#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 2.95 -0.04 1.61 0.52 -1.26 -4.95 118.95 117.77 2f1d s ARG 11 Ca 0.00 0.88 0.04 0.00 -0.52 0.00 0.00 55.73 56.13 2f1d s ARG 11 Cb 0.00 -4.29 0.00 0.00 0.52 0.00 0.00 34.95 31.18 2f1d s ARG 11 CO 0.00 -2.33 -0.15 0.42 0.02 0.00 0.00 175.30 173.26 2f1d s ILE 12 N 7.97 1.25 -0.06 1.52 1.01 -1.26 -1.72 121.20 129.91 2f1d s ILE 12 Ca 0.70 -0.60 0.05 0.00 0.00 0.00 0.00 60.65 60.79 2f1d s ILE 12 Cb -0.16 -1.09 -0.00 0.00 0.01 0.00 0.00 42.46 41.22 2f1d s ILE 12 CO 0.26 0.37 -0.21 -0.83 0.00 0.00 0.00 174.94 174.53 2f1d s GLY 13 N 0.18 1.13 -0.05 6.18 0.00 -0.80 -4.30 107.32 109.66 2f1d s GLY 13 Ca -0.06 -0.85 0.03 0.00 0.00 0.00 0.00 44.72 43.84 2f1d s GLY 13 CO 0.02 -0.42 -0.12 -0.54 0.00 0.00 0.00 173.10 172.03 2f1d s GLU 14 N 0.07 1.51 -0.03 2.90 2.02 -1.26 -2.02 118.70 121.89 2f1d s GLU 14 Ca -0.07 -0.43 -0.01 0.00 0.02 0.00 0.00 54.97 54.49 2f1d s GLU 14 Cb -0.14 -1.30 0.03 0.00 0.10 0.00 0.00 34.13 32.82 2f1d s GLU 14 CO 0.04 0.10 0.05 0.08 0.02 0.00 0.00 175.26 175.54 2f1d s VAL 15 N 0.40 -0.07 -0.21 2.63 1.01 -0.67 -4.86 120.40 118.64 2f1d s VAL 15 Ca -0.09 0.24 -0.01 0.00 0.00 0.00 0.00 61.98 62.12 2f1d s VAL 15 Cb -0.13 -0.11 0.01 0.00 0.00 0.00 0.00 36.38 36.16 2f1d s VAL 15 CO 0.02 0.10 -0.11 -1.59 0.00 0.00 0.00 175.10 173.52 2f1d s LYS 16 N 1.23 3.10 -0.09 2.72 -2.85 -1.26 -1.88 119.74 120.71 2f1d s LYS 16 Ca -0.07 -0.78 0.01 0.00 -1.00 0.00 0.00 55.97 54.12 2f1d s LYS 16 Cb -0.13 -2.82 0.02 0.00 -2.06 0.00 0.00 37.83 32.84 2f1d s LYS 16 CO -0.03 -0.24 -0.10 0.50 0.10 0.00 0.00 175.35 175.57 2f1d s ARG 17 N 1.37 1.66 -0.07 1.78 3.52 -0.67 -5.02 118.95 121.51 2f1d s ARG 17 Ca 0.04 -0.35 0.02 0.00 -0.13 0.00 0.00 55.73 55.31 2f1d s ARG 17 Cb -0.14 -1.53 0.01 0.00 -1.56 0.00 0.00 34.95 31.73 2f1d s ARG 17 CO -0.08 -0.12 -0.13 0.08 -0.81 0.00 0.00 175.30 174.25 2f1d s VAL 18 N 1.17 1.19 0.22 7.11 1.01 -1.26 -1.89 120.40 127.94 2f1d s VAL 18 Ca -0.05 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.44 2f1d s VAL 18 Cb -0.14 -1.08 -0.05 0.00 0.00 0.00 0.00 36.38 35.11 2f1d s VAL 18 CO -0.02 0.37 0.02 0.42 0.00 0.00 0.00 175.10 175.88 2f1d s THR 19 N 0.63 0.81 0.56 3.92 -4.23 -0.99 -5.02 115.64 111.32 2f1d s THR 19 Ca -0.15 -2.01 0.26 0.00 -1.18 0.00 0.00 61.69 58.62 2f1d s THR 19 Cb -0.16 -2.32 0.37 0.00 1.34 0.00 0.00 72.50 71.73 2f1d s THR 19 CO 0.04 -0.31 2.04 0.07 -0.54 0.00 0.00 174.62 175.92 2f1d h LYS 20 N 2.53 0.00 0.12 3.99 -0.00 -2.03 -2.25 116.57 118.93 2f1d h LYS 20 Ca -0.38 0.00 -0.17 0.00 -0.00 0.00 0.00 60.65 60.10 2f1d h LYS 20 Cb 1.22 0.00 0.02 0.00 -0.00 0.00 0.00 32.23 33.47 2f1d h LYS 20 CO 0.63 0.00 -0.75 0.93 -0.00 0.00 0.00 179.45 180.26 2f1d h GLU 21 N 0.00 0.30 -4.86 0.07 3.07 -1.98 -3.50 114.58 107.68 2f1d h GLU 21 Ca 0.16 -0.48 -0.43 0.00 -0.50 0.00 0.00 59.36 58.10 2f1d h GLU 21 Cb 0.73 0.17 -0.14 0.00 -0.84 0.00 0.00 28.75 28.67 2f1d h GLU 21 CO -0.00 1.21 -0.53 0.95 -1.40 0.00 0.00 179.01 179.25 2f1d s THR 22 N -2.51 0.14 -0.22 1.13 -4.23 -0.85 -3.58 115.64 105.52 2f1d s THR 22 Ca -0.14 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.34 2f1d s THR 22 Cb 0.01 -2.48 0.11 0.00 1.34 0.00 0.00 72.50 71.47 2f1d s THR 22 CO 0.82 0.00 0.28 0.21 -0.54 0.00 0.00 174.62 175.39 2f1d s ASN 23 N -3.37 0.94 0.05 3.99 3.84 -0.39 -2.36 114.94 117.63 2f1d s ASN 23 Ca 0.37 -0.04 0.07 0.00 0.21 0.00 0.00 52.86 53.47 2f1d s ASN 23 Cb 0.04 0.66 -0.03 0.00 -0.55 0.00 0.00 41.25 41.37 2f1d s ASN 23 CO 0.21 -0.31 -0.19 -0.69 -2.79 0.00 0.00 177.10 173.33 2f1d s VAL 24 N 2.41 1.53 -0.15 -5.21 1.01 -0.79 -2.40 120.40 116.79 2f1d s VAL 24 Ca 0.09 -1.18 -0.08 0.00 0.00 0.00 0.00 61.98 60.81 2f1d s VAL 24 Cb -0.16 -1.35 0.05 0.00 0.00 0.00 0.00 36.38 34.93 2f1d s VAL 24 CO -0.13 0.13 0.35 -0.55 0.00 0.00 0.00 175.10 174.89 2f1d s SER 25 N -1.24 -0.42 -0.11 3.32 0.15 -0.81 -1.68 113.70 112.91 2f1d s SER 25 Ca 0.06 0.76 -0.05 0.00 0.70 0.00 0.00 55.95 57.41 2f1d s SER 25 Cb -0.09 0.65 0.05 0.00 -1.71 0.00 0.00 66.02 64.92 2f1d s SER 25 CO 0.02 -0.18 0.24 -0.69 1.20 0.00 0.00 173.24 173.83 2f1d s VAL 26 N 1.26 -0.16 -0.16 4.45 1.01 -0.79 -1.31 120.40 124.71 2f1d s VAL 26 Ca -0.09 0.20 -0.01 0.00 0.00 0.00 0.00 61.98 62.07 2f1d s VAL 26 Cb -0.09 -0.39 0.04 0.00 0.00 0.00 0.00 36.38 35.95 2f1d s VAL 26 CO -0.10 0.08 -0.01 -0.54 0.00 0.00 0.00 175.10 174.53 2f1d s LYS 27 N 1.64 1.01 -0.05 2.72 1.02 -0.48 -1.66 119.74 123.94 2f1d s LYS 27 Ca -0.06 -0.37 0.03 0.00 0.02 0.00 0.00 55.97 55.60 2f1d s LYS 27 Cb -0.11 -1.84 -0.03 0.00 -0.52 0.00 0.00 37.83 35.34 2f1d s LYS 27 CO -0.08 -0.48 -0.13 0.42 -0.92 0.00 0.00 175.35 174.16 2f1d s ILE 28 N 1.77 3.21 -0.36 2.17 1.01 -0.86 -1.52 121.20 126.62 2f1d s ILE 28 Ca 0.01 -0.67 -0.01 0.00 0.00 0.00 0.00 60.65 59.98 2f1d s ILE 28 Cb -0.15 -2.27 0.09 0.00 0.01 0.00 0.00 42.46 40.14 2f1d s ILE 28 CO -0.07 0.59 0.11 0.21 0.00 0.00 0.00 174.94 175.78 2f1d s ASN 29 N -0.75 5.02 0.39 3.58 3.84 -0.71 -1.90 114.94 124.40 2f1d s ASN 29 Ca 0.12 -1.88 0.12 0.00 0.21 0.00 0.00 52.86 51.42 2f1d s ASN 29 Cb -0.11 -1.74 0.91 0.00 -0.55 0.00 0.00 41.25 39.76 2f1d s ASN 29 CO 0.01 -0.43 1.90 -0.07 -2.79 0.00 0.00 177.10 175.71 2f1d h LEU 30 N 7.91 0.54 -5.32 3.21 3.38 -1.67 -2.79 115.31 120.58 2f1d h LEU 30 Ca -0.13 0.03 -0.74 0.00 0.09 0.00 0.00 57.88 57.13 2f1d h LEU 30 Cb 1.04 -0.08 -0.30 0.00 0.09 0.00 0.00 40.66 41.41 2f1d h LEU 30 CO 0.61 0.28 0.69 0.47 0.09 0.00 0.00 178.44 180.58 2f1d n ASP 31 N -4.52 6.89 -2.11 -0.43 8.00 -1.26 -4.66 116.55 118.46 2f1d n ASP 31 Ca 0.16 -3.77 -0.01 0.00 0.71 0.00 0.00 54.79 51.88 2f1d n ASP 31 Cb 0.48 -0.98 0.00 0.00 -0.02 0.00 0.00 41.12 40.61 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 -0.37 1.70 0.06 0.44 0.00 -1.10 -4.76 105.19 101.16 2f1d n GLY 32 Ca 0.48 -2.10 0.02 0.00 0.00 0.00 0.00 46.02 44.42 2f1d n GLY 32 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2f1d n THR 33 N -1.12 0.00 0.00 2.61 5.66 -1.26 -4.71 114.28 115.46 2f1d n THR 33 Ca 0.01 -0.45 0.00 0.00 -3.05 0.00 0.00 64.05 60.56 2f1d n THR 33 Cb 0.02 1.03 0.00 0.00 -1.55 0.00 0.00 70.33 69.83 2f1d n THR 33 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2f1d n GLY 34 N 0.76 1.91 3.54 1.09 0.00 -1.21 -4.95 105.19 106.33 2f1d n GLY 34 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.91 3.85 -0.15 1.61 1.01 -1.04 -4.33 120.40 119.44 2f1d s VAL 35 Ca 0.00 0.10 -0.29 0.00 0.00 0.00 0.00 61.98 61.79 2f1d s VAL 35 Cb 0.00 -4.91 -0.01 0.00 0.00 0.00 0.00 36.38 31.46 2f1d s VAL 35 CO 0.00 -1.81 1.14 0.00 0.00 0.00 0.00 175.10 174.43 2f1d s ALA 36 N 5.35 3.58 -0.44 5.51 0.00 -1.26 -0.74 121.76 133.77 2f1d s ALA 36 Ca 0.35 0.40 0.07 0.00 0.00 0.00 0.00 51.96 52.79 2f1d s ALA 36 Cb -0.08 -3.54 0.25 0.00 0.00 0.00 0.00 23.12 19.75 2f1d s ALA 36 CO 0.10 -0.94 0.72 -3.47 0.00 0.00 0.00 175.76 172.18 2f1d n ASP 37 N 5.91 -1.27 -3.98 0.00 4.64 -0.72 -5.00 116.55 116.13 2f1d n ASP 37 Ca 0.12 -3.03 -0.30 0.00 -1.38 0.00 0.00 54.79 50.19 2f1d n ASP 37 Cb 0.46 0.58 -0.16 0.00 -1.04 0.00 0.00 41.12 40.96 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 -1.48 3.33 -0.23 1.67 0.01 -1.26 -2.63 113.70 113.11 2f1d s SER 38 Ca 0.33 -0.86 -0.00 0.00 1.31 0.00 0.00 55.95 56.73 2f1d s SER 38 Cb 0.21 -1.20 0.06 0.00 0.21 0.00 0.00 66.02 65.31 2f1d s SER 38 CO -0.17 -0.15 -0.01 -0.55 0.41 0.00 0.00 173.24 172.77 2f1d s SER 39 N 1.42 3.57 0.00 2.44 0.15 -0.91 -4.83 113.70 115.54 2f1d s SER 39 Ca -0.01 -1.10 0.00 0.00 0.70 0.00 0.00 55.95 55.54 2f1d s SER 39 Cb -0.16 -0.98 0.00 0.00 -1.71 0.00 0.00 66.02 63.17 2f1d s SER 39 CO -0.08 -0.27 0.00 -1.54 1.20 0.00 0.00 173.24 172.55 2f1d n SER 40 N 4.80 2.44 0.00 5.45 3.41 -1.26 -2.80 113.62 125.65 2f1d n SER 40 Ca -0.10 -0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.27 2f1d n SER 40 Cb 0.45 0.96 0.00 0.00 -0.26 0.00 0.00 64.21 65.36 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 1.69 0.86 2.95 5.00 0.00 -1.26 -4.55 105.19 109.88 2f1d n GLY 41 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.30 2.90 0.33 -0.61 1.01 -1.26 -5.01 121.20 115.26 2f1d s ILE 42 Ca 0.00 -3.69 0.12 0.00 0.00 0.00 0.00 60.65 57.08 2f1d s ILE 42 Cb 0.00 -2.94 0.32 0.00 0.01 0.00 0.00 42.46 39.85 2f1d s ILE 42 CO 0.00 -0.90 1.67 -0.65 0.00 0.00 0.00 174.94 175.06 2f1d h PRO 43 N 6.10 0.33 -0.38 2.79 0.11 -1.99 -0.88 132.00 138.07 2f1d h PRO 43 Ca 0.02 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.97 2f1d h PRO 43 Cb 0.84 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.86 2f1d h PRO 43 CO 0.71 0.22 -0.32 0.35 -0.21 0.00 0.00 178.00 178.75 2f1d h PHE 44 N 0.34 1.01 0.00 0.65 3.57 -1.95 -2.91 116.94 117.65 2f1d h PHE 44 Ca 0.69 -0.28 -0.02 0.00 3.53 0.00 0.00 57.97 61.89 2f1d h PHE 44 Cb 1.52 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 40.03 2f1d h PHE 44 CO -0.05 1.06 -0.11 1.25 -2.23 0.00 0.00 178.31 178.24 2f1d h LEU 45 N 0.72 0.00 0.04 0.59 5.85 -1.61 -2.71 115.31 118.19 2f1d h LEU 45 Ca 0.07 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 2f1d h LEU 45 Cb 0.89 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.92 2f1d h LEU 45 CO 0.08 0.11 -0.02 0.44 -0.34 0.00 0.00 178.44 178.71 2f1d h ASP 46 N 0.00 -0.04 -0.87 1.25 3.32 -1.26 -1.86 116.42 116.97 2f1d h ASP 46 Ca -0.00 -0.51 0.24 0.00 0.02 0.00 0.00 57.03 56.78 2f1d h ASP 46 Cb 0.51 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.03 2f1d h ASP 46 CO 0.01 0.51 0.61 -0.74 -1.72 0.00 0.00 179.24 177.92 2f1d h HIS 47 N -0.61 0.09 0.08 4.55 2.76 -1.34 -0.76 115.15 119.92 2f1d h HIS 47 Ca -0.00 0.00 -0.28 0.00 -2.20 0.00 0.00 60.37 57.89 2f1d h HIS 47 Cb 0.55 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.47 2f1d h HIS 47 CO 0.11 0.02 -1.40 0.52 -1.30 0.00 0.00 177.93 175.88 2f1d h MET 48 N 0.06 0.17 0.00 5.26 2.86 -1.34 -3.13 114.93 118.81 2f1d h MET 48 Ca 0.42 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 2f1d h MET 48 Cb 1.57 0.11 0.00 0.00 0.06 0.00 0.00 31.60 33.34 2f1d h MET 48 CO -0.03 1.03 0.00 1.28 1.06 0.00 0.00 176.91 180.25 2f1d n LEU 49 N -3.39 0.77 0.07 1.22 4.77 -0.41 -1.98 117.00 118.04 2f1d n LEU 49 Ca -0.12 0.63 -0.10 0.00 -0.03 0.00 0.00 56.01 56.39 2f1d n LEU 49 Cb 1.02 -0.46 -0.00 0.00 -2.33 0.00 0.00 43.42 41.65 2f1d n LEU 49 CO 0.50 -0.40 0.27 0.44 -1.33 0.00 0.00 177.39 176.86 2f1d h ASP 50 N 0.00 0.39 -0.22 -1.43 5.19 -1.22 -3.00 116.42 116.12 2f1d h ASP 50 Ca 0.00 -0.29 -0.15 0.00 -0.62 0.00 0.00 57.03 55.97 2f1d h ASP 50 Cb 0.54 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.94 2f1d h ASP 50 CO 0.00 1.07 -0.46 1.56 -3.12 0.00 0.00 179.24 178.29 2f1d h GLN 51 N 0.18 0.71 -0.33 3.56 1.08 -1.39 -0.39 115.11 118.53 2f1d h GLN 51 Ca -0.05 -0.46 0.05 0.00 -1.45 0.00 0.00 58.65 56.74 2f1d h GLN 51 Cb 1.46 0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 28.90 2f1d h GLN 51 CO 0.14 1.08 0.07 1.25 -0.95 0.00 0.00 178.83 180.42 2f1d h LEU 52 N 0.42 0.01 -0.18 1.46 5.85 -1.49 -2.37 115.31 119.02 2f1d h LEU 52 Ca 0.01 0.05 -0.14 0.00 0.84 0.00 0.00 57.88 58.64 2f1d h LEU 52 Cb 1.06 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.17 2f1d h LEU 52 CO 0.10 0.04 -0.45 0.00 -0.34 0.00 0.00 178.44 177.80 2f1d h ALA 53 N 1.25 0.29 0.00 1.25 0.00 -1.44 -2.67 119.26 117.94 2f1d h ALA 53 Ca 0.16 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 2f1d h ALA 53 Cb 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2f1d h ALA 53 CO -0.20 0.43 -0.18 1.03 0.00 0.00 0.00 179.25 180.32 2f1d h SER 54 N 0.28 0.00 0.00 0.00 0.87 -1.04 -2.01 113.55 111.65 2f1d h SER 54 Ca -0.01 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.21 2f1d h SER 54 Cb 1.06 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.96 2f1d h SER 54 CO 0.10 0.18 -2.28 1.41 -0.53 0.00 0.00 176.83 175.70 2f1d n HIS 55 N -3.20 0.00 -0.45 2.24 -0.00 -0.90 -4.36 115.22 108.56 2f1d n HIS 55 Ca 0.02 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.84 2f1d n HIS 55 Cb 0.52 -0.92 0.31 0.00 -0.00 0.00 0.00 29.99 29.89 2f1d n HIS 55 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2f1d n GLY 56 N 1.91 2.69 3.99 -1.41 0.00 -1.01 -4.45 105.19 106.91 2f1d n GLY 56 Ca -0.32 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 44.56 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 1.22 -0.31 -4.79 0.99 4.77 -1.02 -4.67 117.00 113.19 2f1d n LEU 57 Ca 0.23 -1.11 -0.22 0.00 -0.03 0.00 0.00 56.01 54.88 2f1d n LEU 57 Cb 0.69 -1.39 -0.05 0.00 -2.33 0.00 0.00 43.42 40.35 2f1d n LEU 57 CO 0.18 0.68 -0.18 -0.36 -1.33 0.00 0.00 177.39 176.37 2f1d s PHE 58 N -3.58 2.99 -0.31 -1.77 2.99 -0.79 -2.85 117.98 114.67 2f1d s PHE 58 Ca 0.37 -0.17 -0.06 0.00 0.00 0.00 0.00 56.93 57.07 2f1d s PHE 58 Cb -0.21 -1.43 0.02 0.00 0.00 0.00 0.00 43.02 41.41 2f1d s PHE 58 CO 0.85 0.48 0.07 -0.51 -0.00 0.00 0.00 175.22 176.11 2f1d s ASP 59 N -3.84 5.09 -0.21 1.36 1.01 -1.07 -2.49 116.67 116.52 2f1d s ASP 59 Ca 0.34 -0.91 -0.00 0.00 0.71 0.00 0.00 52.55 52.68 2f1d s ASP 59 Cb -0.07 -1.84 0.02 0.00 1.01 0.00 0.00 42.92 42.04 2f1d s ASP 59 CO 0.24 -0.24 -0.13 -0.69 0.21 0.00 0.00 175.17 174.56 2f1d s VAL 60 N 1.43 2.46 -0.31 -1.27 1.01 0.08 -1.74 120.40 122.06 2f1d s VAL 60 Ca 0.00 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.05 2f1d s VAL 60 Cb -0.18 -2.14 0.08 0.00 0.00 0.00 0.00 36.38 34.13 2f1d s VAL 60 CO 0.02 0.39 0.00 -2.28 0.00 0.00 0.00 175.10 173.22 2f1d s HIS 61 N 1.31 3.48 -0.04 5.22 5.04 -0.58 -1.75 115.29 127.98 2f1d s HIS 61 Ca 0.03 -2.51 0.07 0.00 -1.54 0.00 0.00 55.06 51.11 2f1d s HIS 61 Cb -0.15 -2.46 -0.02 0.00 0.04 0.00 0.00 32.58 29.99 2f1d s HIS 61 CO -0.09 -0.90 -0.24 0.08 -2.34 0.00 0.00 174.74 171.25 2f1d s VAL 62 N 1.06 2.20 -0.04 0.89 1.01 -1.08 -1.38 120.40 123.06 2f1d s VAL 62 Ca 0.01 -1.04 -0.01 0.00 0.00 0.00 0.00 61.98 60.94 2f1d s VAL 62 Cb -0.20 -1.79 0.03 0.00 0.00 0.00 0.00 36.38 34.43 2f1d s VAL 62 CO -0.05 0.58 0.07 -0.60 0.00 0.00 0.00 175.10 175.10 2f1d s ARG 63 N -0.46 -0.01 -0.03 2.72 6.06 -0.43 -2.14 118.95 124.67 2f1d s ARG 63 Ca 0.05 0.30 -0.17 0.00 -2.50 0.00 0.00 55.73 53.41 2f1d s ARG 63 Cb -0.11 -0.28 0.03 0.00 0.06 0.00 0.00 34.95 34.64 2f1d s ARG 63 CO 0.01 -0.21 0.37 0.00 -2.50 0.00 0.00 175.30 172.96 2f1d s ALA 64 N 1.41 -0.93 -0.02 6.12 0.00 -1.12 -1.93 121.76 125.29 2f1d s ALA 64 Ca -0.05 0.52 0.01 0.00 0.00 0.00 0.00 51.96 52.44 2f1d s ALA 64 Cb -0.12 0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.01 2f1d s ALA 64 CO -0.04 -0.27 -0.04 0.99 0.00 0.00 0.00 175.76 176.40 2f1d s THR 65 N -1.18 0.42 0.00 0.00 2.01 -1.01 -4.43 115.64 111.44 2f1d s THR 65 Ca -0.12 -0.14 0.00 0.00 0.31 0.00 0.00 61.69 61.74 2f1d s THR 65 Cb -0.04 -0.41 0.00 0.00 0.01 0.00 0.00 72.50 72.05 2f1d s THR 65 CO 0.05 0.16 0.00 0.61 -0.69 0.00 0.00 174.62 174.75 2f1d n GLY 66 N 3.54 3.76 1.19 4.40 0.00 -1.26 -1.27 105.19 115.55 2f1d n GLY 66 Ca -0.20 -0.88 -0.02 0.00 0.00 0.00 0.00 46.02 44.91 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 0.00 3.50 0.07 1.61 8.00 -1.24 -4.61 116.55 123.88 2f1d n ASP 67 Ca 0.00 -2.22 0.21 0.00 0.71 0.00 0.00 54.79 53.49 2f1d n ASP 67 Cb 0.00 -0.63 0.70 0.00 -0.02 0.00 0.00 41.12 41.17 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 0.25 0.29 -0.35 2.53 2.07 -1.94 0.55 116.25 119.64 2f1d h VAL 68 Ca 0.06 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.53 2f1d h VAL 68 Cb 1.14 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 2f1d h VAL 68 CO 0.11 0.00 -0.01 1.12 0.02 0.00 0.00 177.57 178.81 2f1d h HIS 69 N 0.00 0.58 0.24 1.57 2.07 -2.01 -3.23 115.15 114.37 2f1d h HIS 69 Ca 0.22 -0.06 -0.01 0.00 -2.85 0.00 0.00 60.37 57.67 2f1d h HIS 69 Cb 1.32 -0.17 0.00 0.00 2.57 0.00 0.00 27.41 31.13 2f1d h HIS 69 CO 0.00 0.57 -0.12 0.82 -3.07 0.00 0.00 177.93 176.14 2f1d h ILE 70 N 0.53 0.68 -1.15 6.12 2.04 -0.29 -3.50 117.51 121.94 2f1d h ILE 70 Ca 0.11 -0.90 0.27 0.00 1.00 0.00 0.00 64.86 65.35 2f1d h ILE 70 Cb 0.36 1.10 -0.23 0.00 -0.74 0.00 0.00 36.82 37.31 2f1d h ILE 70 CO 0.01 0.16 0.92 -0.62 0.00 0.00 0.00 178.15 178.62 2f1d s ASP 71 N -5.28 -0.06 0.00 1.72 2.15 -1.15 -5.04 116.67 109.02 2f1d s ASP 71 Ca -0.12 0.03 0.27 0.00 0.43 0.00 0.00 52.55 53.16 2f1d s ASP 71 Cb 0.01 0.06 0.94 0.00 -0.30 0.00 0.00 42.92 43.62 2f1d s ASP 71 CO 0.46 -0.08 1.70 0.47 -0.17 0.00 0.00 175.17 177.55 2f1d n ASP 72 N 0.20 0.37 -0.28 -0.34 8.00 -1.26 -3.87 116.55 119.38 2f1d n ASP 72 Ca 0.02 -0.15 -0.03 0.00 0.71 0.00 0.00 54.79 55.34 2f1d n ASP 72 Cb 0.58 -0.07 0.09 0.00 -0.02 0.00 0.00 41.12 41.69 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 0.23 0.92 0.20 1.24 2.76 -1.96 -1.78 115.15 116.76 2f1d h HIS 73 Ca 0.00 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 2f1d h HIS 73 Cb 0.46 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 29.12 2f1d h HIS 73 CO 0.00 0.54 -0.09 0.45 -1.30 0.00 0.00 177.93 177.52 2f1d h HIS 74 N 0.96 -0.24 -0.80 5.26 3.86 -1.96 -2.54 115.15 119.69 2f1d h HIS 74 Ca 0.30 -0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.56 2f1d h HIS 74 Cb -0.02 0.08 -0.06 0.00 1.06 0.00 0.00 27.41 28.48 2f1d h HIS 74 CO -0.03 0.11 0.48 1.15 0.86 0.00 0.00 177.93 180.50 2f1d h THR 75 N -0.64 1.03 -0.51 2.45 2.02 -1.83 -1.54 112.91 113.88 2f1d h THR 75 Ca -0.03 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 66.85 2f1d h THR 75 Cb 0.46 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 2f1d h THR 75 CO 0.04 0.16 0.32 -1.13 0.37 0.00 0.00 175.52 175.29 2f1d h ASN 76 N 0.89 0.61 -0.24 4.18 -0.73 -1.34 -1.76 115.58 117.18 2f1d h ASN 76 Ca 0.35 -0.05 -0.08 0.00 1.87 0.00 0.00 56.30 58.40 2f1d h ASN 76 Cb 0.16 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 38.59 2f1d h ASN 76 CO -0.17 0.47 -0.14 -0.08 -0.37 0.00 0.00 177.43 177.14 2f1d h GLU 77 N 0.69 0.53 -0.08 6.67 4.81 -0.96 -2.50 114.58 123.73 2f1d h GLU 77 Ca 0.19 -0.24 -0.17 0.00 -0.13 0.00 0.00 59.36 59.01 2f1d h GLU 77 Cb -0.03 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 2f1d h GLU 77 CO -0.04 0.80 -0.67 -0.44 -0.73 0.00 0.00 179.01 177.93 2f1d h ASP 78 N 0.24 0.41 -0.00 1.04 3.32 -1.17 0.41 116.42 120.67 2f1d h ASP 78 Ca 0.05 -0.26 -0.05 0.00 0.02 0.00 0.00 57.03 56.80 2f1d h ASP 78 Cb 0.66 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 2f1d h ASP 78 CO 0.04 0.97 -0.12 0.40 -1.72 0.00 0.00 179.24 178.81 2f1d h ILE 79 N 0.25 1.18 -0.08 0.35 2.04 -1.37 -2.33 117.51 117.54 2f1d h ILE 79 Ca -0.02 -0.78 -0.10 0.00 1.00 0.00 0.00 64.86 64.96 2f1d h ILE 79 Cb 1.22 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 2f1d h ILE 79 CO 0.11 0.25 -0.33 0.00 0.00 0.00 0.00 178.15 178.18 2f1d h ALA 80 N 1.63 0.15 -0.32 1.87 0.00 -0.85 -2.31 119.26 119.44 2f1d h ALA 80 Ca 0.05 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 2f1d h ALA 80 Cb 0.37 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2f1d h ALA 80 CO 0.02 0.21 -0.19 -0.07 0.00 0.00 0.00 179.25 179.22 2f1d h LEU 81 N -0.10 0.59 0.59 0.00 3.38 -0.93 -2.78 115.31 116.07 2f1d h LEU 81 Ca -0.02 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 2f1d h LEU 81 Cb 0.97 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.57 2f1d h LEU 81 CO 0.07 0.79 -0.28 0.00 0.09 0.00 0.00 178.44 179.10 2f1d h ALA 82 N 1.27 -1.21 -1.02 1.53 0.00 -1.43 -2.47 119.26 115.92 2f1d h ALA 82 Ca 0.08 -0.17 0.26 0.00 0.00 0.00 0.00 54.91 55.08 2f1d h ALA 82 Cb 0.62 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 2f1d h ALA 82 CO 0.04 -1.16 0.68 0.82 0.00 0.00 0.00 179.25 179.63 2f1d h ILE 83 N -0.79 0.55 -0.30 0.00 2.04 -1.38 0.20 117.51 117.82 2f1d h ILE 83 Ca -0.08 -0.11 -0.09 0.00 1.00 0.00 0.00 64.86 65.59 2f1d h ILE 83 Cb 0.61 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 2f1d h ILE 83 CO 0.13 0.06 -0.15 1.23 0.00 0.00 0.00 178.15 179.42 2f1d h GLY 84 N 0.32 0.67 1.22 5.37 0.00 -1.46 -1.61 103.07 107.57 2f1d h GLY 84 Ca 0.55 -0.61 -0.09 0.00 0.00 0.00 0.00 47.33 47.18 2f1d h GLY 84 CO -0.21 0.56 -0.01 -0.84 0.00 0.00 0.00 176.54 176.04 2f1d h THR 85 N 0.37 1.26 0.00 4.70 2.02 -0.52 -2.20 112.91 118.54 2f1d h THR 85 Ca 0.07 -1.10 -0.04 0.00 0.77 0.00 0.00 66.41 66.10 2f1d h THR 85 Cb 0.67 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 2f1d h THR 85 CO 0.04 0.39 -0.21 0.00 0.37 0.00 0.00 175.52 176.12 2f1d h ALA 86 N 1.12 1.06 -0.08 6.16 0.00 -1.25 -1.71 119.26 124.55 2f1d h ALA 86 Ca 0.16 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2f1d h ALA 86 Cb 0.52 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2f1d h ALA 86 CO 0.03 0.27 0.01 1.25 0.00 0.00 0.00 179.25 180.80 2f1d h LEU 87 N 0.00 0.12 -0.83 0.00 5.85 -0.97 -2.81 115.31 116.68 2f1d h LEU 87 Ca -0.00 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 2f1d h LEU 87 Cb 0.68 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 2f1d h LEU 87 CO 0.03 0.35 0.46 0.25 -0.34 0.00 0.00 178.44 179.19 2f1d h LEU 88 N -0.11 1.03 -0.61 2.25 5.85 -0.72 -1.82 115.31 121.17 2f1d h LEU 88 Ca 0.02 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.56 2f1d h LEU 88 Cb 0.28 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 2f1d h LEU 88 CO 0.00 0.82 0.03 0.11 -0.34 0.00 0.00 178.44 179.06 2f1d h LYS 89 N 1.15 1.07 -0.32 1.25 1.57 -1.47 -2.89 116.57 116.93 2f1d h LYS 89 Ca 0.29 -0.32 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 2f1d h LYS 89 Cb 0.02 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 2f1d h LYS 89 CO -0.05 1.03 -0.18 0.00 -0.57 0.00 0.00 179.45 179.67 2f1d h ALA 90 N 1.00 1.08 -0.05 3.86 0.00 -1.13 -3.09 119.26 120.94 2f1d h ALA 90 Ca 0.18 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2f1d h ALA 90 Cb 0.53 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2f1d h ALA 90 CO 0.03 0.56 -0.03 -0.07 0.00 0.00 0.00 179.25 179.74 2f1d h LEU 91 N 0.53 0.11 0.00 0.00 3.38 -1.35 -3.41 115.31 114.57 2f1d h LEU 91 Ca 0.08 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2f1d h LEU 91 Cb 0.62 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2f1d h LEU 91 CO 0.04 0.52 0.00 0.61 0.09 0.00 0.00 178.44 179.70 2f1d n GLY 92 N 0.06 1.48 0.04 0.83 0.00 -1.09 -2.98 105.19 103.53 2f1d n GLY 92 Ca -0.07 -0.68 0.05 0.00 0.00 0.00 0.00 46.02 45.31 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 12.85 0.04 -2.88 1.61 -0.00 -1.26 -4.85 120.64 126.15 2f1d n GLU 93 Ca 0.00 0.46 -0.09 0.00 -0.00 0.00 0.00 57.16 57.53 2f1d n GLU 93 Cb 0.00 -1.62 0.03 0.00 -0.00 0.00 0.00 31.44 29.85 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 -1.71 -2.99 -2.79 3.44 1.74 -1.16 -4.99 116.66 108.21 2f1d n ARG 94 Ca 0.01 0.32 -0.41 0.00 -0.77 0.00 0.00 57.85 56.99 2f1d n ARG 94 Cb 0.07 -3.79 -0.03 0.00 -1.02 0.00 0.00 32.46 27.69 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 -5.40 4.51 0.00 5.56 -0.14 -1.26 -4.19 119.74 118.83 2f1d s LYS 95 Ca 0.20 1.28 0.00 0.00 -1.36 0.00 0.00 55.97 56.09 2f1d s LYS 95 Cb -0.09 -3.47 0.00 0.00 -1.68 0.00 0.00 37.83 32.59 2f1d s LYS 95 CO 0.28 -0.05 0.00 0.41 -0.76 0.00 0.00 175.35 175.22 2f1d n GLY 96 N 2.98 1.08 3.86 -3.33 0.00 -1.26 -4.98 105.19 103.54 2f1d n GLY 96 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.90 4.65 0.26 -0.61 -4.36 -1.26 -0.89 121.20 116.09 2f1d s ILE 97 Ca 0.00 0.96 -0.02 0.00 -0.26 0.00 0.00 60.65 61.33 2f1d s ILE 97 Cb 0.00 -3.78 0.26 0.00 1.25 0.00 0.00 42.46 40.19 2f1d s ILE 97 CO 0.00 -0.81 1.86 0.78 0.24 0.00 0.00 174.94 177.01 2f1d h ASN 98 N 0.57 0.95 0.00 4.36 2.35 -1.50 -3.44 115.58 118.86 2f1d h ASN 98 Ca -0.46 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 2f1d h ASN 98 Cb 1.19 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.38 2f1d h ASN 98 CO 0.62 0.58 0.00 -1.14 -1.65 0.00 0.00 177.43 175.84 2f1d n ARG 99 N -4.57 0.00 -3.77 0.81 0.63 -0.04 -4.93 116.66 104.79 2f1d n ARG 99 Ca 0.15 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.72 2f1d n ARG 99 Cb 0.23 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.07 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 -0.07 3.55 0.04 -0.14 0.40 -1.26 -1.96 117.98 118.55 2f1d s PHE 100 Ca 0.00 0.54 0.08 0.00 -0.60 0.00 0.00 56.93 56.95 2f1d s PHE 100 Cb 0.00 -2.07 -0.03 0.00 0.51 0.00 0.00 43.02 41.43 2f1d s PHE 100 CO 0.00 0.57 -0.23 0.20 0.70 0.00 0.00 175.22 176.46 2f1d s GLY 101 N -0.55 1.22 -0.31 4.36 0.00 -0.51 -3.85 107.32 107.67 2f1d s GLY 101 Ca 0.14 -1.13 0.04 0.00 0.00 0.00 0.00 44.72 43.78 2f1d s GLY 101 CO 0.04 -1.03 0.49 -0.35 0.00 0.00 0.00 173.10 172.24 2f1d s ASP 102 N -1.15 -0.38 0.00 1.64 2.15 -1.26 -0.51 116.67 117.16 2f1d s ASP 102 Ca 0.09 -0.40 0.02 0.00 0.43 0.00 0.00 52.55 52.70 2f1d s ASP 102 Cb -0.09 1.44 -0.01 0.00 -0.30 0.00 0.00 42.92 43.96 2f1d s ASP 102 CO 0.02 -0.30 -0.07 0.12 -0.17 0.00 0.00 175.17 174.76 2f1d s PHE 103 N 2.42 0.60 -0.11 -5.34 5.36 -0.16 -4.98 117.98 115.77 2f1d s PHE 103 Ca 0.11 -0.18 -0.01 0.00 -0.96 0.00 0.00 56.93 55.90 2f1d s PHE 103 Cb -0.11 -0.38 -0.03 0.00 -0.34 0.00 0.00 43.02 42.16 2f1d s PHE 103 CO -0.23 -0.02 -0.07 0.99 -1.46 0.00 0.00 175.22 174.43 2f1d s THR 104 N -0.36 3.68 -0.04 0.12 2.01 -1.26 -0.59 115.64 119.21 2f1d s THR 104 Ca 0.00 -0.46 -0.01 0.00 0.31 0.00 0.00 61.69 61.53 2f1d s THR 104 Cb -0.04 -2.55 0.03 0.00 0.01 0.00 0.00 72.50 69.95 2f1d s THR 104 CO -0.00 0.55 0.03 0.00 -0.69 0.00 0.00 174.62 174.52 2f1d s ALA 105 N -0.25 0.25 0.35 7.40 0.00 -0.39 -4.98 121.76 124.13 2f1d s ALA 105 Ca 0.04 0.19 -0.17 0.00 0.00 0.00 0.00 51.96 52.02 2f1d s ALA 105 Cb -0.13 -0.47 -0.10 0.00 0.00 0.00 0.00 23.12 22.43 2f1d s ALA 105 CO 0.03 -0.30 0.80 -1.25 0.00 0.00 0.00 175.76 175.03 2f1d s PRO 106 N 1.63 4.08 -0.23 0.00 0.04 -1.26 -2.30 135.00 136.95 2f1d s PRO 106 Ca -0.02 0.81 -0.04 0.00 0.04 0.00 0.00 61.00 61.79 2f1d s PRO 106 Cb -0.13 -2.38 0.08 0.00 0.04 0.00 0.00 34.50 32.11 2f1d s PRO 106 CO -0.03 0.11 0.09 -1.17 0.04 0.00 0.00 177.00 176.04 2f1d s LEU 107 N -3.00 0.90 0.00 -3.56 2.96 -0.96 -4.96 118.68 110.05 2f1d s LEU 107 Ca 0.56 -1.00 0.00 0.00 -0.22 0.00 0.00 54.13 53.47 2f1d s LEU 107 Cb -0.10 -0.46 0.00 0.00 0.50 0.00 0.00 46.19 46.13 2f1d s LEU 107 CO 0.16 -0.37 0.00 0.47 -1.32 0.00 0.00 176.35 175.29 2f1d n ASP 108 N 5.14 0.00 0.11 3.68 8.00 -1.26 -1.98 116.55 130.25 2f1d n ASP 108 Ca -0.07 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.55 2f1d n ASP 108 Cb 0.46 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.58 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 -7.31 -1.24 9.09 -1.97 -3.46 114.58 109.69 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 0.07 0.00 -1.65 0.00 0.00 28.75 27.17 2f1d h GLU 109 CO 0.00 0.00 0.32 0.00 0.05 0.00 0.00 179.01 179.38 2f1d s ALA 110 N -3.34 3.09 -0.30 1.06 0.00 -0.84 -3.92 121.76 117.52 2f1d s ALA 110 Ca 0.01 -0.44 -0.07 0.00 0.00 0.00 0.00 51.96 51.46 2f1d s ALA 110 Cb 0.10 -2.86 0.19 0.00 0.00 0.00 0.00 23.12 20.54 2f1d s ALA 110 CO 0.78 -0.91 0.87 -1.17 0.00 0.00 0.00 175.76 175.33 2f1d s LEU 111 N -5.17 -0.86 -0.11 0.00 2.96 -0.76 -2.28 118.68 112.46 2f1d s LEU 111 Ca 0.56 0.33 0.02 0.00 -0.22 0.00 0.00 54.13 54.82 2f1d s LEU 111 Cb -0.11 1.64 -0.01 0.00 0.50 0.00 0.00 46.19 48.21 2f1d s LEU 111 CO 0.49 -0.16 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.54 2f1d s ILE 112 N 2.91 2.53 -0.30 6.68 -1.09 -0.97 -1.14 121.20 129.81 2f1d s ILE 112 Ca 0.13 -0.86 -0.10 0.00 -2.23 0.00 0.00 60.65 57.59 2f1d s ILE 112 Cb -0.09 -2.01 -0.02 0.00 -1.58 0.00 0.00 42.46 38.77 2f1d s ILE 112 CO -0.19 0.55 0.15 -2.28 -1.23 0.00 0.00 174.94 171.94 2f1d s HIS 113 N 0.24 3.17 -0.14 3.97 5.65 0.22 -1.27 115.29 127.14 2f1d s HIS 113 Ca -0.13 -0.46 -0.03 0.00 0.25 0.00 0.00 55.06 54.70 2f1d s HIS 113 Cb -0.16 -2.35 -0.03 0.00 -1.18 0.00 0.00 32.58 28.86 2f1d s HIS 113 CO 0.07 -0.41 -0.05 0.08 -0.65 0.00 0.00 174.74 173.79 2f1d s VAL 114 N 1.63 3.83 -0.19 0.89 1.01 0.25 -1.03 120.40 126.79 2f1d s VAL 114 Ca 0.05 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.60 2f1d s VAL 114 Cb -0.17 -2.65 0.08 0.00 0.00 0.00 0.00 36.38 33.64 2f1d s VAL 114 CO 0.07 0.52 0.17 -0.55 0.00 0.00 0.00 175.10 175.30 2f1d s SER 115 N 0.10 1.84 0.30 3.32 0.15 -0.61 -0.99 113.70 117.82 2f1d s SER 115 Ca -0.01 -0.43 0.10 0.00 0.70 0.00 0.00 55.95 56.31 2f1d s SER 115 Cb -0.14 0.11 -0.05 0.00 -1.71 0.00 0.00 66.02 64.23 2f1d s SER 115 CO 0.03 -0.34 -0.04 -1.48 1.20 0.00 0.00 173.24 172.61 2f1d s LEU 116 N 2.24 2.96 -0.06 3.45 0.05 0.33 -1.77 118.68 125.90 2f1d s LEU 116 Ca 0.05 -0.90 -0.02 0.00 0.05 0.00 0.00 54.13 53.31 2f1d s LEU 116 Cb -0.16 -1.41 0.04 0.00 -2.05 0.00 0.00 46.19 42.61 2f1d s LEU 116 CO -0.12 -0.11 0.11 -0.62 -0.55 0.00 0.00 176.35 175.06 2f1d s ASP 117 N -3.66 0.40 -1.14 1.48 2.15 -0.39 -1.42 116.67 114.09 2f1d s ASP 117 Ca 0.33 0.21 -0.20 0.00 0.43 0.00 0.00 52.55 53.32 2f1d s ASP 117 Cb -0.03 0.10 0.08 0.00 -0.30 0.00 0.00 42.92 42.76 2f1d s ASP 117 CO 0.19 -0.19 1.53 -0.76 -0.17 0.00 0.00 175.17 175.76 2f1d s LEU 118 N 1.65 3.95 -0.05 -1.34 1.43 -0.83 -0.98 118.68 122.52 2f1d s LEU 118 Ca -0.03 -2.06 0.20 0.00 -1.03 0.00 0.00 54.13 51.21 2f1d s LEU 118 Cb -0.12 -2.54 -0.30 0.00 0.03 0.00 0.00 46.19 43.26 2f1d s LEU 118 CO -0.05 -1.25 0.38 -1.54 0.23 0.00 0.00 176.35 174.12 2f1d n SER 119 N 8.12 0.40 -0.08 2.29 3.41 -1.18 -4.96 113.62 121.63 2f1d n SER 119 Ca 0.39 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.99 2f1d n SER 119 Cb 0.48 1.76 -0.00 0.00 -0.26 0.00 0.00 64.21 66.19 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 1.44 0.49 2.73 5.00 0.00 -0.64 -5.04 105.19 109.17 2f1d n GLY 120 Ca -0.08 -0.48 -0.24 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.15 0.41 0.12 1.61 0.52 -1.24 -4.93 118.95 114.30 2f1d s ARG 121 Ca 0.00 0.05 -0.30 0.00 -0.52 0.00 0.00 55.73 54.96 2f1d s ARG 121 Cb 0.00 -1.18 -0.06 0.00 0.52 0.00 0.00 34.95 34.23 2f1d s ARG 121 CO 0.00 -0.41 1.01 -1.25 0.02 0.00 0.00 175.30 174.67 2f1d s PRO 122 N 2.01 4.65 -0.28 3.54 0.04 -1.26 -3.70 135.00 140.00 2f1d s PRO 122 Ca 0.04 1.54 -0.16 0.00 0.04 0.00 0.00 61.00 62.46 2f1d s PRO 122 Cb -0.13 -3.35 0.09 0.00 0.04 0.00 0.00 34.50 31.14 2f1d s PRO 122 CO -0.06 0.15 0.69 -0.47 0.04 0.00 0.00 177.00 177.35 2f1d s TYR 123 N 0.01 -1.08 -0.17 0.56 5.04 -0.82 -4.96 117.35 115.94 2f1d s TYR 123 Ca 0.48 2.14 -0.03 0.00 -2.44 0.00 0.00 57.07 57.22 2f1d s TYR 123 Cb -0.25 0.65 -0.02 0.00 0.35 0.00 0.00 41.96 42.69 2f1d s TYR 123 CO 0.31 -0.54 -0.06 -1.17 -1.34 0.00 0.00 175.55 172.76 2f1d s LEU 124 N 1.73 3.04 -0.48 6.97 2.96 -1.26 -1.03 118.68 130.61 2f1d s LEU 124 Ca -0.10 -0.24 -0.04 0.00 -0.22 0.00 0.00 54.13 53.53 2f1d s LEU 124 Cb -0.06 -1.74 0.13 0.00 0.50 0.00 0.00 46.19 45.03 2f1d s LEU 124 CO -0.20 0.12 0.29 -0.83 -1.32 0.00 0.00 176.35 174.41 2f1d s GLY 125 N 0.67 2.16 -0.41 7.98 0.00 -0.80 -5.03 107.32 111.89 2f1d s GLY 125 Ca -0.03 -2.76 -0.10 0.00 0.00 0.00 0.00 44.72 41.82 2f1d s GLY 125 CO 0.02 1.06 0.25 -0.47 0.00 0.00 0.00 173.10 173.96 2f1d s TYR 126 N 0.79 3.29 -0.55 1.90 5.04 -1.26 -0.92 117.35 125.64 2f1d s TYR 126 Ca 0.11 -1.27 0.06 0.00 -2.44 0.00 0.00 57.07 53.52 2f1d s TYR 126 Cb -0.22 -2.77 0.34 0.00 0.35 0.00 0.00 41.96 39.66 2f1d s TYR 126 CO -0.04 -0.77 0.92 0.09 -1.34 0.00 0.00 175.55 174.41 2f1d n ASN 127 N 4.97 3.98 -4.09 4.32 4.13 -0.96 -5.02 115.26 122.58 2f1d n ASN 127 Ca -0.11 -3.59 -0.31 0.00 1.68 0.00 0.00 54.58 52.25 2f1d n ASN 127 Cb 0.44 -0.57 -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 -3.33 1.89 -0.28 3.41 2.96 -1.26 -2.92 118.68 119.15 2f1d s LEU 128 Ca 0.48 -0.52 -0.03 0.00 -0.22 0.00 0.00 54.13 53.84 2f1d s LEU 128 Cb 0.29 -1.27 0.03 0.00 0.50 0.00 0.00 46.19 45.75 2f1d s LEU 128 CO -0.13 0.02 -0.01 -1.83 -1.32 0.00 0.00 176.35 173.09 2f1d s GLU 129 N 1.05 2.69 -0.31 1.98 -1.05 -1.26 -5.08 118.70 116.72 2f1d s GLU 129 Ca -0.04 -1.09 -0.12 0.00 -0.15 0.00 0.00 54.97 53.58 2f1d s GLU 129 Cb -0.15 -3.15 -0.03 0.00 -0.44 0.00 0.00 34.13 30.37 2f1d s GLU 129 CO -0.04 -0.51 0.21 0.42 0.95 0.00 0.00 175.26 176.29 2f1d s ILE 130 N 1.33 5.25 -1.06 1.83 1.01 -1.26 -4.99 121.20 123.30 2f1d s ILE 130 Ca -0.02 -0.06 0.15 0.00 0.00 0.00 0.00 60.65 60.72 2f1d s ILE 130 Cb -0.18 -3.61 0.14 0.00 0.01 0.00 0.00 42.46 38.82 2f1d s ILE 130 CO -0.02 0.11 1.47 -0.81 0.00 0.00 0.00 174.94 175.69 2f1d n PRO 131 N 5.08 0.03 -4.24 2.79 -0.04 -1.26 -4.74 135.00 132.61 2f1d n PRO 131 Ca -0.13 0.23 -0.21 0.00 -0.04 0.00 0.00 63.50 63.34 2f1d n PRO 131 Cb 0.51 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.35 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 -2.94 1.46 -0.68 0.52 -4.23 -1.26 -5.06 115.64 103.45 2f1d s THR 132 Ca 0.08 -1.49 0.25 0.00 -1.18 0.00 0.00 61.69 59.36 2f1d s THR 132 Cb 0.10 -1.39 0.22 0.00 1.34 0.00 0.00 72.50 72.77 2f1d s THR 132 CO 0.27 -0.17 1.64 1.56 -0.54 0.00 0.00 174.62 177.37 2f1d h GLN 133 N 4.06 0.00 -2.76 3.99 4.20 -1.95 -3.45 115.11 119.21 2f1d h GLN 133 Ca -0.43 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.15 2f1d h GLN 133 Cb 1.19 0.00 -0.25 0.00 0.30 0.00 0.00 27.48 28.71 2f1d h GLN 133 CO 0.41 0.00 -0.29 1.03 -0.67 0.00 0.00 178.83 179.31 2f1d s ARG 134 N -3.13 0.41 -0.39 1.46 0.52 -1.26 -2.46 118.95 114.10 2f1d s ARG 134 Ca 0.09 0.63 -0.02 0.00 -0.52 0.00 0.00 55.73 55.92 2f1d s ARG 134 Cb 0.12 0.10 0.11 0.00 0.52 0.00 0.00 34.95 35.80 2f1d s ARG 134 CO 0.64 -0.10 0.17 0.14 0.02 0.00 0.00 175.30 176.16 2f1d s VAL 135 N 0.74 3.10 0.00 3.52 -7.23 -1.08 -4.91 120.40 114.54 2f1d s VAL 135 Ca -0.04 -2.08 0.00 0.00 -1.81 0.00 0.00 61.98 58.05 2f1d s VAL 135 Cb -0.05 -3.14 0.00 0.00 0.56 0.00 0.00 36.38 33.75 2f1d s VAL 135 CO -0.05 -0.65 0.00 0.61 -0.31 0.00 0.00 175.10 174.70 2f1d n GLY 136 N 4.54 2.56 0.58 2.32 0.00 -1.26 -2.71 105.19 111.22 2f1d n GLY 136 Ca -0.02 -0.14 0.07 0.00 0.00 0.00 0.00 46.02 45.94 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 1.75 -3.26 2.61 -2.24 -1.26 -4.98 114.28 106.89 2f1d n THR 137 Ca 0.00 -1.63 -0.42 0.00 -2.27 0.00 0.00 64.05 59.73 2f1d n THR 137 Cb 0.00 0.02 -0.08 0.00 -2.10 0.00 0.00 70.33 68.17 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 -2.17 3.15 0.20 4.78 5.04 -1.10 -5.00 117.35 122.25 2f1d s TYR 138 Ca 0.31 -0.14 -0.33 0.00 -2.44 0.00 0.00 57.07 54.48 2f1d s TYR 138 Cb 0.24 -2.99 -0.14 0.00 0.35 0.00 0.00 41.96 39.42 2f1d s TYR 138 CO 0.09 -0.68 1.50 -3.47 -1.34 0.00 0.00 175.55 171.65 2f1d n ASP 139 N 5.77 2.97 0.03 4.32 -0.08 -1.26 -2.63 116.55 125.68 2f1d n ASP 139 Ca -0.05 1.11 0.12 0.00 -1.51 0.00 0.00 54.79 54.45 2f1d n ASP 139 Cb 0.48 -1.43 0.13 0.00 2.34 0.00 0.00 41.12 42.63 2f1d n ASP 139 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2f1d n THR 140 N 2.71 0.21 0.27 5.18 -1.04 -1.03 -3.10 114.28 117.48 2f1d n THR 140 Ca 0.14 -0.20 0.16 0.00 -2.04 0.00 0.00 64.05 62.11 2f1d n THR 140 Cb 0.30 0.09 0.67 0.00 -1.82 0.00 0.00 70.33 69.57 2f1d n THR 140 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 2f1d h GLN 141 N 0.00 0.00 0.00 -2.82 4.20 -1.90 -3.16 115.11 111.44 2f1d h GLN 141 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2f1d h GLN 141 Cb 0.69 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.47 2f1d h GLN 141 CO 0.00 0.06 0.00 -0.07 -0.67 0.00 0.00 178.83 178.15 2f1d h LEU 142 N 0.00 0.00 0.40 1.46 4.07 -1.93 -2.83 115.31 116.48 2f1d h LEU 142 Ca -0.00 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 2f1d h LEU 142 Cb 0.52 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.26 2f1d h LEU 142 CO 0.01 0.00 -0.22 0.58 -1.08 0.00 0.00 178.44 177.72 2f1d h VAL 143 N 0.00 0.54 -0.73 1.22 2.07 -1.76 0.40 116.25 117.99 2f1d h VAL 143 Ca 0.00 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 2f1d h VAL 143 Cb 0.45 0.54 -0.07 0.00 -1.52 0.00 0.00 31.29 30.69 2f1d h VAL 143 CO 0.00 0.00 0.38 -0.08 0.02 0.00 0.00 177.57 177.89 2f1d h GLU 144 N -0.59 0.63 -0.28 1.57 4.81 -1.73 -2.63 114.58 116.36 2f1d h GLU 144 Ca -0.05 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.02 2f1d h GLU 144 Cb 0.47 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 2f1d h GLU 144 CO 0.07 0.42 -0.35 1.25 -0.73 0.00 0.00 179.01 179.67 2f1d h HIS 145 N 0.65 0.73 0.34 0.92 2.76 -1.39 -0.98 115.15 118.19 2f1d h HIS 145 Ca 0.36 -0.20 -0.00 0.00 -2.20 0.00 0.00 60.37 58.33 2f1d h HIS 145 Cb 0.35 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.13 2f1d h HIS 145 CO -0.09 0.89 -0.30 0.35 -1.30 0.00 0.00 177.93 177.48 2f1d h PHE 146 N 0.52 -0.79 0.00 5.26 3.57 -0.56 -1.94 116.94 123.00 2f1d h PHE 146 Ca 0.06 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.45 2f1d h PHE 146 Cb 0.85 0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.87 2f1d h PHE 146 CO 0.04 -0.43 -0.50 0.74 -2.23 0.00 0.00 178.31 175.92 2f1d h PHE 147 N -0.65 0.00 -0.10 0.41 -1.00 -1.38 -1.27 116.94 112.96 2f1d h PHE 147 Ca -0.02 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.62 2f1d h PHE 147 Cb 0.58 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.13 2f1d h PHE 147 CO -0.16 0.50 -0.54 0.37 -1.61 0.00 0.00 178.31 176.87 2f1d h GLN 148 N 0.00 0.28 0.08 1.51 5.75 -1.08 -1.99 115.11 119.66 2f1d h GLN 148 Ca -0.01 -0.17 -0.29 0.00 -0.15 0.00 0.00 58.65 58.03 2f1d h GLN 148 Cb 0.89 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.44 2f1d h GLN 148 CO 0.07 0.75 -1.54 0.77 -2.65 0.00 0.00 178.83 176.23 2f1d h SER 149 N 0.22 0.25 -0.52 -0.69 0.02 -1.20 -3.04 113.55 108.59 2f1d h SER 149 Ca 0.00 -0.38 -0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2f1d h SER 149 Cb 1.03 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.46 2f1d h SER 149 CO 0.09 1.32 0.32 0.25 -1.14 0.00 0.00 176.83 177.67 2f1d h LEU 150 N 0.04 0.62 -0.06 5.07 6.46 -1.18 -2.73 115.31 123.54 2f1d h LEU 150 Ca -0.24 -0.03 -0.24 0.00 -0.12 0.00 0.00 57.88 57.25 2f1d h LEU 150 Cb 1.98 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 41.76 2f1d h LEU 150 CO 0.13 0.48 -1.06 0.58 -0.62 0.00 0.00 178.44 177.95 2f1d h VAL 151 N 0.72 1.46 -0.39 1.05 2.07 -1.41 -1.85 116.25 117.90 2f1d h VAL 151 Ca 0.19 -2.73 -0.04 0.00 0.82 0.00 0.00 66.70 64.94 2f1d h VAL 151 Cb -0.03 2.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.36 2f1d h VAL 151 CO -0.04 0.80 0.07 0.78 0.02 0.00 0.00 177.57 179.21 2f1d h ASN 152 N 0.15 0.53 0.07 0.57 4.21 -1.36 -0.61 115.58 119.15 2f1d h ASN 152 Ca -0.10 -0.08 -0.32 0.00 1.21 0.00 0.00 56.30 57.01 2f1d h ASN 152 Cb 1.73 -0.14 -0.03 0.00 -1.12 0.00 0.00 38.32 38.77 2f1d h ASN 152 CO 0.18 0.55 -1.74 0.35 -1.29 0.00 0.00 177.43 175.48 2f1d n THR 153 N -4.31 1.68 -0.33 2.81 -2.24 -1.20 -4.28 114.28 106.40 2f1d n THR 153 Ca 0.02 -0.41 0.14 0.00 -2.27 0.00 0.00 64.05 61.53 2f1d n THR 153 Cb 0.21 -1.85 0.35 0.00 -2.10 0.00 0.00 70.33 66.93 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 -0.36 0.73 -4.87 3.42 0.87 -1.31 -3.42 113.55 108.62 2f1d h SER 154 Ca -0.40 0.08 -0.20 0.00 -1.23 0.00 0.00 61.79 60.03 2f1d h SER 154 Cb 1.75 -0.05 0.15 0.00 -0.44 0.00 0.00 62.40 63.81 2f1d h SER 154 CO -0.04 0.28 -0.65 0.61 -0.53 0.00 0.00 176.83 176.50 2f1d n GLY 155 N -1.37 -0.58 3.27 5.77 0.00 -0.24 -4.75 105.19 107.29 2f1d n GLY 155 Ca 0.22 0.30 -0.28 0.00 0.00 0.00 0.00 46.02 46.26 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 -4.27 1.76 -0.55 1.61 -2.45 -1.21 -1.62 119.30 112.57 2f1d s MET 156 Ca 0.28 -0.89 -0.18 0.00 -1.25 0.00 0.00 55.69 53.66 2f1d s MET 156 Cb -0.04 -1.77 0.10 0.00 1.25 0.00 0.00 34.83 34.37 2f1d s MET 156 CO 0.57 0.48 0.60 0.99 1.05 0.00 0.00 175.02 178.70 2f1d s THR 157 N -0.63 5.00 -0.09 10.11 2.01 -0.15 -1.95 115.64 129.95 2f1d s THR 157 Ca 0.09 -1.12 0.00 0.00 0.31 0.00 0.00 61.69 60.98 2f1d s THR 157 Cb -0.09 -4.38 -0.03 0.00 0.01 0.00 0.00 72.50 68.01 2f1d s THR 157 CO 0.00 -0.95 -0.08 -0.22 -0.69 0.00 0.00 174.62 172.68 2f1d s LEU 158 N 2.21 3.05 -0.23 4.42 2.96 -0.20 -1.27 118.68 129.62 2f1d s LEU 158 Ca 0.08 -0.11 -0.00 0.00 -0.22 0.00 0.00 54.13 53.87 2f1d s LEU 158 Cb -0.26 -1.68 0.06 0.00 0.50 0.00 0.00 46.19 44.82 2f1d s LEU 158 CO 0.06 0.29 -0.01 -1.00 -1.32 0.00 0.00 176.35 174.37 2f1d s HIS 159 N -0.39 1.92 -0.19 5.38 3.76 -0.73 -1.91 115.29 123.13 2f1d s HIS 159 Ca 0.05 -1.49 -0.08 0.00 -0.15 0.00 0.00 55.06 53.40 2f1d s HIS 159 Cb -0.12 -1.44 -0.04 0.00 1.11 0.00 0.00 32.58 32.08 2f1d s HIS 159 CO 0.02 -0.73 0.07 0.42 -0.85 0.00 0.00 174.74 173.67 2f1d s ILE 160 N 1.55 4.82 -0.07 0.60 1.01 -0.09 -1.57 121.20 127.44 2f1d s ILE 160 Ca -0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 60.65 60.58 2f1d s ILE 160 Cb -0.18 -3.18 0.03 0.00 0.01 0.00 0.00 42.46 39.14 2f1d s ILE 160 CO -0.08 0.45 0.02 -0.13 0.00 0.00 0.00 174.94 175.20 2f1d s ARG 161 N 0.42 0.42 -0.50 2.79 0.52 -0.20 -2.27 118.95 120.14 2f1d s ARG 161 Ca 0.03 0.14 -0.23 0.00 -0.52 0.00 0.00 55.73 55.16 2f1d s ARG 161 Cb -0.12 -0.95 0.04 0.00 0.52 0.00 0.00 34.95 34.43 2f1d s ARG 161 CO 0.00 -0.34 0.81 -1.14 0.02 0.00 0.00 175.30 174.65 2f1d s GLN 162 N 2.02 3.32 0.23 3.54 0.74 -1.15 -0.61 119.66 127.75 2f1d s GLN 162 Ca 0.05 -0.31 0.21 0.00 0.05 0.00 0.00 55.36 55.35 2f1d s GLN 162 Cb -0.13 -4.01 0.04 0.00 1.10 0.00 0.00 33.01 30.02 2f1d s GLN 162 CO -0.05 -1.26 1.13 -0.07 -0.55 0.00 0.00 175.29 174.48 2f1d h LEU 163 N 10.34 0.00 -7.00 3.68 3.38 -1.49 -3.48 115.31 120.73 2f1d h LEU 163 Ca -0.26 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.76 2f1d h LEU 163 Cb 1.08 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.64 2f1d h LEU 163 CO 1.00 0.12 0.42 0.00 0.09 0.00 0.00 178.44 180.07 2f1d s ALA 164 N -3.25 -1.85 0.00 1.53 0.00 -1.16 -4.93 121.76 112.10 2f1d s ALA 164 Ca 0.01 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.30 2f1d s ALA 164 Cb 0.09 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.00 2f1d s ALA 164 CO 0.77 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 176.51 2f1d n GLY 165 N 0.52 2.97 1.15 0.00 0.00 -1.25 -1.84 105.19 106.74 2f1d n GLY 165 Ca -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.38 0.00 -2.37 1.61 1.02 -1.26 -4.98 120.64 114.28 2f1d n GLU 166 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 2f1d n GLU 166 Cb 0.00 -0.38 -0.03 0.00 -0.02 0.00 0.00 31.44 31.01 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 -5.75 7.01 0.11 1.62 3.84 -1.26 -4.73 114.94 115.78 2f1d s ASN 167 Ca 0.00 2.01 -0.15 0.00 0.21 0.00 0.00 52.86 54.92 2f1d s ASN 167 Cb 0.00 -2.57 -0.04 0.00 -0.55 0.00 0.00 41.25 38.09 2f1d s ASN 167 CO 0.00 -0.56 1.53 0.28 -2.79 0.00 0.00 177.10 175.56 2f1d h SER 168 N 7.17 0.65 -0.76 -4.21 0.02 -1.97 -2.20 113.55 112.25 2f1d h SER 168 Ca -0.39 -0.34 0.09 0.00 -0.84 0.00 0.00 61.79 60.31 2f1d h SER 168 Cb 1.19 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 63.50 2f1d h SER 168 CO 0.85 0.84 0.50 -0.74 -1.14 0.00 0.00 176.83 177.14 2f1d h HIS 169 N 0.45 0.73 -0.25 3.45 -0.00 -1.97 -2.33 115.15 115.23 2f1d h HIS 169 Ca 0.09 0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 60.40 2f1d h HIS 169 Cb 0.54 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.70 2f1d h HIS 169 CO 0.05 0.35 -0.17 0.45 -0.00 0.00 0.00 177.93 178.60 2f1d h HIS 170 N 0.69 0.66 -0.71 5.26 3.86 -1.83 -2.70 115.15 120.38 2f1d h HIS 170 Ca 0.35 -0.18 -0.07 0.00 -1.16 0.00 0.00 60.37 59.31 2f1d h HIS 170 Cb 0.45 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.74 2f1d h HIS 170 CO -0.00 0.85 0.17 0.82 0.86 0.00 0.00 177.93 180.63 2f1d h ILE 171 N 0.28 1.26 -0.02 2.45 2.04 -0.88 -0.26 117.51 122.39 2f1d h ILE 171 Ca 0.05 -0.98 -0.13 0.00 1.00 0.00 0.00 64.86 64.80 2f1d h ILE 171 Cb 0.71 0.53 0.01 0.00 -0.74 0.00 0.00 36.82 37.33 2f1d h ILE 171 CO 0.05 0.38 -0.51 0.40 0.00 0.00 0.00 178.15 178.47 2f1d h ILE 172 N 1.08 1.44 -0.44 -0.67 2.04 -1.55 -2.08 117.51 117.32 2f1d h ILE 172 Ca 0.22 -2.00 -0.05 0.00 1.00 0.00 0.00 64.86 64.04 2f1d h ILE 172 Cb 0.38 2.56 -0.02 0.00 -0.74 0.00 0.00 36.82 38.99 2f1d h ILE 172 CO 0.00 0.58 0.08 -0.08 0.00 0.00 0.00 178.15 178.73 2f1d h GLU 173 N -0.15 0.67 -0.05 2.37 4.81 -1.36 -1.50 114.58 119.36 2f1d h GLU 173 Ca -0.06 -0.13 -0.16 0.00 -0.13 0.00 0.00 59.36 58.88 2f1d h GLU 173 Cb 1.21 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 2f1d h GLU 173 CO 0.10 0.63 -0.67 0.00 -0.73 0.00 0.00 179.01 178.34 2f1d h ALA 174 N 1.44 0.76 -0.34 2.92 0.00 -1.07 -2.34 119.26 120.63 2f1d h ALA 174 Ca 0.14 -0.59 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 2f1d h ALA 174 Cb 0.29 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2f1d h ALA 174 CO 0.00 0.77 0.07 1.15 0.00 0.00 0.00 179.25 181.25 2f1d h THR 175 N 0.17 1.23 0.00 0.00 2.02 -0.61 -1.73 112.91 113.98 2f1d h THR 175 Ca -0.02 -0.78 -0.04 0.00 0.77 0.00 0.00 66.41 66.35 2f1d h THR 175 Cb 1.21 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 68.69 2f1d h THR 175 CO 0.10 0.26 -0.19 -0.26 0.37 0.00 0.00 175.52 175.81 2f1d h PHE 176 N 0.40 0.00 -0.03 3.16 -1.00 -1.30 -2.14 116.94 116.04 2f1d h PHE 176 Ca 0.11 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.79 2f1d h PHE 176 Cb 0.32 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.88 2f1d h PHE 176 CO 0.02 0.19 -0.34 0.87 -1.61 0.00 0.00 178.31 177.43 2f1d h LYS 177 N 0.00 0.28 -0.17 1.51 1.57 -1.08 -2.83 116.57 115.86 2f1d h LYS 177 Ca -0.00 -0.27 -0.16 0.00 -1.87 0.00 0.00 60.65 58.35 2f1d h LYS 177 Cb 0.62 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 2f1d h LYS 177 CO 0.02 0.94 -0.58 0.00 -0.57 0.00 0.00 179.45 179.27 2f1d h ALA 178 N 0.34 0.68 -0.38 3.86 0.00 -1.32 -3.11 119.26 119.34 2f1d h ALA 178 Ca -0.03 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 2f1d h ALA 178 Cb 1.04 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2f1d h ALA 178 CO 0.07 0.70 0.18 0.35 0.00 0.00 0.00 179.25 180.55 2f1d h PHE 179 N 0.40 0.55 -0.38 0.00 3.57 -1.45 -1.89 116.94 117.75 2f1d h PHE 179 Ca 0.00 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.43 2f1d h PHE 179 Cb 1.13 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 2f1d h PHE 179 CO 0.05 0.47 0.08 0.00 -2.23 0.00 0.00 178.31 176.68 2f1d h ALA 180 N 1.03 0.51 0.00 2.41 0.00 -1.56 0.18 119.26 121.83 2f1d h ALA 180 Ca 0.13 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2f1d h ALA 180 Cb 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2f1d h ALA 180 CO -0.02 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.43 2f1d h ARG 181 N 0.48 0.00 0.08 0.00 3.08 -1.54 -0.28 114.38 116.20 2f1d h ARG 181 Ca 0.12 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.89 2f1d h ARG 181 Cb 0.33 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 2f1d h ARG 181 CO 0.00 0.00 -1.43 0.00 -1.07 0.00 0.00 179.97 177.47 2f1d h ALA 182 N 2.05 0.34 -0.12 0.04 0.00 -1.06 -3.01 119.26 117.50 2f1d h ALA 182 Ca 0.00 -1.10 -0.03 0.00 0.00 0.00 0.00 54.91 53.78 2f1d h ALA 182 Cb 0.72 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 2f1d h ALA 182 CO 0.00 1.21 -0.04 -0.07 0.00 0.00 0.00 179.25 180.34 2f1d h LEU 183 N 0.05 0.24 0.01 0.00 3.38 -0.42 -2.41 115.31 116.16 2f1d h LEU 183 Ca -0.20 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.40 2f1d h LEU 183 Cb 1.97 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.61 2f1d h LEU 183 CO 0.15 0.57 -0.34 -0.09 0.09 0.00 0.00 178.44 178.82 2f1d h ARG 184 N -0.09 -0.43 -0.95 1.13 2.43 -1.17 0.60 114.38 115.91 2f1d h ARG 184 Ca 0.03 0.03 0.22 0.00 -0.81 0.00 0.00 59.98 59.45 2f1d h ARG 184 Cb 0.47 0.10 -0.18 0.00 -0.42 0.00 0.00 29.97 29.94 2f1d h ARG 184 CO 0.01 -0.28 -0.11 0.94 -1.51 0.00 0.00 179.97 179.02 2f1d n GLN 185 N -4.39 -0.08 0.17 0.20 7.27 -1.13 -0.44 117.38 118.97 2f1d n GLN 185 Ca -0.05 1.45 0.03 0.00 0.07 0.00 0.00 57.00 58.50 2f1d n GLN 185 Cb 0.26 -2.23 0.28 0.00 2.41 0.00 0.00 30.24 30.96 2f1d n GLN 185 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2f1d h ALA 186 N 1.89 1.00 0.00 1.69 0.00 -0.56 -3.08 119.26 120.20 2f1d h ALA 186 Ca 0.51 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2f1d h ALA 186 Cb 0.94 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2f1d h ALA 186 CO -0.93 0.57 -1.02 0.25 0.00 0.00 0.00 179.25 178.11 2f1d n THR 187 N -3.63 0.00 -1.04 0.00 -2.24 0.03 -0.86 114.28 106.53 2f1d n THR 187 Ca -0.01 -0.02 -0.29 0.00 -2.27 0.00 0.00 64.05 61.47 2f1d n THR 187 Cb 0.54 0.94 0.20 0.00 -2.10 0.00 0.00 70.33 69.91 2f1d n THR 187 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2f1d s GLU 188 N -3.02 -0.07 0.19 -0.78 2.02 0.41 -4.81 118.70 112.64 2f1d s GLU 188 Ca 0.07 0.49 0.04 0.00 0.02 0.00 0.00 54.97 55.59 2f1d s GLU 188 Cb 0.16 -1.68 -0.03 0.00 0.10 0.00 0.00 34.13 32.68 2f1d s GLU 188 CO 0.87 -3.06 0.31 0.95 0.02 0.00 0.00 175.26 174.34 2f1d s THR 189 N -2.88 5.26 -0.24 3.63 -4.23 -1.26 -2.42 115.64 113.50 2f1d s THR 189 Ca 0.66 -0.83 0.01 0.00 -1.18 0.00 0.00 61.69 60.35 2f1d s THR 189 Cb -0.19 -3.77 0.06 0.00 1.34 0.00 0.00 72.50 69.94 2f1d s THR 189 CO 0.59 -0.19 -0.06 -0.62 -0.54 0.00 0.00 174.62 173.79 2f1d s ASP 190 N -3.54 3.99 -0.87 3.99 2.15 -0.07 -4.76 116.67 117.55 2f1d s ASP 190 Ca 0.34 -1.24 -0.25 0.00 0.43 0.00 0.00 52.55 51.84 2f1d s ASP 190 Cb -0.10 -1.26 -0.18 0.00 -0.30 0.00 0.00 42.92 41.08 2f1d s ASP 190 CO 0.28 -0.23 2.28 -2.65 -0.17 0.00 0.00 175.17 174.69 2f1d n PRO 191 N 4.62 0.38 0.00 4.34 -0.02 -1.26 -4.84 135.00 138.22 2f1d n PRO 191 Ca -0.12 -1.06 0.13 0.00 -2.02 0.00 0.00 63.50 60.43 2f1d n PRO 191 Cb 0.44 -3.59 0.27 0.00 -0.02 0.00 0.00 33.50 30.60 2f1d n PRO 191 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02