.15 -1.99 117.98 114.74 2f1d s PHE 58 Ca 0.25 1.32 -0.24 0.00 -0.60 0.00 0.00 56.93 57.66 2f1d s PHE 58 Cb -0.15 -2.56 -0.03 0.00 0.51 0.00 0.00 43.02 40.78 2f1d s PHE 58 CO 0.31 0.39 0.75 -0.51 0.70 0.00 0.00 175.22 176.86 2f1d s ASP 59 N -1.58 7.03 -0.14 1.36 1.01 -0.90 -3.43 116.67 120.02 2f1d s ASP 59 Ca 0.40 1.25 0.00 0.00 0.71 0.00 0.00 52.55 54.91 2f1d s ASP 59 Cb -0.17 -2.44 0.03 0.00 1.01 0.00 0.00 42.92 41.35 2f1d s ASP 59 CO 0.21 -0.16 -0.11 -0.69 0.21 0.00 0.00 175.17 174.63 2f1d s VAL 60 N 0.97 1.33 -0.23 -1.27 1.01 -0.52 -1.80 120.40 119.89 2f1d s VAL 60 Ca 0.39 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.87 2f1d s VAL 60 Cb -0.18 -1.30 0.06 0.00 0.00 0.00 0.00 36.38 34.95 2f1d s VAL 60 CO 0.19 0.39 -0.06 -2.28 0.00 0.00 0.00 175.10 173.34 2f1d s HIS 61 N 1.58 2.44 0.01 5.22 2.46 -1.07 -1.87 115.29 124.06 2f1d s HIS 61 Ca 0.04 -1.76 0.06 0.00 0.47 0.00 0.00 55.06 53.88 2f1d s HIS 61 Cb -0.13 -1.60 -0.02 0.00 -0.13 0.00 0.00 32.58 30.70 2f1d s HIS 61 CO -0.09 -0.77 -0.17 0.08 -2.47 0.00 0.00 174.74 171.31 2f1d s VAL 62 N 1.38 1.39 -0.05 0.89 1.01 -1.11 -1.54 120.40 122.37 2f1d s VAL 62 Ca -0.05 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 2f1d s VAL 62 Cb -0.18 -1.18 0.04 0.00 0.00 0.00 0.00 36.38 35.05 2f1d s VAL 62 CO -0.06 0.27 0.10 -0.60 0.00 0.00 0.00 175.10 174.81 2f1d s ARG 63 N -0.72 0.02 0.02 2.72 6.06 0.04 -1.70 118.95 125.39 2f1d s ARG 63 Ca 0.06 0.36 -0.09 0.00 -2.50 0.00 0.00 55.73 53.55 2f1d s ARG 63 Cb -0.07 -0.26 0.01 0.00 0.06 0.00 0.00 34.95 34.68 2f1d s ARG 63 CO 0.00 -0.22 0.19 0.00 -2.50 0.00 0.00 175.30 172.78 2f1d s ALA 64 N 1.49 -0.40 -0.27 6.12 0.00 -0.99 -0.96 121.76 126.75 2f1d s ALA 64 Ca -0.05 -0.15 -0.00 0.00 0.00 0.00 0.00 51.96 51.75 2f1d s ALA 64 Cb -0.12 0.20 0.16 0.00 0.00 0.00 0.00 23.12 23.35 2f1d s ALA 64 CO -0.05 -0.30 0.45 0.99 0.00 0.00 0.00 175.76 176.85 2f1d s THR 65 N -2.02 -0.72 0.23 0.00 2.01 -1.21 -4.36 115.64 109.57 2f1d s THR 65 Ca -0.09 -0.12 0.03 0.00 0.31 0.00 0.00 61.69 61.82 2f1d s THR 65 Cb -0.04 -0.92 -0.01 0.00 0.01 0.00 0.00 72.50 71.54 2f1d s THR 65 CO -0.01 -0.14 0.25 0.61 -0.69 0.00 0.00 174.62 174.64 2f1d n GLY 66 N 5.38 2.95 0.31 4.40 0.00 -1.26 -2.36 105.19 114.61 2f1d n GLY 66 Ca -0.01 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.29 2f1d n GLY 66 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2f1d n ASP 67 N -1.98 0.00 -0.30 1.61 8.00 -1.20 -4.47 116.55 118.21 2f1d n ASP 67 Ca 0.04 0.00 0.34 0.00 0.71 0.00 0.00 54.79 55.88 2f1d n ASP 67 Cb 0.41 0.00 0.62 0.00 -0.02 0.00 0.00 41.12 42.13 2f1d n ASP 67 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2f1d h VAL 68 N 0.00 0.11 -0.49 2.53 2.07 -1.94 0.68 116.25 119.21 2f1d h VAL 68 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 2f1d h VAL 68 Cb 0.00 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 29.90 2f1d h VAL 68 CO 0.00 0.00 0.17 1.12 0.02 0.00 0.00 177.57 178.88 2f1d h HIS 69 N 0.00 0.71 0.21 1.57 2.07 -2.02 -3.22 115.15 114.48 2f1d h HIS 69 Ca 0.57 -0.04 -0.01 0.00 -2.85 0.00 0.00 60.37 58.04 2f1d h HIS 69 Cb 2.78 -0.22 0.00 0.00 2.57 0.00 0.00 27.41 32.55 2f1d h HIS 69 CO 0.00 0.57 -0.10 0.82 -3.07 0.00 0.00 177.93 176.15 2f1d h ILE 70 N 0.70 0.76 -1.59 6.12 2.04 -0.00 -3.50 117.51 122.05 2f1d h ILE 70 Ca 0.17 -0.96 0.16 0.00 1.00 0.00 0.00 64.86 65.23 2f1d h ILE 70 Cb 0.18 1.23 -0.21 0.00 -0.74 0.00 0.00 36.82 37.28 2f1d h ILE 70 CO -0.01 0.18 0.68 -0.62 0.00 0.00 0.00 178.15 178.38 2f1d s ASP 71 N -5.34 -0.24 0.00 1.72 -1.08 -1.20 -5.02 116.67 105.51 2f1d s ASP 71 Ca -0.13 0.15 0.31 0.00 -0.52 0.00 0.00 52.55 52.36 2f1d s ASP 71 Cb 0.01 0.23 1.74 0.00 -1.46 0.00 0.00 42.92 43.43 2f1d s ASP 71 CO 0.48 -0.31 2.14 0.47 0.52 0.00 0.00 175.17 178.47 2f1d n ASP 72 N 0.27 0.14 0.11 -0.34 8.00 -1.26 -3.82 116.55 119.64 2f1d n ASP 72 Ca -0.05 -0.85 -0.13 0.00 0.71 0.00 0.00 54.79 54.47 2f1d n ASP 72 Cb 0.59 -0.06 -0.08 0.00 -0.02 0.00 0.00 41.12 41.55 2f1d n ASP 72 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 2f1d h HIS 73 N 0.20 -0.26 -0.73 1.24 2.76 -1.95 -2.26 115.15 114.15 2f1d h HIS 73 Ca 0.00 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.10 2f1d h HIS 73 Cb 0.11 0.09 -0.03 0.00 1.55 0.00 0.00 27.41 29.13 2f1d h HIS 73 CO 0.00 0.06 0.21 0.45 -1.30 0.00 0.00 177.93 177.36 2f1d h HIS 74 N -0.60 1.19 0.06 5.26 3.86 -1.96 -1.81 115.15 121.16 2f1d h HIS 74 Ca -0.03 -0.13 -0.00 0.00 -1.16 0.00 0.00 60.37 59.05 2f1d h HIS 74 Cb 0.44 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.57 2f1d h HIS 74 CO 0.02 0.95 -0.03 1.15 0.86 0.00 0.00 177.93 180.88 2f1d h THR 75 N 1.09 1.22 -0.98 2.45 2.02 -1.86 -2.38 112.91 114.47 2f1d h THR 75 Ca 0.23 -1.04 0.21 0.00 0.77 0.00 0.00 66.41 66.58 2f1d h THR 75 Cb 0.33 1.88 -0.11 0.00 -1.74 0.00 0.00 68.15 68.51 2f1d h THR 75 CO -0.00 0.26 0.56 -1.13 0.37 0.00 0.00 175.52 175.58 2f1d h ASN 76 N -0.56 0.67 -0.13 4.18 -0.73 -1.35 -2.06 115.58 115.61 2f1d h ASN 76 Ca -0.01 0.12 -0.19 0.00 1.87 0.00 0.00 56.30 58.08 2f1d h ASN 76 Cb 0.48 0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.08 2f1d h ASN 76 CO 0.01 0.18 -0.64 -0.08 -0.37 0.00 0.00 177.43 176.53 2f1d h GLU 77 N 0.65 0.75 0.00 6.67 4.81 -1.17 -2.54 114.58 123.75 2f1d h GLU 77 Ca 0.59 -0.53 -0.13 0.00 -0.13 0.00 0.00 59.36 59.16 2f1d h GLU 77 Cb 1.00 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 2f1d h GLU 77 CO -0.43 1.15 -0.64 -0.44 -0.73 0.00 0.00 179.01 177.92 2f1d h ASP 78 N 0.55 0.00 -0.06 1.04 3.32 -1.03 -1.37 116.42 118.87 2f1d h ASP 78 Ca -0.01 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 2f1d h ASP 78 Cb 1.24 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.79 2f1d h ASP 78 CO 0.13 0.64 -0.07 0.40 -1.72 0.00 0.00 179.24 178.62 2f1d h ILE 79 N 0.00 1.39 0.08 0.35 2.04 -1.43 -1.95 117.51 118.00 2f1d h ILE 79 Ca -0.01 -1.27 0.02 0.00 1.00 0.00 0.00 64.86 64.60 2f1d h ILE 79 Cb 1.39 2.11 -0.05 0.00 -0.74 0.00 0.00 36.82 39.54 2f1d h ILE 79 CO 0.08 0.35 -0.36 0.00 0.00 0.00 0.00 178.15 178.23 2f1d h ALA 80 N 0.53 -0.59 0.00 1.87 0.00 -1.43 0.40 119.26 120.03 2f1d h ALA 80 Ca 0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2f1d h ALA 80 Cb 0.60 0.60 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 2f1d h ALA 80 CO 0.02 -0.90 -0.01 -0.07 0.00 0.00 0.00 179.25 178.29 2f1d h LEU 81 N -0.56 0.00 0.06 0.00 3.38 -1.33 -2.51 115.31 114.35 2f1d h LEU 81 Ca 0.04 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 2f1d h LEU 81 Cb 0.61 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.37 2f1d h LEU 81 CO -0.23 0.01 -0.43 0.00 0.09 0.00 0.00 178.44 177.88 2f1d h ALA 82 N 1.99 -0.02 -0.78 1.53 0.00 -0.51 -3.22 119.26 118.25 2f1d h ALA 82 Ca -0.00 -0.63 -0.04 0.00 0.00 0.00 0.00 54.91 54.24 2f1d h ALA 82 Cb 0.17 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2f1d h ALA 82 CO 0.00 0.21 0.32 0.82 0.00 0.00 0.00 179.25 180.60 2f1d h ILE 83 N -0.72 1.26 -0.70 0.00 2.04 -0.68 0.10 117.51 118.81 2f1d h ILE 83 Ca -0.08 -0.79 0.01 0.00 1.00 0.00 0.00 64.86 64.99 2f1d h ILE 83 Cb 1.30 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 2f1d h ILE 83 CO 0.06 0.33 0.46 1.23 0.00 0.00 0.00 178.15 180.23 2f1d h GLY 84 N 1.15 0.99 1.46 5.37 0.00 -1.63 0.99 103.07 111.41 2f1d h GLY 84 Ca 0.26 -0.37 -0.06 0.00 0.00 0.00 0.00 47.33 47.17 2f1d h GLY 84 CO -0.02 0.36 0.00 -0.84 0.00 0.00 0.00 176.54 176.04 2f1d h THR 85 N 0.95 1.22 -0.39 4.70 2.02 -1.41 -2.18 112.91 117.82 2f1d h THR 85 Ca 0.26 -0.90 -0.10 0.00 0.77 0.00 0.00 66.41 66.44 2f1d h THR 85 Cb -0.10 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 2f1d h THR 85 CO -0.06 0.31 -0.15 0.00 0.37 0.00 0.00 175.52 176.00 2f1d h ALA 86 N 1.38 1.01 -0.23 6.16 0.00 -0.03 -2.08 119.26 125.46 2f1d h ALA 86 Ca 0.13 -0.33 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 2f1d h ALA 86 Cb 0.39 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2f1d h ALA 86 CO 0.01 0.59 -0.52 1.25 0.00 0.00 0.00 179.25 180.58 2f1d h LEU 87 N 0.64 0.74 -0.12 0.00 5.85 -0.52 -0.99 115.31 120.90 2f1d h LEU 87 Ca 0.10 -0.38 -0.09 0.00 0.84 0.00 0.00 57.88 58.35 2f1d h LEU 87 Cb 0.62 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.44 2f1d h LEU 87 CO 0.04 1.12 -0.28 0.25 -0.34 0.00 0.00 178.44 179.24 2f1d h LEU 88 N 0.52 0.44 -1.61 2.25 5.85 -1.20 -0.96 115.31 120.60 2f1d h LEU 88 Ca 0.02 -0.58 -0.02 0.00 0.84 0.00 0.00 57.88 58.14 2f1d h LEU 88 Cb 1.08 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 2f1d h LEU 88 CO 0.11 0.94 0.00 0.11 -0.34 0.00 0.00 178.44 179.26 2f1d h LYS 89 N -0.03 0.24 0.00 1.25 1.57 -1.40 -3.08 116.57 115.12 2f1d h LYS 89 Ca -0.00 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.58 2f1d h LYS 89 Cb 0.88 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 2f1d h LYS 89 CO 0.06 0.27 -0.79 0.00 -0.57 0.00 0.00 179.45 178.42 2f1d h ALA 90 N 1.77 0.59 0.00 3.86 0.00 -0.69 -3.28 119.26 121.51 2f1d h ALA 90 Ca 0.06 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2f1d h ALA 90 Cb 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2f1d h ALA 90 CO 0.00 0.98 0.00 1.28 0.00 0.00 0.00 179.25 181.52 2f1d n LEU 91 N -3.45 0.07 0.00 0.00 4.77 -0.41 -4.44 117.00 113.54 2f1d n LEU 91 Ca 0.00 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 2f1d n LEU 91 Cb 0.80 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 2f1d n LEU 91 CO 0.44 -0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 2f1d n GLY 92 N 0.69 2.38 1.51 -0.72 0.00 -1.24 -2.26 105.19 105.55 2f1d n GLY 92 Ca 0.05 -0.37 0.07 0.00 0.00 0.00 0.00 46.02 45.78 2f1d n GLY 92 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2f1d n GLU 93 N 13.31 3.68 -1.93 1.61 -0.00 -1.26 -4.94 120.64 131.12 2f1d n GLU 93 Ca 0.00 -2.54 -0.18 0.00 -0.00 0.00 0.00 57.16 54.44 2f1d n GLU 93 Cb 0.00 -1.93 -0.05 0.00 -0.00 0.00 0.00 31.44 29.47 2f1d n GLU 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2f1d n ARG 94 N 0.81 -1.37 -2.19 3.44 1.74 -0.96 -4.92 116.66 113.22 2f1d n ARG 94 Ca 0.23 1.03 -0.42 0.00 -0.77 0.00 0.00 57.85 57.91 2f1d n ARG 94 Cb 0.88 -5.42 -0.03 0.00 -1.02 0.00 0.00 32.46 26.87 2f1d n ARG 94 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2f1d s LYS 95 N -4.22 4.23 0.00 5.56 -0.14 -1.26 -3.61 119.74 120.30 2f1d s LYS 95 Ca 0.00 1.98 0.00 0.00 -1.36 0.00 0.00 55.97 56.59 2f1d s LYS 95 Cb 0.00 -3.79 0.00 0.00 -1.68 0.00 0.00 37.83 32.36 2f1d s LYS 95 CO 0.00 -0.72 0.00 0.41 -0.76 0.00 0.00 175.35 174.28 2f1d n GLY 96 N 3.84 0.68 3.78 -3.33 0.00 -1.26 -5.02 105.19 103.88 2f1d n GLY 96 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 2f1d n GLY 96 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2f1d s ILE 97 N -2.84 4.31 0.30 -0.61 -4.36 -1.24 -1.38 121.20 115.38 2f1d s ILE 97 Ca 0.00 1.71 0.02 0.00 -0.26 0.00 0.00 60.65 62.12 2f1d s ILE 97 Cb 0.00 -4.08 0.38 0.00 1.25 0.00 0.00 42.46 40.01 2f1d s ILE 97 CO 0.00 0.35 1.59 0.78 0.24 0.00 0.00 174.94 177.90 2f1d h ASN 98 N 3.78 -0.34 0.00 4.36 2.35 -1.47 -3.44 115.58 120.82 2f1d h ASN 98 Ca -0.47 0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 2f1d h ASN 98 Cb 1.20 0.42 0.00 0.00 0.05 0.00 0.00 38.32 39.99 2f1d h ASN 98 CO 0.66 -0.31 0.00 -1.14 -1.65 0.00 0.00 177.43 174.99 2f1d n ARG 99 N -5.42 0.00 -3.81 0.81 0.63 -0.72 -4.94 116.66 103.21 2f1d n ARG 99 Ca 0.23 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.82 2f1d n ARG 99 Cb 0.75 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.61 2f1d n ARG 99 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2f1d s PHE 100 N -0.20 3.56 0.04 -0.14 0.40 -1.26 -1.59 117.98 118.78 2f1d s PHE 100 Ca 0.00 0.49 0.05 0.00 -0.60 0.00 0.00 56.93 56.87 2f1d s PHE 100 Cb 0.00 -1.93 -0.02 0.00 0.51 0.00 0.00 43.02 41.58 2f1d s PHE 100 CO 0.00 0.62 -0.14 0.20 0.70 0.00 0.00 175.22 176.60 2f1d s GLY 101 N -1.82 0.76 -0.18 4.36 0.00 -0.93 -3.72 107.32 105.79 2f1d s GLY 101 Ca 0.28 -0.80 -0.07 0.00 0.00 0.00 0.00 44.72 44.13 2f1d s GLY 101 CO 0.17 -0.77 0.39 -0.35 0.00 0.00 0.00 173.10 172.54 2f1d s ASP 102 N -1.10 -0.25 -0.17 1.64 2.15 -1.26 -1.23 116.67 116.45 2f1d s ASP 102 Ca 0.01 0.91 -0.28 0.00 0.43 0.00 0.00 52.55 53.62 2f1d s ASP 102 Cb -0.08 1.09 0.08 0.00 -0.30 0.00 0.00 42.92 43.71 2f1d s ASP 102 CO 0.01 -0.22 0.74 0.12 -0.17 0.00 0.00 175.17 175.65 2f1d s PHE 103 N 2.22 -0.68 -0.16 -5.34 5.36 -0.61 -4.87 117.98 113.89 2f1d s PHE 103 Ca -0.04 1.45 0.01 0.00 -0.96 0.00 0.00 56.93 57.39 2f1d s PHE 103 Cb -0.11 0.35 0.02 0.00 -0.34 0.00 0.00 43.02 42.94 2f1d s PHE 103 CO -0.12 -0.46 -0.15 0.99 -1.46 0.00 0.00 175.22 174.01 2f1d s THR 104 N -0.39 1.69 -0.05 0.12 2.01 -1.26 -0.72 115.64 117.03 2f1d s THR 104 Ca -0.05 -0.72 0.06 0.00 0.31 0.00 0.00 61.69 61.29 2f1d s THR 104 Cb -0.03 -1.57 -0.01 0.00 0.01 0.00 0.00 72.50 70.89 2f1d s THR 104 CO 0.04 0.47 -0.23 0.00 -0.69 0.00 0.00 174.62 174.21 2f1d s ALA 105 N 1.44 2.25 0.21 7.40 0.00 -0.56 -4.96 121.76 127.53 2f1d s ALA 105 Ca 0.05 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 50.97 2f1d s ALA 105 Cb -0.13 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.24 2f1d s ALA 105 CO -0.11 0.45 0.37 -1.25 0.00 0.00 0.00 175.76 175.21 2f1d s PRO 106 N -0.29 3.48 -0.31 0.00 0.04 -1.26 -1.85 135.00 134.82 2f1d s PRO 106 Ca 0.00 -0.48 -0.02 0.00 0.04 0.00 0.00 61.00 60.54 2f1d s PRO 106 Cb -0.13 -2.87 0.10 0.00 0.04 0.00 0.00 34.50 31.65 2f1d s PRO 106 CO 0.03 0.41 0.12 -1.17 0.04 0.00 0.00 177.00 176.43 2f1d s LEU 107 N -3.50 1.55 0.00 -3.56 2.96 -0.91 -4.95 118.68 110.26 2f1d s LEU 107 Ca 0.37 -1.54 0.00 0.00 -0.22 0.00 0.00 54.13 52.74 2f1d s LEU 107 Cb -0.11 -0.65 0.00 0.00 0.50 0.00 0.00 46.19 45.93 2f1d s LEU 107 CO 0.30 -0.42 0.00 0.47 -1.32 0.00 0.00 176.35 175.38 2f1d n ASP 108 N 4.96 0.00 0.19 3.68 8.00 -1.26 -2.11 116.55 130.01 2f1d n ASP 108 Ca -0.03 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.55 2f1d n ASP 108 Cb 0.42 0.00 0.24 0.00 -0.02 0.00 0.00 41.12 41.76 2f1d n ASP 108 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 2f1d h GLU 109 N 0.00 0.00 -7.20 -1.24 9.09 -1.97 -3.45 114.58 109.81 2f1d h GLU 109 Ca 0.00 0.00 -0.49 0.00 0.05 0.00 0.00 59.36 58.92 2f1d h GLU 109 Cb 0.00 0.00 0.06 0.00 -1.65 0.00 0.00 28.75 27.16 2f1d h GLU 109 CO 0.00 0.26 0.38 0.00 0.05 0.00 0.00 179.01 179.70 2f1d s ALA 110 N -3.28 2.80 -0.29 1.06 0.00 -0.90 -3.35 121.76 117.80 2f1d s ALA 110 Ca 0.03 0.34 -0.01 0.00 0.00 0.00 0.00 51.96 52.33 2f1d s ALA 110 Cb 0.08 -3.21 0.19 0.00 0.00 0.00 0.00 23.12 20.18 2f1d s ALA 110 CO 0.68 -0.71 0.75 -1.17 0.00 0.00 0.00 175.76 175.31 2f1d s LEU 111 N -4.45 -1.18 0.01 0.00 2.96 -1.02 -2.15 118.68 112.85 2f1d s LEU 111 Ca 0.63 0.27 0.02 0.00 -0.22 0.00 0.00 54.13 54.83 2f1d s LEU 111 Cb -0.15 1.80 -0.04 0.00 0.50 0.00 0.00 46.19 48.31 2f1d s LEU 111 CO 0.36 -0.22 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.53 2f1d s ILE 112 N 2.88 4.00 -0.14 6.68 -1.09 -0.77 -1.91 121.20 130.85 2f1d s ILE 112 Ca 0.15 -0.68 -0.01 0.00 -2.23 0.00 0.00 60.65 57.88 2f1d s ILE 112 Cb -0.09 -2.78 -0.02 0.00 -1.58 0.00 0.00 42.46 38.00 2f1d s ILE 112 CO -0.23 0.36 -0.12 -2.28 -1.23 0.00 0.00 174.94 171.44 2f1d s HIS 113 N -1.08 2.84 -0.11 3.97 5.65 0.04 -1.50 115.29 125.10 2f1d s HIS 113 Ca 0.19 -0.64 0.02 0.00 0.25 0.00 0.00 55.06 54.88 2f1d s HIS 113 Cb -0.11 -1.87 0.01 0.00 -1.18 0.00 0.00 32.58 29.43 2f1d s HIS 113 CO 0.10 -0.22 -0.17 0.08 -0.65 0.00 0.00 174.74 173.88 2f1d s VAL 114 N 0.43 1.62 -0.07 0.89 1.01 0.10 -0.90 120.40 123.48 2f1d s VAL 114 Ca -0.09 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.21 2f1d s VAL 114 Cb -0.16 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.76 2f1d s VAL 114 CO 0.05 0.46 -0.19 -0.55 0.00 0.00 0.00 175.10 174.87 2f1d s SER 115 N 0.92 2.45 0.30 3.32 0.15 -0.82 -1.58 113.70 118.44 2f1d s SER 115 Ca -0.07 -0.42 -0.00 0.00 0.70 0.00 0.00 55.95 56.15 2f1d s SER 115 Cb -0.15 -0.95 -0.02 0.00 -1.71 0.00 0.00 66.02 63.19 2f1d s SER 115 CO -0.01 0.13 0.34 -1.48 1.20 0.00 0.00 173.24 173.42 2f1d s LEU 116 N 0.30 1.21 -0.23 3.45 0.05 -0.36 -1.66 118.68 121.43 2f1d s LEU 116 Ca -0.12 -1.50 -0.08 0.00 0.05 0.00 0.00 54.13 52.48 2f1d s LEU 116 Cb -0.15 0.99 0.10 0.00 -2.05 0.00 0.00 46.19 45.08 2f1d s LEU 116 CO 0.05 -1.12 0.49 -0.62 -0.55 0.00 0.00 176.35 174.60 2f1d s ASP 117 N -3.24 -0.53 -1.05 1.48 -1.08 -0.79 -2.18 116.67 109.27 2f1d s ASP 117 Ca 0.35 1.17 -0.20 0.00 -0.52 0.00 0.00 52.55 53.35 2f1d s ASP 117 Cb 0.02 1.64 0.08 0.00 -1.46 0.00 0.00 42.92 43.20 2f1d s ASP 117 CO 0.20 -0.23 1.40 -0.76 0.52 0.00 0.00 175.17 176.30 2f1d s LEU 118 N 2.69 4.08 0.00 -1.34 1.43 -0.62 -2.16 118.68 122.76 2f1d s LEU 118 Ca -0.03 -1.86 0.07 0.00 -1.03 0.00 0.00 54.13 51.28 2f1d s LEU 118 Cb -0.12 -2.51 -0.06 0.00 0.03 0.00 0.00 46.19 43.52 2f1d s LEU 118 CO -0.15 -1.29 0.32 -1.54 0.23 0.00 0.00 176.35 173.93 2f1d n SER 119 N 7.96 0.43 -1.63 2.29 3.41 -1.19 -4.98 113.62 119.89 2f1d n SER 119 Ca 0.33 -0.71 -0.18 0.00 -0.26 0.00 0.00 58.87 58.05 2f1d n SER 119 Cb 0.49 0.92 -0.05 0.00 -0.26 0.00 0.00 64.21 65.31 2f1d n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2f1d n GLY 120 N 1.10 0.94 2.64 5.00 0.00 0.19 -4.99 105.19 110.07 2f1d n GLY 120 Ca 0.02 -0.15 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 2f1d n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2f1d s ARG 121 N -4.05 0.29 0.17 1.61 0.52 -0.90 -4.90 118.95 111.69 2f1d s ARG 121 Ca 0.00 -0.29 -0.30 0.00 -0.52 0.00 0.00 55.73 54.61 2f1d s ARG 121 Cb 0.00 -1.83 -0.08 0.00 0.52 0.00 0.00 34.95 33.56 2f1d s ARG 121 CO 0.00 -0.72 1.25 -1.25 0.02 0.00 0.00 175.30 174.60 2f1d s PRO 122 N 2.02 4.43 -0.28 3.54 0.04 -1.26 -3.36 135.00 140.14 2f1d s PRO 122 Ca 0.02 1.94 -0.20 0.00 0.04 0.00 0.00 61.00 62.80 2f1d s PRO 122 Cb -0.16 -3.24 0.08 0.00 0.04 0.00 0.00 34.50 31.22 2f1d s PRO 122 CO -0.13 -0.20 0.74 -0.47 0.04 0.00 0.00 177.00 176.98 2f1d s TYR 123 N 0.24 -0.89 -0.15 0.56 5.04 -0.82 -4.93 117.35 116.40 2f1d s TYR 123 Ca 0.56 1.94 0.02 0.00 -2.44 0.00 0.00 57.07 57.15 2f1d s TYR 123 Cb -0.34 0.46 0.01 0.00 0.35 0.00 0.00 41.96 42.45 2f1d s TYR 123 CO 0.36 -0.44 -0.21 -1.17 -1.34 0.00 0.00 175.55 172.75 2f1d s LEU 124 N 1.05 2.07 -0.57 6.97 2.96 -1.26 -0.85 118.68 129.06 2f1d s LEU 124 Ca -0.05 -0.61 -0.06 0.00 -0.22 0.00 0.00 54.13 53.19 2f1d s LEU 124 Cb -0.05 -1.42 0.15 0.00 0.50 0.00 0.00 46.19 45.36 2f1d s LEU 124 CO -0.11 0.04 0.42 -0.83 -1.32 0.00 0.00 176.35 174.55 2f1d s GLY 125 N 1.03 2.30 -0.33 7.98 0.00 0.58 -5.00 107.32 113.88 2f1d s GLY 125 Ca -0.02 -2.92 -0.11 0.00 0.00 0.00 0.00 44.72 41.67 2f1d s GLY 125 CO -0.06 1.12 0.18 -0.47 0.00 0.00 0.00 173.10 173.86 2f1d s TYR 126 N 0.62 3.20 -0.46 1.90 5.04 -1.26 -0.40 117.35 125.99 2f1d s TYR 126 Ca 0.12 -0.54 0.09 0.00 -2.44 0.00 0.00 57.07 54.30 2f1d s TYR 126 Cb -0.21 -2.40 0.32 0.00 0.35 0.00 0.00 41.96 40.02 2f1d s TYR 126 CO -0.03 -0.46 0.76 0.09 -1.34 0.00 0.00 175.55 174.56 2f1d n ASN 127 N 5.02 2.07 -4.12 4.32 4.13 -1.00 -5.03 115.26 120.65 2f1d n ASN 127 Ca -0.13 -3.20 -0.31 0.00 1.68 0.00 0.00 54.58 52.62 2f1d n ASN 127 Cb 0.49 -0.61 -0.16 0.00 -1.54 0.00 0.00 39.78 37.95 2f1d n ASN 127 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2f1d s LEU 128 N -2.54 1.98 -0.45 3.41 2.96 -1.26 -2.65 118.68 120.14 2f1d s LEU 128 Ca 0.42 -0.56 -0.05 0.00 -0.22 0.00 0.00 54.13 53.72 2f1d s LEU 128 Cb 0.28 -1.34 0.12 0.00 0.50 0.00 0.00 46.19 45.75 2f1d s LEU 128 CO -0.09 0.04 0.26 -1.83 -1.32 0.00 0.00 176.35 173.41 2f1d s GLU 129 N 1.00 2.18 -0.26 1.98 -1.05 -1.26 -5.07 118.70 116.22 2f1d s GLU 129 Ca -0.04 -1.87 -0.19 0.00 -0.15 0.00 0.00 54.97 52.72 2f1d s GLU 129 Cb -0.15 -3.69 -0.02 0.00 -0.44 0.00 0.00 34.13 29.83 2f1d s GLU 129 CO -0.05 -1.12 0.56 0.42 0.95 0.00 0.00 175.26 176.03 2f1d s ILE 130 N 1.09 5.04 -1.35 1.83 1.01 -1.26 -4.98 121.20 122.57 2f1d s ILE 130 Ca 0.08 0.96 0.29 0.00 0.00 0.00 0.00 60.65 61.99 2f1d s ILE 130 Cb -0.23 -3.87 0.46 0.00 0.01 0.00 0.00 42.46 38.83 2f1d s ILE 130 CO -0.03 0.06 2.00 -0.81 0.00 0.00 0.00 174.94 176.15 2f1d n PRO 131 N 5.61 0.34 -4.91 2.79 -0.04 -1.26 -4.76 135.00 132.77 2f1d n PRO 131 Ca -0.03 0.01 -0.30 0.00 -0.04 0.00 0.00 63.50 63.14 2f1d n PRO 131 Cb 0.49 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.31 2f1d n PRO 131 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2f1d s THR 132 N -2.65 2.23 -0.13 0.52 -4.23 -1.26 -5.02 115.64 105.10 2f1d s THR 132 Ca 0.25 -1.34 0.30 0.00 -1.18 0.00 0.00 61.69 59.72 2f1d s THR 132 Cb 0.19 -1.87 0.35 0.00 1.34 0.00 0.00 72.50 72.52 2f1d s THR 132 CO 0.46 0.38 1.87 1.56 -0.54 0.00 0.00 174.62 178.36 2f1d h GLN 133 N 4.82 0.00 -2.69 3.99 4.20 -1.96 -3.44 115.11 120.03 2f1d h GLN 133 Ca -0.46 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.12 2f1d h GLN 133 Cb 1.14 0.00 -0.26 0.00 0.30 0.00 0.00 27.48 28.66 2f1d h GLN 133 CO 0.44 0.00 -0.30 1.03 -0.67 0.00 0.00 178.83 179.33 2f1d s ARG 134 N -3.51 0.40 -0.33 1.46 0.52 -1.26 -1.97 118.95 114.25 2f1d s ARG 134 Ca 0.03 0.73 -0.03 0.00 -0.52 0.00 0.00 55.73 55.94 2f1d s ARG 134 Cb 0.09 0.02 0.06 0.00 0.52 0.00 0.00 34.95 35.63 2f1d s ARG 134 CO 0.52 -0.14 0.06 0.14 0.02 0.00 0.00 175.30 175.90 2f1d s VAL 135 N 1.18 3.21 0.00 3.52 -7.23 -1.07 -4.93 120.40 115.09 2f1d s VAL 135 Ca -0.08 -1.44 0.00 0.00 -1.81 0.00 0.00 61.98 58.65 2f1d s VAL 135 Cb -0.07 -2.90 0.00 0.00 0.56 0.00 0.00 36.38 33.97 2f1d s VAL 135 CO -0.10 -0.22 0.00 0.61 -0.31 0.00 0.00 175.10 175.08 2f1d n GLY 136 N 4.66 2.86 0.86 2.32 0.00 -1.26 -1.96 105.19 112.67 2f1d n GLY 136 Ca -0.11 -0.15 0.09 0.00 0.00 0.00 0.00 46.02 45.85 2f1d n GLY 136 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2f1d n THR 137 N 0.00 0.44 -2.73 2.61 -2.24 -1.26 -4.99 114.28 106.11 2f1d n THR 137 Ca 0.00 -0.72 -0.42 0.00 -2.27 0.00 0.00 64.05 60.64 2f1d n THR 137 Cb 0.00 0.99 -0.03 0.00 -2.10 0.00 0.00 70.33 69.19 2f1d n THR 137 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2f1d s TYR 138 N -1.29 2.63 0.03 4.78 5.04 -0.83 -4.98 117.35 122.74 2f1d s TYR 138 Ca 0.28 -0.02 -0.39 0.00 -2.44 0.00 0.00 57.07 54.51 2f1d s TYR 138 Cb 0.17 -4.32 -0.19 0.00 0.35 0.00 0.00 41.96 37.98 2f1d s TYR 138 CO 0.24 -1.59 1.18 -3.47 -1.34 0.00 0.00 175.55 170.57 2f1d n ASP 139 N 8.08 0.66 0.14 4.32 -0.08 -1.26 -2.58 116.55 125.83 2f1d n ASP 139 Ca 0.03 1.14 0.09 0.00 -1.51 0.00 0.00 54.79 54.54 2f1d n ASP 139 Cb 0.48 -1.03 0.06 0.00 2.34 0.00 0.00 41.12 42.97 2f1d n ASP 139 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 2f1d h THR 140 N 3.15 0.15 0.00 5.18 2.02 -1.69 -3.19 112.91 118.54 2f1d h THR 140 Ca -0.50 -1.24 -0.01 0.00 0.77 0.00 0.00 66.41 65.43 2f1d h THR 140 Cb 1.39 1.84 -0.00 0.00 -1.74 0.00 0.00 68.15 69.64 2f1d h THR 140 CO 0.70 0.09 -0.06 1.56 0.37 0.00 0.00 175.52 178.18 2f1d h GLN 141 N 0.00 0.00 0.00 6.66 4.20 -1.88 -3.06 115.11 121.03 2f1d h GLN 141 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2f1d h GLN 141 Cb 1.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.89 2f1d h GLN 141 CO 0.01 0.06 0.00 -0.07 -0.67 0.00 0.00 178.83 178.17 2f1d h LEU 142 N 0.00 0.00 -0.68 1.46 4.07 -1.94 -2.80 115.31 115.42 2f1d h LEU 142 Ca -0.00 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.87 2f1d h LEU 142 Cb 0.23 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.95 2f1d h LEU 142 CO 0.01 0.00 0.06 0.58 -1.08 0.00 0.00 178.44 178.01 2f1d h VAL 143 N 0.00 1.26 -0.34 1.22 2.07 -1.77 0.13 116.25 118.82 2f1d h VAL 143 Ca 0.00 -1.09 -0.13 0.00 0.82 0.00 0.00 66.70 66.30 2f1d h VAL 143 Cb 0.29 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 2f1d h VAL 143 CO 0.00 0.40 -0.30 -0.08 0.02 0.00 0.00 177.57 177.61 2f1d h GLU 144 N 1.00 0.80 -0.61 1.57 4.81 -1.73 -2.85 114.58 117.57 2f1d h GLU 144 Ca 0.19 -0.41 -0.02 0.00 -0.13 0.00 0.00 59.36 58.99 2f1d h GLU 144 Cb 0.49 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 2f1d h GLU 144 CO 0.02 1.04 0.31 1.25 -0.73 0.00 0.00 179.01 180.90 2f1d h HIS 145 N 0.59 0.83 0.47 0.92 2.76 -1.45 0.54 115.15 119.81 2f1d h HIS 145 Ca 0.06 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.19 2f1d h HIS 145 Cb 0.88 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 29.57 2f1d h HIS 145 CO 0.07 0.60 -0.22 0.35 -1.30 0.00 0.00 177.93 177.42 2f1d h PHE 146 N 0.85 -0.58 0.00 5.26 3.57 -0.95 -0.74 116.94 124.35 2f1d h PHE 146 Ca 0.21 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.66 2f1d h PHE 146 Cb 0.06 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 2f1d h PHE 146 CO 0.01 -0.31 -0.20 0.74 -2.23 0.00 0.00 178.31 176.31 2f1d h PHE 147 N -0.73 0.00 -0.03 0.41 -1.00 -1.25 -1.41 116.94 112.93 2f1d h PHE 147 Ca -0.06 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.69 2f1d h PHE 147 Cb 0.53 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.09 2f1d h PHE 147 CO -0.02 0.20 -0.07 0.37 -1.61 0.00 0.00 178.31 177.18 2f1d h GLN 148 N 0.00 0.11 0.00 1.51 5.75 -0.66 -2.63 115.11 119.19 2f1d h GLN 148 Ca -0.00 -0.07 -0.09 0.00 -0.15 0.00 0.00 58.65 58.34 2f1d h GLN 148 Cb 0.53 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.07 2f1d h GLN 148 CO 0.03 0.67 -0.43 0.77 -2.65 0.00 0.00 178.83 177.21 2f1d h SER 149 N -0.44 0.00 0.51 -0.69 0.02 -1.04 -2.17 113.55 109.74 2f1d h SER 149 Ca -0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 2f1d h SER 149 Cb 0.67 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 2f1d h SER 149 CO 0.02 0.43 -0.72 0.25 -1.14 0.00 0.00 176.83 175.67 2f1d h LEU 150 N 0.00 0.21 -0.26 5.07 6.46 -1.29 -3.13 115.31 122.38 2f1d h LEU 150 Ca -0.00 -0.14 -0.15 0.00 -0.12 0.00 0.00 57.88 57.46 2f1d h LEU 150 Cb 0.85 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.69 2f1d h LEU 150 CO 0.06 0.86 -0.72 0.58 -0.62 0.00 0.00 178.44 178.60 2f1d h VAL 151 N 0.12 1.33 -0.20 1.05 2.07 -1.22 -2.95 116.25 116.45 2f1d h VAL 151 Ca -0.02 -2.62 -0.20 0.00 0.82 0.00 0.00 66.70 64.67 2f1d h VAL 151 Cb 1.27 2.49 0.00 0.00 -1.52 0.00 0.00 31.29 33.54 2f1d h VAL 151 CO 0.11 0.70 -0.67 0.78 0.02 0.00 0.00 177.57 178.51 2f1d h ASN 152 N 0.00 0.90 0.39 0.57 2.35 -1.34 -2.61 115.58 115.85 2f1d h ASN 152 Ca -0.01 -0.54 -0.31 0.00 -0.55 0.00 0.00 56.30 54.89 2f1d h ASN 152 Cb 1.43 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 39.49 2f1d h ASN 152 CO 0.09 1.33 -1.84 0.35 -1.65 0.00 0.00 177.43 175.71 2f1d n THR 153 N -3.96 1.57 0.22 2.81 -2.24 -1.24 -4.22 114.28 107.22 2f1d n THR 153 Ca -0.06 -0.81 0.07 0.00 -2.27 0.00 0.00 64.05 60.99 2f1d n THR 153 Cb 0.69 -0.92 0.49 0.00 -2.10 0.00 0.00 70.33 68.49 2f1d n THR 153 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2f1d h SER 154 N 0.00 0.00 -4.09 3.42 0.87 -1.55 -3.41 113.55 108.79 2f1d h SER 154 Ca -0.34 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 59.98 2f1d h SER 154 Cb 2.06 0.00 0.09 0.00 -0.44 0.00 0.00 62.40 64.11 2f1d h SER 154 CO 0.07 0.27 -0.44 0.61 -0.53 0.00 0.00 176.83 176.81 2f1d n GLY 155 N -0.38 -0.00 3.53 5.77 0.00 -0.99 -4.73 105.19 108.39 2f1d n GLY 155 Ca -0.01 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 2f1d n GLY 155 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2f1d s MET 156 N -5.57 2.52 -0.23 1.61 -2.45 -1.18 0.55 119.30 114.55 2f1d s MET 156 Ca 0.27 -0.70 -0.12 0.00 -1.25 0.00 0.00 55.69 53.89 2f1d s MET 156 Cb -0.12 -2.44 -0.05 0.00 1.25 0.00 0.00 34.83 33.47 2f1d s MET 156 CO 0.46 0.62 0.22 0.99 1.05 0.00 0.00 175.02 178.36 2f1d s THR 157 N -0.85 5.32 -0.03 10.11 2.01 -0.92 -1.94 115.64 129.33 2f1d s THR 157 Ca 0.14 0.32 -0.01 0.00 0.31 0.00 0.00 61.69 62.45 2f1d s THR 157 Cb -0.11 -3.56 0.03 0.00 0.01 0.00 0.00 72.50 68.87 2f1d s THR 157 CO 0.03 0.32 0.02 -0.22 -0.69 0.00 0.00 174.62 174.09 2f1d s LEU 158 N 1.13 0.79 -0.18 4.42 2.96 -0.03 -1.89 118.68 125.88 2f1d s LEU 158 Ca 0.10 0.01 0.00 0.00 -0.22 0.00 0.00 54.13 54.03 2f1d s LEU 158 Cb -0.14 -0.18 0.01 0.00 0.50 0.00 0.00 46.19 46.38 2f1d s LEU 158 CO 0.05 -0.16 -0.18 -1.00 -1.32 0.00 0.00 176.35 173.75 2f1d s HIS 159 N 1.47 2.80 -0.17 5.38 3.76 -0.66 -0.31 115.29 127.56 2f1d s HIS 159 Ca -0.04 -1.48 -0.03 0.00 -0.15 0.00 0.00 55.06 53.36 2f1d s HIS 159 Cb -0.13 -1.94 -0.02 0.00 1.11 0.00 0.00 32.58 31.60 2f1d s HIS 159 CO -0.03 -0.74 -0.06 0.42 -0.85 0.00 0.00 174.74 173.48 2f1d s ILE 160 N 1.26 3.54 -0.07 0.60 1.01 0.47 -1.94 121.20 126.06 2f1d s ILE 160 Ca 0.04 -0.47 0.02 0.00 0.00 0.00 0.00 60.65 60.24 2f1d s ILE 160 Cb -0.14 -2.55 0.01 0.00 0.01 0.00 0.00 42.46 39.79 2f1d s ILE 160 CO -0.10 0.48 -0.14 -0.13 0.00 0.00 0.00 174.94 175.06 2f1d s ARG 161 N 0.66 1.88 -0.12 2.79 0.52 -0.08 -2.37 118.95 122.23 2f1d s ARG 161 Ca -0.04 -0.47 -0.21 0.00 -0.52 0.00 0.00 55.73 54.49 2f1d s ARG 161 Cb -0.15 -1.55 -0.03 0.00 0.52 0.00 0.00 34.95 33.74 2f1d s ARG 161 CO 0.02 0.02 0.63 -1.14 0.02 0.00 0.00 175.30 174.86 2f1d s GLN 162 N 0.70 4.34 -0.09 3.54 0.74 -1.08 -0.78 119.66 127.03 2f1d s GLN 162 Ca -0.14 0.70 0.07 0.00 0.05 0.00 0.00 55.36 56.05 2f1d s GLN 162 Cb -0.16 -3.49 -0.11 0.00 1.10 0.00 0.00 33.01 30.36 2f1d s GLN 162 CO 0.03 -0.02 0.01 1.28 -0.55 0.00 0.00 175.29 176.05 2f1d n LEU 163 N 4.19 0.42 -3.76 3.68 4.77 -0.80 -4.99 117.00 120.51 2f1d n LEU 163 Ca -0.02 -0.01 -0.10 0.00 -0.03 0.00 0.00 56.01 55.85 2f1d n LEU 163 Cb 0.51 0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.68 2f1d n LEU 163 CO 0.45 0.29 0.06 0.00 -1.33 0.00 0.00 177.39 176.86 2f1d s ALA 164 N -2.22 -0.57 0.00 -1.18 0.00 -1.16 -4.96 121.76 111.67 2f1d s ALA 164 Ca -0.06 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.53 2f1d s ALA 164 Cb 0.03 0.65 0.00 0.00 0.00 0.00 0.00 23.12 23.80 2f1d s ALA 164 CO 0.36 -0.61 0.00 0.41 0.00 0.00 0.00 175.76 175.92 2f1d n GLY 165 N -0.17 4.41 0.90 0.00 0.00 -1.21 -2.42 105.19 106.69 2f1d n GLY 165 Ca -0.14 -0.72 -0.03 0.00 0.00 0.00 0.00 46.02 45.13 2f1d n GLY 165 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2f1d n GLU 166 N -0.55 0.07 -2.31 1.61 1.02 -1.26 -4.97 120.64 114.26 2f1d n GLU 166 Ca 0.00 0.03 -0.42 0.00 -0.02 0.00 0.00 57.16 56.75 2f1d n GLU 166 Cb 0.00 -0.63 -0.03 0.00 -0.02 0.00 0.00 31.44 30.77 2f1d n GLU 166 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2f1d s ASN 167 N -5.56 6.92 0.14 1.62 3.84 -1.26 -4.65 114.94 115.99 2f1d s ASN 167 Ca -0.05 1.99 -0.17 0.00 0.21 0.00 0.00 52.86 54.84 2f1d s ASN 167 Cb 0.01 -2.56 -0.02 0.00 -0.55 0.00 0.00 41.25 38.14 2f1d s ASN 167 CO 0.06 -0.68 1.76 0.28 -2.79 0.00 0.00 177.10 175.73 2f1d h SER 168 N 7.76 0.41 -0.11 -4.21 0.02 -1.97 -1.66 113.55 113.78 2f1d h SER 168 Ca -0.36 -0.06 0.05 0.00 -0.84 0.00 0.00 61.79 60.57 2f1d h SER 168 Cb 1.17 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 63.55 2f1d h SER 168 CO 0.90 0.35 -0.29 -0.74 -1.14 0.00 0.00 176.83 175.91 2f1d h HIS 169 N 0.43 -0.78 -0.27 3.45 6.17 -1.98 -1.74 115.15 120.43 2f1d h HIS 169 Ca 0.12 0.03 0.05 0.00 0.71 0.00 0.00 60.37 61.28 2f1d h HIS 169 Cb 0.02 0.36 -0.05 0.00 2.52 0.00 0.00 27.41 30.27 2f1d h HIS 169 CO -0.04 -0.37 -0.04 0.45 0.71 0.00 0.00 177.93 178.65 2f1d h HIS 170 N -0.37 -0.08 -0.78 5.26 3.86 -1.82 0.16 115.15 121.38 2f1d h HIS 170 Ca 0.09 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.35 2f1d h HIS 170 Cb 0.51 0.08 -0.04 0.00 1.06 0.00 0.00 27.41 29.02 2f1d h HIS 170 CO -0.37 -0.08 0.51 0.82 0.86 0.00 0.00 177.93 179.66 2f1d h ILE 171 N 0.04 1.16 -0.16 2.45 2.04 -1.02 0.46 117.51 122.48 2f1d h ILE 171 Ca 0.13 -0.35 -0.17 0.00 1.00 0.00 0.00 64.86 65.48 2f1d h ILE 171 Cb 0.19 0.06 0.01 0.00 -0.74 0.00 0.00 36.82 36.33 2f1d h ILE 171 CO -0.25 0.18 -0.55 0.40 0.00 0.00 0.00 178.15 177.94 2f1d h ILE 172 N 1.01 1.32 -0.11 -0.67 2.04 -0.79 -2.46 117.51 117.86 2f1d h ILE 172 Ca 0.30 -1.80 -0.01 0.00 1.00 0.00 0.00 64.86 64.35 2f1d h ILE 172 Cb -0.05 2.00 -0.00 0.00 -0.74 0.00 0.00 36.82 38.02 2f1d h ILE 172 CO -0.09 0.56 0.03 -0.08 0.00 0.00 0.00 178.15 178.57 2f1d h GLU 173 N 0.32 0.17 -0.86 2.37 4.81 -0.24 -2.62 114.58 118.53 2f1d h GLU 173 Ca -0.02 -0.04 0.18 0.00 -0.13 0.00 0.00 59.36 59.34 2f1d h GLU 173 Cb 1.17 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.47 2f1d h GLU 173 CO 0.12 0.34 0.57 0.00 -0.73 0.00 0.00 179.01 179.31 2f1d h ALA 174 N 0.82 2.10 -0.18 2.92 0.00 -0.10 -0.99 119.26 123.83 2f1d h ALA 174 Ca 0.03 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 2f1d h ALA 174 Cb 0.24 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2f1d h ALA 174 CO 0.00 -0.36 -0.57 1.15 0.00 0.00 0.00 179.25 179.47 2f1d h THR 175 N 0.47 1.32 -0.06 0.00 2.02 -1.09 -1.95 112.91 113.62 2f1d h THR 175 Ca 0.44 -1.82 -0.18 0.00 0.77 0.00 0.00 66.41 65.62 2f1d h THR 175 Cb 1.00 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 69.20 2f1d h THR 175 CO -0.17 0.57 -0.73 -0.26 0.37 0.00 0.00 175.52 175.30 2f1d h PHE 176 N 0.43 0.44 0.52 3.16 -1.00 -0.90 -2.01 116.94 117.58 2f1d h PHE 176 Ca 0.00 -0.20 -0.03 0.00 2.81 0.00 0.00 57.97 60.56 2f1d h PHE 176 Cb 1.12 -0.07 0.01 0.00 3.61 0.00 0.00 35.95 40.62 2f1d h PHE 176 CO 0.05 0.94 -0.25 0.87 -1.61 0.00 0.00 178.31 178.31 2f1d h LYS 177 N 0.22 -0.67 -0.13 1.51 1.57 -1.14 -2.05 116.57 115.86 2f1d h LYS 177 Ca -0.03 0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 2f1d h LYS 177 Cb 1.30 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.75 2f1d h LYS 177 CO 0.12 -0.41 -0.19 0.00 -0.57 0.00 0.00 179.45 178.40 2f1d h ALA 178 N -0.34 1.43 0.22 3.86 0.00 -1.40 -2.15 119.26 120.89 2f1d h ALA 178 Ca -0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2f1d h ALA 178 Cb 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2f1d h ALA 178 CO 0.12 0.40 -0.11 0.35 0.00 0.00 0.00 179.25 180.01 2f1d h PHE 179 N 0.21 -0.28 -0.84 0.00 3.57 -1.35 -2.12 116.94 116.14 2f1d h PHE 179 Ca 0.04 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.60 2f1d h PHE 179 Cb 0.46 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.23 2f1d h PHE 179 CO 0.01 0.02 0.51 0.00 -2.23 0.00 0.00 178.31 176.61 2f1d h ALA 180 N 0.14 1.16 0.00 2.41 0.00 -1.18 0.22 119.26 122.01 2f1d h ALA 180 Ca -0.03 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2f1d h ALA 180 Cb 0.41 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2f1d h ALA 180 CO 0.05 0.23 -0.48 0.00 0.00 0.00 0.00 179.25 179.05 2f1d h ARG 181 N 0.92 0.00 0.09 0.00 3.08 -1.38 -0.56 114.38 116.53 2f1d h ARG 181 Ca 0.37 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 60.17 2f1d h ARG 181 Cb 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 2f1d h ARG 181 CO -0.19 0.48 -1.18 0.00 -1.07 0.00 0.00 179.97 178.01 2f1d h ALA 182 N 1.52 0.18 -0.22 0.04 0.00 -0.66 -2.75 119.26 117.37 2f1d h ALA 182 Ca -0.00 -0.90 -0.18 0.00 0.00 0.00 0.00 54.91 53.82 2f1d h ALA 182 Cb 0.89 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 2f1d h ALA 182 CO 0.06 1.06 -0.60 1.25 0.00 0.00 0.00 179.25 181.03 2f1d h LEU 183 N 0.05 0.81 -0.06 0.00 6.46 -0.40 -2.46 115.31 119.72 2f1d h LEU 183 Ca -0.10 -0.46 -0.00 0.00 -0.12 0.00 0.00 57.88 57.20 2f1d h LEU 183 Cb 1.91 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 41.61 2f1d h LEU 183 CO 0.18 1.23 0.03 -0.09 -0.62 0.00 0.00 178.44 179.16 2f1d h ARG 184 N 0.54 0.09 -0.93 1.25 2.43 -1.19 -0.69 114.38 115.88 2f1d h ARG 184 Ca -0.00 -0.01 0.19 0.00 -0.81 0.00 0.00 59.98 59.35 2f1d h ARG 184 Cb 1.19 -0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 30.65 2f1d h ARG 184 CO 0.12 0.19 0.60 0.37 -1.51 0.00 0.00 179.97 179.75 2f1d h GLN 185 N -0.04 0.52 0.00 0.20 4.15 -1.50 -1.70 115.11 116.74 2f1d h GLN 185 Ca 0.02 -0.03 -0.16 0.00 0.77 0.00 0.00 58.65 59.25 2f1d h GLN 185 Cb 0.13 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 2f1d h GLN 185 CO -0.00 0.34 -1.26 0.00 -1.93 0.00 0.00 178.83 175.98 2f1d h ALA 186 N 1.61 0.65 0.00 3.38 0.00 -1.07 -3.35 119.26 120.49 2f1d h ALA 186 Ca 0.50 -0.80 -0.20 0.00 0.00 0.00 0.00 54.91 54.41 2f1d h ALA 186 Cb 1.06 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 2f1d h ALA 186 CO -0.23 0.89 -0.95 1.79 0.00 0.00 0.00 179.25 180.75 2f1d h THR 187 N 0.00 1.61 -3.97 0.00 1.35 -0.83 -1.92 112.91 109.14 2f1d h THR 187 Ca -0.14 -3.28 -0.49 0.00 -0.55 0.00 0.00 66.41 61.96 2f1d h THR 187 Cb 1.57 2.79 0.17 0.00 -1.73 0.00 0.00 68.15 70.96 2f1d h THR 187 CO 0.05 0.92 0.20 -1.61 -0.25 0.00 0.00 175.52 174.83 2f1d s GLU 188 N -2.74 0.81 0.25 4.72 2.02 -0.67 -4.78 118.70 118.31 2f1d s GLU 188 Ca 0.01 1.07 -0.16 0.00 0.02 0.00 0.00 54.97 55.91 2f1d s GLU 188 Cb 0.10 -1.74 -0.08 0.00 0.10 0.00 0.00 34.13 32.51 2f1d s GLU 188 CO 0.81 -2.62 0.68 0.95 0.02 0.00 0.00 175.26 175.09 2f1d s THR 189 N -2.75 4.71 -0.33 3.63 -4.23 -1.26 -1.87 115.64 113.54 2f1d s THR 189 Ca 0.65 0.97 -0.10 0.00 -1.18 0.00 0.00 61.69 62.03 2f1d s THR 189 Cb -0.21 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 69.92 2f1d s THR 189 CO 0.59 0.03 0.17 -0.62 -0.54 0.00 0.00 174.62 174.25 2f1d s ASP 190 N -1.99 5.61 -0.53 3.99 2.15 -0.48 -4.71 116.67 120.71 2f1d s ASP 190 Ca 0.47 -0.64 -0.13 0.00 0.43 0.00 0.00 52.55 52.68 2f1d s ASP 190 Cb -0.13 -2.01 -0.12 0.00 -0.30 0.00 0.00 42.92 40.35 2f1d s ASP 190 CO 0.19 -0.24 1.58 -2.65 -0.17 0.00 0.00 175.17 173.88 2f1d n PRO 191 N 4.99 0.06 0.00 4.34 -0.02 -1.26 -4.86 135.00 138.25 2f1d n PRO 191 Ca -0.13 -0.74 0.12 0.00 -2.02 0.00 0.00 63.50 60.72 2f1d n PRO 191 Cb 0.48 -2.34 0.70 0.00 -0.02 0.00 0.00 33.50 32.33 2f1d n PRO 191 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02