#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 3.05 -0.10 1.61 0.52 -1.26 -5.03 118.95 117.73 2f1d s ARG 11 Ca 0.00 -1.12 0.04 0.00 -0.52 0.00 0.00 55.73 54.12 2f1d s ARG 11 Cb 0.00 -4.11 0.00 0.00 0.52 0.00 0.00 34.95 31.36 2f1d s ARG 11 CO 0.00 -1.11 -0.23 0.42 0.02 0.00 0.00 175.30 174.41 2f1d s ILE 12 N 2.11 1.97 0.04 1.52 1.01 -1.26 -1.38 121.20 125.20 2f1d s ILE 12 Ca 0.09 -0.96 0.04 0.00 0.00 0.00 0.00 60.65 59.82 2f1d s ILE 12 Cb -0.22 -1.71 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 2f1d s ILE 12 CO 0.09 0.54 -0.05 -0.83 0.00 0.00 0.00 174.94 174.69 2f1d s GLY 13 N 0.44 1.81 0.03 6.18 0.00 -1.06 -4.49 107.32 110.22 2f1d s GLY 13 Ca -0.17 -1.08 0.05 0.00 0.00 0.00 0.00 44.72 43.52 2f1d s GLY 13 CO 0.07 -0.99 -0.15 -0.54 0.00 0.00 0.00 173.10 171.49 2f1d s GLU 14 N -1.78 1.05 -0.18 2.90 2.02 -1.26 -1.58 118.70 119.87 2f1d s GLU 14 Ca 0.20 -0.72 -0.07 0.00 0.02 0.00 0.00 54.97 54.40 2f1d s GLU 14 Cb -0.11 -1.06 0.07 0.00 0.10 0.00 0.00 34.13 33.13 2f1d s GLU 14 CO 0.11 0.27 0.39 0.08 0.02 0.00 0.00 175.26 176.13 2f1d s VAL 15 N -0.71 -0.36 -0.16 2.63 1.01 -0.26 -4.81 120.40 117.74 2f1d s VAL 15 Ca 0.03 0.15 -0.05 0.00 0.00 0.00 0.00 61.98 62.12 2f1d s VAL 15 Cb -0.07 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 2f1d s VAL 15 CO 0.01 0.06 0.00 -1.59 0.00 0.00 0.00 175.10 173.58 2f1d s LYS 16 N 2.08 3.76 -0.07 2.72 -2.85 -1.26 -0.94 119.74 123.18 2f1d s LYS 16 Ca -0.05 -0.45 0.02 0.00 -1.00 0.00 0.00 55.97 54.50 2f1d s LYS 16 Cb -0.11 -3.02 0.01 0.00 -2.06 0.00 0.00 37.83 32.66 2f1d s LYS 16 CO -0.12 0.28 -0.13 0.50 0.10 0.00 0.00 175.35 175.98 2f1d s ARG 17 N 0.30 1.76 -0.10 1.78 3.52 -0.35 -5.01 118.95 120.85 2f1d s ARG 17 Ca -0.01 -0.43 0.01 0.00 -0.13 0.00 0.00 55.73 55.17 2f1d s ARG 17 Cb -0.13 -1.45 0.02 0.00 -1.56 0.00 0.00 34.95 31.83 2f1d s ARG 17 CO 0.02 0.03 -0.13 0.08 -0.81 0.00 0.00 175.30 174.49 2f1d s VAL 18 N 0.66 1.31 0.39 7.11 1.01 -1.26 -1.90 120.40 127.72 2f1d s VAL 18 Ca -0.15 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.34 2f1d s VAL 18 Cb -0.16 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 2f1d s VAL 18 CO 0.04 0.40 0.13 0.42 0.00 0.00 0.00 175.10 176.09 2f1d s THR 19 N 1.05 0.61 0.40 3.92 -4.23 -1.08 -5.01 115.64 111.30 2f1d s THR 19 Ca -0.06 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.56 2f1d s THR 19 Cb -0.15 -2.42 0.33 0.00 1.34 0.00 0.00 72.50 71.60 2f1d s THR 19 CO -0.02 0.00 1.94 0.07 -0.54 0.00 0.00 174.62 176.08 2f1d h LYS 20 N 1.88 0.52 0.17 3.99 -0.00 -2.03 -3.18 116.57 117.92 2f1d h LYS 20 Ca -0.35 -0.03 -0.30 0.00 -0.00 0.00 0.00 60.65 59.97 2f1d h LYS 20 Cb 1.27 -0.12 0.01 0.00 -0.00 0.00 0.00 32.23 33.39 2f1d h LYS 20 CO 0.57 0.35 -1.43 0.93 -0.00 0.00 0.00 179.45 179.87 2f1d h GLU 21 N 0.54 0.35 -4.87 0.07 3.07 -1.97 -3.49 114.58 108.28 2f1d h GLU 21 Ca 0.34 -0.61 -0.44 0.00 -0.50 0.00 0.00 59.36 58.15 2f1d h GLU 21 Cb 0.58 0.23 -0.13 0.00 -0.84 0.00 0.00 28.75 28.58 2f1d h GLU 21 CO -0.11 1.29 -0.51 0.95 -1.40 0.00 0.00 179.01 179.23 2f1d s THR 22 N -2.52 0.00 -0.23 1.13 -4.23 -1.20 -2.80 115.64 105.79 2f1d s THR 22 Ca -0.16 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.32 2f1d s THR 22 Cb 0.04 -2.50 0.12 0.00 1.34 0.00 0.00 72.50 71.50 2f1d s THR 22 CO 0.84 0.00 0.33 0.21 -0.54 0.00 0.00 174.62 175.46 2f1d s ASN 23 N -3.35 0.55 0.02 3.99 3.84 -0.39 -2.64 114.94 116.95 2f1d s ASN 23 Ca 0.41 0.14 0.07 0.00 0.21 0.00 0.00 52.86 53.68 2f1d s ASN 23 Cb 0.03 0.91 -0.02 0.00 -0.55 0.00 0.00 41.25 41.62 2f1d s ASN 23 CO 0.26 -0.30 -0.21 -0.69 -2.79 0.00 0.00 177.10 173.37 2f1d s VAL 24 N 2.48 1.64 -0.05 -5.21 1.01 -0.80 -2.20 120.40 117.28 2f1d s VAL 24 Ca 0.10 -1.05 -0.03 0.00 0.00 0.00 0.00 61.98 61.01 2f1d s VAL 24 Cb -0.15 -1.40 0.02 0.00 0.00 0.00 0.00 36.38 34.85 2f1d s VAL 24 CO -0.14 0.32 0.11 -0.55 0.00 0.00 0.00 175.10 174.83 2f1d s SER 25 N -0.86 -0.09 -0.13 3.32 0.15 -0.70 -1.22 113.70 114.18 2f1d s SER 25 Ca 0.08 0.22 -0.05 0.00 0.70 0.00 0.00 55.95 56.89 2f1d s SER 25 Cb -0.08 0.16 0.06 0.00 -1.71 0.00 0.00 66.02 64.45 2f1d s SER 25 CO 0.01 -0.09 0.28 -0.69 1.20 0.00 0.00 173.24 173.95 2f1d s VAL 26 N 0.58 -0.28 -0.15 4.45 1.01 -0.11 -1.97 120.40 123.93 2f1d s VAL 26 Ca -0.04 0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.16 2f1d s VAL 26 Cb -0.06 -0.45 0.02 0.00 0.00 0.00 0.00 36.38 35.89 2f1d s VAL 26 CO -0.02 0.09 -0.16 -1.59 0.00 0.00 0.00 175.10 173.42 2f1d s LYS 27 N 1.97 2.44 -0.20 2.72 -2.85 -0.55 -1.10 119.74 122.17 2f1d s LYS 27 Ca -0.03 -0.62 0.01 0.00 -1.00 0.00 0.00 55.97 54.33 2f1d s LYS 27 Cb -0.11 -2.17 0.04 0.00 -2.06 0.00 0.00 37.83 33.53 2f1d s LYS 27 CO -0.09 -0.20 -0.10 0.42 0.10 0.00 0.00 175.35 175.48 2f1d s ILE 28 N 1.36 1.61 -0.28 3.79 1.01 -0.62 -1.34 121.20 126.73 2f1d s ILE 28 Ca 0.03 -1.01 -0.26 0.00 0.00 0.00 0.00 60.65 59.41 2f1d s ILE 28 Cb -0.13 -1.70 0.00 0.00 0.01 0.00 0.00 42.46 40.64 2f1d s ILE 28 CO -0.09 0.15 0.90 0.21 0.00 0.00 0.00 174.94 176.10 2f1d s ASN 29 N 1.41 6.84 0.36 3.58 3.84 -0.92 -2.55 114.94 127.49 2f1d s ASN 29 Ca -0.01 0.97 0.16 0.00 0.21 0.00 0.00 52.86 54.18 2f1d s ASN 29 Cb -0.16 -2.47 0.67 0.00 -0.55 0.00 0.00 41.25 38.74 2f1d s ASN 29 CO -0.08 -0.65 1.75 -0.07 -2.79 0.00 0.00 177.10 175.26 2f1d h LEU 30 N 9.51 0.00 -5.35 3.21 3.38 -1.54 -2.47 115.31 122.05 2f1d h LEU 30 Ca -0.22 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 57.04 2f1d h LEU 30 Cb 1.08 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 41.50 2f1d h LEU 30 CO 0.93 0.42 0.31 0.47 0.09 0.00 0.00 178.44 180.66 2f1d n ASP 31 N -3.74 6.23 -1.13 -0.43 8.00 -1.26 -4.72 116.55 119.50 2f1d n ASP 31 Ca -0.01 -3.74 0.00 0.00 0.71 0.00 0.00 54.79 51.75 2f1d n ASP 31 Cb 0.49 -0.86 0.00 0.00 -0.02 0.00 0.00 41.12 40.73 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 -0.32 1.03 0.00 0.44 0.00 -1.07 -4.68 105.19 100.58 2f1d n GLY 32 Ca 0.44 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.20 0.00 0.00 2.61 -2.24 -1.25 -4.66 114.28 108.53 2f1d n THR 33 Ca 0.00 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 2f1d n THR 33 Cb 0.00 1.49 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 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 0.03 1.95 3.66 3.38 0.00 -0.99 -4.87 105.19 108.35 2f1d n GLY 34 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.00 4.72 -0.29 1.61 1.01 -1.18 -4.46 120.40 119.81 2f1d s VAL 35 Ca 0.00 1.97 -0.06 0.00 0.00 0.00 0.00 61.98 63.88 2f1d s VAL 35 Cb 0.00 -4.28 0.01 0.00 0.00 0.00 0.00 36.38 32.10 2f1d s VAL 35 CO 0.00 -0.13 0.07 0.00 0.00 0.00 0.00 175.10 175.04 2f1d s ALA 36 N 2.93 3.05 -0.41 5.51 0.00 -1.26 -1.22 121.76 130.35 2f1d s ALA 36 Ca 0.44 -1.44 0.07 0.00 0.00 0.00 0.00 51.96 51.02 2f1d s ALA 36 Cb -0.16 -2.12 0.23 0.00 0.00 0.00 0.00 23.12 21.08 2f1d s ALA 36 CO 0.08 -0.90 0.54 -3.47 0.00 0.00 0.00 175.76 172.01 2f1d n ASP 37 N 4.86 -0.43 -4.28 0.00 4.64 -0.51 -5.02 116.55 115.81 2f1d n ASP 37 Ca -0.15 -2.72 -0.32 0.00 -1.38 0.00 0.00 54.79 50.23 2f1d n ASP 37 Cb 0.48 -0.25 -0.16 0.00 -1.04 0.00 0.00 41.12 40.15 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 -0.97 3.29 -0.41 1.67 0.01 -1.26 -1.76 113.70 114.27 2f1d s SER 38 Ca 0.34 -0.47 0.02 0.00 1.31 0.00 0.00 55.95 57.15 2f1d s SER 38 Cb 0.15 -1.14 0.15 0.00 0.21 0.00 0.00 66.02 65.39 2f1d s SER 38 CO -0.14 0.21 0.27 -0.55 0.41 0.00 0.00 173.24 173.44 2f1d s SER 39 N 0.03 2.81 0.07 2.44 0.15 -1.03 -4.91 113.70 113.26 2f1d s SER 39 Ca -0.08 -2.64 0.23 0.00 0.70 0.00 0.00 55.95 54.15 2f1d s SER 39 Cb -0.15 -0.64 0.03 0.00 -1.71 0.00 0.00 66.02 63.55 2f1d s SER 39 CO 0.05 -0.25 1.00 -1.54 1.20 0.00 0.00 173.24 173.71 2f1d n SER 40 N 3.46 0.60 0.00 5.45 3.41 -1.26 -2.66 113.62 122.62 2f1d n SER 40 Ca 0.17 -0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 2f1d n SER 40 Cb 0.39 0.79 0.00 0.00 -0.26 0.00 0.00 64.21 65.14 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 1.32 0.75 2.72 5.00 0.00 -1.26 -4.50 105.19 109.23 2f1d n GLY 41 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.39 1.20 0.35 -0.61 1.01 -1.26 -5.02 121.20 114.47 2f1d s ILE 42 Ca 0.00 -2.10 0.09 0.00 0.00 0.00 0.00 60.65 58.64 2f1d s ILE 42 Cb 0.00 -1.86 0.32 0.00 0.01 0.00 0.00 42.46 40.93 2f1d s ILE 42 CO 0.00 -0.81 1.86 -0.65 0.00 0.00 0.00 174.94 175.34 2f1d h PRO 43 N 7.26 0.67 -0.33 2.79 0.11 -2.00 -2.03 132.00 138.47 2f1d h PRO 43 Ca -0.05 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 65.86 2f1d h PRO 43 Cb 0.96 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.92 2f1d h PRO 43 CO 0.47 0.44 -0.40 0.35 -0.21 0.00 0.00 178.00 178.65 2f1d h PHE 44 N 0.69 0.97 0.00 0.65 3.57 -1.96 -2.46 116.94 118.40 2f1d h PHE 44 Ca 0.47 -0.29 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 2f1d h PHE 44 Cb 0.77 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 2f1d h PHE 44 CO -0.00 1.08 -0.21 1.25 -2.23 0.00 0.00 178.31 178.20 2f1d h LEU 45 N 0.66 0.00 -0.06 0.59 5.85 -1.81 -2.00 115.31 118.53 2f1d h LEU 45 Ca 0.05 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 2f1d h LEU 45 Cb 0.97 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.00 2f1d h LEU 45 CO 0.09 0.21 -0.03 0.44 -0.34 0.00 0.00 178.44 178.81 2f1d h ASP 46 N 0.00 0.13 -0.90 1.25 3.32 -1.21 -1.16 116.42 117.84 2f1d h ASP 46 Ca -0.00 -0.41 0.14 0.00 0.02 0.00 0.00 57.03 56.78 2f1d h ASP 46 Cb 0.64 -0.04 -0.09 0.00 0.22 0.00 0.00 39.33 40.06 2f1d h ASP 46 CO 0.03 0.51 0.52 -0.74 -1.72 0.00 0.00 179.24 177.83 2f1d h HIS 47 N -0.25 0.92 -0.10 4.55 2.76 -1.20 0.13 115.15 121.96 2f1d h HIS 47 Ca 0.01 0.03 -0.18 0.00 -2.20 0.00 0.00 60.37 58.04 2f1d h HIS 47 Cb 0.46 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.14 2f1d h HIS 47 CO 0.07 0.28 -0.69 0.52 -1.30 0.00 0.00 177.93 176.81 2f1d h MET 48 N 0.76 0.42 -0.07 5.26 2.86 -1.24 -2.49 114.93 120.43 2f1d h MET 48 Ca 0.48 -0.32 -0.13 0.00 -2.06 0.00 0.00 59.70 57.66 2f1d h MET 48 Cb 0.61 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 2f1d h MET 48 CO -0.32 0.95 -0.55 -0.07 1.06 0.00 0.00 176.91 177.98 2f1d h LEU 49 N 0.30 0.24 -1.46 1.22 3.38 -0.57 -2.06 115.31 116.36 2f1d h LEU 49 Ca -0.02 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 2f1d h LEU 49 Cb 1.25 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 2f1d h LEU 49 CO 0.12 0.74 -0.27 0.44 0.09 0.00 0.00 178.44 179.56 2f1d h ASP 50 N 0.17 0.00 0.06 -0.43 3.32 -0.45 -2.56 116.42 116.54 2f1d h ASP 50 Ca 0.00 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.77 2f1d h ASP 50 Cb 1.02 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.59 2f1d h ASP 50 CO 0.08 0.27 -1.12 1.56 -1.72 0.00 0.00 179.24 178.31 2f1d h GLN 51 N 0.00 0.67 -0.94 3.56 1.08 -1.15 -2.54 115.11 115.79 2f1d h GLN 51 Ca -0.00 -0.78 0.05 0.00 -1.45 0.00 0.00 58.65 56.47 2f1d h GLN 51 Cb 0.54 0.23 -0.06 0.00 -0.05 0.00 0.00 27.48 28.14 2f1d h GLN 51 CO 0.03 1.34 0.61 1.25 -0.95 0.00 0.00 178.83 181.11 2f1d h LEU 52 N 0.35 0.99 -0.03 1.46 5.85 -1.10 -1.92 115.31 120.91 2f1d h LEU 52 Ca -0.15 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.43 2f1d h LEU 52 Cb 1.78 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 42.61 2f1d h LEU 52 CO 0.22 0.65 -0.55 0.00 -0.34 0.00 0.00 178.44 178.42 2f1d h ALA 53 N 1.41 0.10 0.00 1.25 0.00 -1.51 -2.42 119.26 118.09 2f1d h ALA 53 Ca 0.39 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2f1d h ALA 53 Cb 0.09 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2f1d h ALA 53 CO -0.15 0.34 0.00 0.66 0.00 0.00 0.00 179.25 180.10 2f1d h SER 54 N -0.07 0.00 0.00 0.00 4.64 -1.39 -1.30 113.55 115.43 2f1d h SER 54 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2f1d h SER 54 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2f1d h SER 54 CO 0.11 0.00 -1.22 1.41 -0.87 0.00 0.00 176.83 176.26 2f1d n HIS 55 N -2.88 0.00 -0.08 4.77 -0.00 -0.73 -4.33 115.22 111.97 2f1d n HIS 55 Ca 0.02 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.76 2f1d n HIS 55 Cb 0.36 -0.17 0.06 0.00 -0.00 0.00 0.00 29.99 30.24 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 1.45 2.95 4.17 -1.41 0.00 -0.91 -4.01 105.19 107.43 2f1d n GLY 56 Ca 0.00 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.16 -0.53 -4.93 0.99 4.77 -0.53 -4.76 117.00 111.85 2f1d n LEU 57 Ca 0.04 -1.25 -0.21 0.00 -0.03 0.00 0.00 56.01 54.57 2f1d n LEU 57 Cb 0.32 -1.52 -0.02 0.00 -2.33 0.00 0.00 43.42 39.87 2f1d n LEU 57 CO 0.03 0.62 -0.05 -0.36 -1.33 0.00 0.00 177.39 176.30 2f1d s PHE 58 N -3.98 3.22 -0.17 -1.77 2.99 -0.97 -2.61 117.98 114.69 2f1d s PHE 58 Ca 0.23 -0.12 -0.09 0.00 0.00 0.00 0.00 56.93 56.94 2f1d s PHE 58 Cb -0.13 -1.66 -0.05 0.00 0.00 0.00 0.00 43.02 41.18 2f1d s PHE 58 CO 0.95 0.32 0.14 -0.51 -0.00 0.00 0.00 175.22 176.12 2f1d s ASP 59 N -4.00 6.28 -0.08 1.36 1.01 -0.93 -2.34 116.67 117.96 2f1d s ASP 59 Ca 0.37 0.32 -0.00 0.00 0.71 0.00 0.00 52.55 53.95 2f1d s ASP 59 Cb -0.08 -2.09 0.02 0.00 1.01 0.00 0.00 42.92 41.78 2f1d s ASP 59 CO 0.28 0.25 -0.05 -0.69 0.21 0.00 0.00 175.17 175.17 2f1d s VAL 60 N -0.08 0.76 -0.17 -1.27 1.01 -0.36 -2.16 120.40 118.13 2f1d s VAL 60 Ca 0.11 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 61.94 2f1d s VAL 60 Cb -0.11 -0.81 0.03 0.00 0.00 0.00 0.00 36.38 35.48 2f1d s VAL 60 CO 0.00 0.31 -0.15 -2.28 0.00 0.00 0.00 175.10 172.98 2f1d s HIS 61 N 1.56 2.44 0.09 5.22 2.46 -0.45 -1.42 115.29 125.19 2f1d s HIS 61 Ca 0.00 -1.46 0.06 0.00 0.47 0.00 0.00 55.06 54.14 2f1d s HIS 61 Cb -0.13 -1.71 -0.03 0.00 -0.13 0.00 0.00 32.58 30.58 2f1d s HIS 61 CO -0.05 -0.73 -0.17 0.08 -2.47 0.00 0.00 174.74 171.40 2f1d s VAL 62 N 1.40 1.38 -0.30 0.89 1.01 -0.72 -1.48 120.40 122.58 2f1d s VAL 62 Ca 0.03 -1.49 -0.11 0.00 0.00 0.00 0.00 61.98 60.42 2f1d s VAL 62 Cb -0.14 -1.35 0.13 0.00 0.00 0.00 0.00 36.38 35.02 2f1d s VAL 62 CO -0.11 -0.21 0.66 -0.60 0.00 0.00 0.00 175.10 174.84 2f1d s ARG 63 N -2.01 0.59 -0.11 2.72 6.06 -0.83 -2.48 118.95 122.89 2f1d s ARG 63 Ca 0.04 1.43 -0.12 0.00 -2.50 0.00 0.00 55.73 54.58 2f1d s ARG 63 Cb -0.09 0.81 0.03 0.00 0.06 0.00 0.00 34.95 35.77 2f1d s ARG 63 CO 0.03 -0.19 0.32 0.00 -2.50 0.00 0.00 175.30 172.96 2f1d s ALA 64 N 2.79 -0.80 -0.09 6.12 0.00 -1.09 -1.73 121.76 126.97 2f1d s ALA 64 Ca -0.06 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.76 2f1d s ALA 64 Cb -0.11 -0.47 0.02 0.00 0.00 0.00 0.00 23.12 22.56 2f1d s ALA 64 CO -0.19 -0.17 -0.08 0.99 0.00 0.00 0.00 175.76 176.31 2f1d s THR 65 N 0.01 0.97 0.00 0.00 2.01 -0.93 -4.20 115.64 113.49 2f1d s THR 65 Ca -0.01 -0.30 0.00 0.00 0.31 0.00 0.00 61.69 61.68 2f1d s THR 65 Cb -0.03 -0.96 0.00 0.00 0.01 0.00 0.00 72.50 71.52 2f1d s THR 65 CO 0.01 0.34 0.00 0.61 -0.69 0.00 0.00 174.62 174.89 2f1d n GLY 66 N 4.51 4.44 0.99 4.40 0.00 -1.26 -1.26 105.19 117.01 2f1d n GLY 66 Ca -0.17 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.48 0.80 -0.25 1.61 8.00 -1.12 -4.64 116.55 120.48 2f1d n ASP 67 Ca 0.00 -0.54 0.09 0.00 0.71 0.00 0.00 54.79 55.04 2f1d n ASP 67 Cb 0.00 -0.14 0.18 0.00 -0.02 0.00 0.00 41.12 41.14 2f1d n ASP 67 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2f1d n VAL 68 N 0.85 -0.30 0.09 2.53 0.31 -1.24 -0.48 118.33 120.10 2f1d n VAL 68 Ca 0.00 1.57 0.09 0.00 -0.01 0.00 0.00 64.34 65.99 2f1d n VAL 68 Cb 0.13 -2.26 0.55 0.00 -0.91 0.00 0.00 33.84 31.35 2f1d n VAL 68 CO 0.00 0.00 0.00 1.12 -1.32 0.00 0.00 176.83 176.63 2f1d h HIS 69 N 0.00 0.24 0.09 3.52 2.07 -2.01 -2.33 115.15 116.74 2f1d h HIS 69 Ca 0.40 0.01 -0.00 0.00 -2.85 0.00 0.00 60.37 57.93 2f1d h HIS 69 Cb 0.78 -0.08 0.00 0.00 2.57 0.00 0.00 27.41 30.69 2f1d h HIS 69 CO -0.41 0.14 -0.04 0.82 -3.07 0.00 0.00 177.93 175.36 2f1d h ILE 70 N 0.25 1.10 -1.67 6.12 2.04 -1.18 -3.50 117.51 120.67 2f1d h ILE 70 Ca 0.12 -1.35 0.26 0.00 1.00 0.00 0.00 64.86 64.89 2f1d h ILE 70 Cb 0.19 1.89 -0.14 0.00 -0.74 0.00 0.00 36.82 38.01 2f1d h ILE 70 CO -0.02 0.30 0.74 -0.62 0.00 0.00 0.00 178.15 178.54 2f1d s ASP 71 N -5.66 -0.14 0.00 1.72 -1.08 -0.88 -5.01 116.67 105.62 2f1d s ASP 71 Ca -0.14 -0.11 0.26 0.00 -0.52 0.00 0.00 52.55 52.04 2f1d s ASP 71 Cb 0.00 0.22 0.70 0.00 -1.46 0.00 0.00 42.92 42.38 2f1d s ASP 71 CO 0.54 -0.39 1.54 0.47 0.52 0.00 0.00 175.17 177.84 2f1d n ASP 72 N -0.32 0.57 0.02 -0.34 8.00 -1.26 -3.67 116.55 119.56 2f1d n ASP 72 Ca -0.05 -0.36 -0.11 0.00 0.71 0.00 0.00 54.79 54.99 2f1d n ASP 72 Cb 0.61 0.12 -0.04 0.00 -0.02 0.00 0.00 41.12 41.79 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 0.33 -0.84 0.00 1.24 2.76 -1.94 -0.33 115.15 116.37 2f1d h HIS 73 Ca 0.00 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2f1d h HIS 73 Cb 0.49 0.38 0.00 0.00 1.55 0.00 0.00 27.41 29.83 2f1d h HIS 73 CO 0.00 -0.39 -0.00 0.45 -1.30 0.00 0.00 177.93 176.69 2f1d h HIS 74 N -0.40 -0.00 0.12 5.26 3.86 -1.96 -2.13 115.15 119.90 2f1d h HIS 74 Ca 0.09 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.31 2f1d h HIS 74 Cb 0.53 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.98 2f1d h HIS 74 CO -0.38 0.17 -0.18 1.15 0.86 0.00 0.00 177.93 179.55 2f1d h THR 75 N -0.18 0.60 -0.78 2.45 2.02 -1.82 -1.34 112.91 113.86 2f1d h THR 75 Ca -0.00 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.36 2f1d h THR 75 Cb 0.18 0.60 -0.12 0.00 -1.74 0.00 0.00 68.15 67.07 2f1d h THR 75 CO 0.00 0.00 0.21 -1.13 0.37 0.00 0.00 175.52 174.97 2f1d h ASN 76 N -0.36 0.05 0.40 4.18 -0.73 -1.07 -1.60 115.58 116.46 2f1d h ASN 76 Ca 0.02 0.15 -0.18 0.00 1.87 0.00 0.00 56.30 58.16 2f1d h ASN 76 Cb 0.36 0.20 -0.01 0.00 0.27 0.00 0.00 38.32 39.14 2f1d h ASN 76 CO -0.08 -0.04 -0.77 -0.08 -0.37 0.00 0.00 177.43 176.08 2f1d h GLU 77 N 0.28 0.29 0.01 6.67 4.81 -0.86 -2.90 114.58 122.88 2f1d h GLU 77 Ca 0.45 -0.26 -0.19 0.00 -0.13 0.00 0.00 59.36 59.23 2f1d h GLU 77 Cb 0.80 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.22 2f1d h GLU 77 CO -0.53 0.93 -0.90 -0.44 -0.73 0.00 0.00 179.01 177.34 2f1d h ASP 78 N 0.19 0.05 -0.14 1.04 3.32 -0.72 -1.05 116.42 119.11 2f1d h ASP 78 Ca -0.03 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 56.90 2f1d h ASP 78 Cb 1.35 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.88 2f1d h ASP 78 CO 0.12 0.92 -0.18 0.40 -1.72 0.00 0.00 179.24 178.78 2f1d h ILE 79 N 0.02 1.36 -0.16 0.35 2.04 -1.30 -1.37 117.51 118.43 2f1d h ILE 79 Ca -0.02 -1.38 0.01 0.00 1.00 0.00 0.00 64.86 64.47 2f1d h ILE 79 Cb 1.57 1.94 -0.02 0.00 -0.74 0.00 0.00 36.82 39.57 2f1d h ILE 79 CO 0.12 0.41 0.06 0.00 0.00 0.00 0.00 178.15 178.73 2f1d h ALA 80 N 0.58 0.18 -0.97 1.87 0.00 -1.55 0.16 119.26 119.53 2f1d h ALA 80 Ca 0.02 0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.05 2f1d h ALA 80 Cb 0.73 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.45 2f1d h ALA 80 CO 0.04 -0.38 0.61 -0.07 0.00 0.00 0.00 179.25 179.45 2f1d h LEU 81 N 0.14 0.90 -0.36 0.00 3.38 -1.15 -2.03 115.31 116.19 2f1d h LEU 81 Ca 0.07 0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 2f1d h LEU 81 Cb 0.04 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2f1d h LEU 81 CO -0.07 0.50 -0.31 0.00 0.09 0.00 0.00 178.44 178.65 2f1d h ALA 82 N 1.51 0.52 0.21 1.53 0.00 -0.77 -2.95 119.26 119.31 2f1d h ALA 82 Ca 0.47 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2f1d h ALA 82 Cb 0.41 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2f1d h ALA 82 CO -0.25 0.56 -0.10 0.82 0.00 0.00 0.00 179.25 180.28 2f1d h ILE 83 N 0.63 0.86 -0.75 0.00 2.04 -0.32 -0.46 117.51 119.50 2f1d h ILE 83 Ca 0.06 -0.40 0.10 0.00 1.00 0.00 0.00 64.86 65.63 2f1d h ILE 83 Cb 0.89 1.09 -0.05 0.00 -0.74 0.00 0.00 36.82 38.01 2f1d h ILE 83 CO 0.08 0.09 0.49 1.23 0.00 0.00 0.00 178.15 180.04 2f1d h GLY 84 N -0.49 0.92 0.85 5.37 0.00 -1.49 0.30 103.07 108.53 2f1d h GLY 84 Ca -0.03 -0.26 -0.08 0.00 0.00 0.00 0.00 47.33 46.96 2f1d h GLY 84 CO 0.05 0.14 -0.16 -0.84 0.00 0.00 0.00 176.54 175.73 2f1d h THR 85 N 0.63 1.31 0.00 4.70 2.02 -1.28 -2.27 112.91 118.01 2f1d h THR 85 Ca 0.35 -1.28 -0.05 0.00 0.77 0.00 0.00 66.41 66.20 2f1d h THR 85 Cb 0.52 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 2f1d h THR 85 CO -0.13 0.39 -0.26 0.00 0.37 0.00 0.00 175.52 175.90 2f1d h ALA 86 N 0.69 1.21 -0.04 6.16 0.00 -0.64 -2.40 119.26 124.24 2f1d h ALA 86 Ca 0.04 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 2f1d h ALA 86 Cb 0.68 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2f1d h ALA 86 CO 0.04 0.32 -0.67 1.25 0.00 0.00 0.00 179.25 180.20 2f1d h LEU 87 N 0.00 0.20 -0.30 0.00 5.85 -0.30 -2.31 115.31 118.45 2f1d h LEU 87 Ca -0.00 -0.13 -0.20 0.00 0.84 0.00 0.00 57.88 58.39 2f1d h LEU 87 Cb 0.60 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.58 2f1d h LEU 87 CO 0.03 0.81 -0.70 0.25 -0.34 0.00 0.00 178.44 178.49 2f1d h LEU 88 N 0.12 0.78 -0.36 2.25 5.85 -0.93 -2.77 115.31 120.24 2f1d h LEU 88 Ca -0.01 -0.48 -0.18 0.00 0.84 0.00 0.00 57.88 58.04 2f1d h LEU 88 Cb 1.20 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 42.00 2f1d h LEU 88 CO 0.10 1.25 -0.62 0.11 -0.34 0.00 0.00 178.44 178.94 2f1d h LYS 89 N 0.47 0.68 -0.27 1.25 1.57 -1.45 -3.14 116.57 115.68 2f1d h LYS 89 Ca -0.03 -0.47 -0.07 0.00 -1.87 0.00 0.00 60.65 58.21 2f1d h LYS 89 Cb 1.30 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.67 2f1d h LYS 89 CO 0.14 1.09 -0.14 0.00 -0.57 0.00 0.00 179.45 179.97 2f1d h ALA 90 N 0.80 1.24 -0.54 3.86 0.00 -1.44 -3.13 119.26 120.05 2f1d h ALA 90 Ca -0.01 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 2f1d h ALA 90 Cb 1.21 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2f1d h ALA 90 CO 0.12 0.49 -0.10 -0.07 0.00 0.00 0.00 179.25 179.70 2f1d h LEU 91 N 0.43 1.01 0.00 0.00 3.38 -1.45 -3.42 115.31 115.27 2f1d h LEU 91 Ca 0.08 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2f1d h LEU 91 Cb 0.51 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2f1d h LEU 91 CO 0.03 1.12 0.00 0.61 0.09 0.00 0.00 178.44 180.29 2f1d n GLY 92 N -0.30 0.36 0.00 0.83 0.00 -1.18 -3.28 105.19 101.61 2f1d n GLY 92 Ca 0.02 -0.91 0.07 0.00 0.00 0.00 0.00 46.02 45.19 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 5.02 0.99 -3.09 1.61 -0.00 -1.26 -4.93 120.64 118.98 2f1d n GLU 93 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.16 57.03 2f1d n GLU 93 Cb 0.00 -1.22 0.07 0.00 -0.00 0.00 0.00 31.44 30.29 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 -0.72 -5.05 -3.22 3.44 1.74 -1.21 -4.98 116.66 106.67 2f1d n ARG 94 Ca 0.10 0.63 -0.39 0.00 -0.77 0.00 0.00 57.85 57.42 2f1d n ARG 94 Cb 0.05 -5.00 -0.06 0.00 -1.02 0.00 0.00 32.46 26.42 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 -5.13 4.29 -0.85 5.56 -0.14 -1.26 -4.35 119.74 117.86 2f1d s LYS 95 Ca 0.06 0.54 0.00 0.00 -1.36 0.00 0.00 55.97 55.20 2f1d s LYS 95 Cb -0.02 -3.50 0.00 0.00 -1.68 0.00 0.00 37.83 32.63 2f1d s LYS 95 CO 0.54 -0.01 0.00 0.41 -0.76 0.00 0.00 175.35 175.53 2f1d n GLY 96 N 3.50 0.84 3.85 -3.33 0.00 -1.26 -4.99 105.19 103.80 2f1d n GLY 96 Ca -0.04 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.85 4.52 0.30 -0.61 -4.36 -1.26 -0.74 121.20 117.20 2f1d s ILE 97 Ca 0.00 1.04 -0.02 0.00 -0.26 0.00 0.00 60.65 61.41 2f1d s ILE 97 Cb 0.00 -3.73 0.25 0.00 1.25 0.00 0.00 42.46 40.23 2f1d s ILE 97 CO 0.00 -0.85 1.96 0.78 0.24 0.00 0.00 174.94 177.07 2f1d h ASN 98 N 0.36 0.95 0.00 4.36 2.35 -1.40 -3.43 115.58 118.76 2f1d h ASN 98 Ca -0.46 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 2f1d h ASN 98 Cb 1.19 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 39.32 2f1d h ASN 98 CO 0.61 0.70 0.00 -1.14 -1.65 0.00 0.00 177.43 175.95 2f1d n ARG 99 N -4.40 0.00 -3.75 0.81 0.63 -0.89 -4.94 116.66 104.12 2f1d n ARG 99 Ca 0.09 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.66 2f1d n ARG 99 Cb 0.04 -0.01 -0.07 0.00 0.45 0.00 0.00 32.46 32.88 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 0.00 3.51 0.22 -0.14 0.40 -1.26 -1.58 117.98 119.13 2f1d s PHE 100 Ca 0.00 0.49 0.10 0.00 -0.60 0.00 0.00 56.93 56.92 2f1d s PHE 100 Cb 0.00 -2.10 -0.04 0.00 0.51 0.00 0.00 43.02 41.39 2f1d s PHE 100 CO 0.00 0.49 -0.12 0.20 0.70 0.00 0.00 175.22 176.49 2f1d s GLY 101 N -0.29 1.74 -0.30 4.36 0.00 -0.12 -3.88 107.32 108.83 2f1d s GLY 101 Ca 0.13 -1.61 -0.11 0.00 0.00 0.00 0.00 44.72 43.13 2f1d s GLY 101 CO 0.02 -1.66 0.78 -0.35 0.00 0.00 0.00 173.10 171.90 2f1d s ASP 102 N -3.11 -0.94 -0.28 1.64 2.15 -1.26 -2.20 116.67 112.66 2f1d s ASP 102 Ca 0.27 1.14 -0.23 0.00 0.43 0.00 0.00 52.55 54.16 2f1d s ASP 102 Cb -0.07 2.01 0.12 0.00 -0.30 0.00 0.00 42.92 44.68 2f1d s ASP 102 CO 0.15 -0.18 0.99 0.12 -0.17 0.00 0.00 175.17 176.08 2f1d s PHE 103 N 2.74 -0.54 -0.16 -5.34 5.36 -0.61 -4.91 117.98 114.53 2f1d s PHE 103 Ca -0.01 1.24 0.00 0.00 -0.96 0.00 0.00 56.93 57.20 2f1d s PHE 103 Cb -0.10 0.37 0.00 0.00 -0.34 0.00 0.00 43.02 42.95 2f1d s PHE 103 CO -0.18 -0.26 -0.16 0.99 -1.46 0.00 0.00 175.22 174.15 2f1d s THR 104 N 0.56 2.58 -0.09 0.12 2.01 -1.26 -1.52 115.64 118.03 2f1d s THR 104 Ca -0.00 -0.80 0.04 0.00 0.31 0.00 0.00 61.69 61.23 2f1d s THR 104 Cb -0.05 -2.09 0.00 0.00 0.01 0.00 0.00 72.50 70.38 2f1d s THR 104 CO -0.09 0.52 -0.21 0.00 -0.69 0.00 0.00 174.62 174.15 2f1d s ALA 105 N 0.85 1.94 0.28 7.40 0.00 -0.83 -4.97 121.76 126.43 2f1d s ALA 105 Ca -0.05 -0.83 -0.09 0.00 0.00 0.00 0.00 51.96 50.99 2f1d s ALA 105 Cb -0.15 -0.75 -0.07 0.00 0.00 0.00 0.00 23.12 22.15 2f1d s ALA 105 CO -0.01 0.24 0.60 -1.25 0.00 0.00 0.00 175.76 175.34 2f1d s PRO 106 N 0.44 3.79 -0.28 0.00 0.04 -1.26 -1.83 135.00 135.90 2f1d s PRO 106 Ca -0.18 0.30 -0.03 0.00 0.04 0.00 0.00 61.00 61.13 2f1d s PRO 106 Cb -0.17 -2.58 0.09 0.00 0.04 0.00 0.00 34.50 31.88 2f1d s PRO 106 CO 0.07 0.23 0.11 -1.17 0.04 0.00 0.00 177.00 176.28 2f1d s LEU 107 N -3.13 1.15 0.00 -3.56 2.96 -0.71 -4.96 118.68 110.43 2f1d s LEU 107 Ca 0.48 -1.31 0.00 0.00 -0.22 0.00 0.00 54.13 53.08 2f1d s LEU 107 Cb -0.11 -0.54 0.00 0.00 0.50 0.00 0.00 46.19 46.04 2f1d s LEU 107 CO 0.24 -0.41 0.00 0.47 -1.32 0.00 0.00 176.35 175.33 2f1d n ASP 108 N 5.10 0.00 0.15 3.68 8.00 -1.26 -2.09 116.55 130.13 2f1d n ASP 108 Ca -0.05 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.58 2f1d n ASP 108 Cb 0.43 0.00 0.38 0.00 -0.02 0.00 0.00 41.12 41.91 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 -6.94 -1.24 9.09 -1.97 -3.45 114.58 110.07 2f1d h GLU 109 Ca 0.00 0.00 -0.48 0.00 0.05 0.00 0.00 59.36 58.93 2f1d h GLU 109 Cb 0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2f1d h GLU 109 CO 0.00 0.00 0.21 0.00 0.05 0.00 0.00 179.01 179.27 2f1d s ALA 110 N -3.21 3.23 -0.29 1.06 0.00 -0.89 -2.83 121.76 118.83 2f1d s ALA 110 Ca 0.08 0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.09 2f1d s ALA 110 Cb 0.10 -2.89 0.19 0.00 0.00 0.00 0.00 23.12 20.52 2f1d s ALA 110 CO 0.58 0.02 0.57 -1.17 0.00 0.00 0.00 175.76 175.76 2f1d s LEU 111 N -3.65 -1.45 -0.13 0.00 2.96 -0.85 -1.74 118.68 113.82 2f1d s LEU 111 Ca 0.55 0.42 0.00 0.00 -0.22 0.00 0.00 54.13 54.89 2f1d s LEU 111 Cb -0.10 1.99 -0.01 0.00 0.50 0.00 0.00 46.19 48.57 2f1d s LEU 111 CO 0.26 -0.29 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.24 2f1d s ILE 112 N 2.81 2.96 -0.13 6.68 -1.09 -0.76 -1.00 121.20 130.67 2f1d s ILE 112 Ca 0.14 -0.69 -0.07 0.00 -2.23 0.00 0.00 60.65 57.80 2f1d s ILE 112 Cb -0.12 -2.24 -0.04 0.00 -1.58 0.00 0.00 42.46 38.48 2f1d s ILE 112 CO -0.24 0.52 0.12 -2.28 -1.23 0.00 0.00 174.94 171.84 2f1d s HIS 113 N 0.39 3.51 -0.02 3.97 5.65 0.29 -1.97 115.29 127.09 2f1d s HIS 113 Ca -0.11 0.44 0.00 0.00 0.25 0.00 0.00 55.06 55.64 2f1d s HIS 113 Cb -0.16 -1.97 0.03 0.00 -1.18 0.00 0.00 32.58 29.30 2f1d s HIS 113 CO 0.06 0.61 0.02 0.08 -0.65 0.00 0.00 174.74 174.85 2f1d s VAL 114 N -0.71 0.05 -0.35 0.89 1.01 -0.58 -1.36 120.40 119.36 2f1d s VAL 114 Ca 0.13 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.27 2f1d s VAL 114 Cb -0.12 -0.17 0.14 0.00 0.00 0.00 0.00 36.38 36.24 2f1d s VAL 114 CO 0.03 0.11 0.27 -0.55 0.00 0.00 0.00 175.10 174.96 2f1d s SER 115 N 1.03 2.29 0.19 3.32 0.15 -0.69 -1.58 113.70 118.42 2f1d s SER 115 Ca -0.09 -1.80 0.04 0.00 0.70 0.00 0.00 55.95 54.79 2f1d s SER 115 Cb -0.13 0.01 -0.03 0.00 -1.71 0.00 0.00 66.02 64.15 2f1d s SER 115 CO -0.02 -0.31 0.27 -1.48 1.20 0.00 0.00 173.24 172.90 2f1d s LEU 116 N 1.37 4.17 -0.05 3.45 0.05 -0.93 -3.04 118.68 123.70 2f1d s LEU 116 Ca 0.16 0.04 -0.01 0.00 0.05 0.00 0.00 54.13 54.36 2f1d s LEU 116 Cb -0.19 -2.74 0.03 0.00 -2.05 0.00 0.00 46.19 41.24 2f1d s LEU 116 CO -0.06 0.01 0.03 -0.62 -0.55 0.00 0.00 176.35 175.16 2f1d s ASP 117 N -3.50 1.31 -1.28 1.48 -1.08 -0.68 -0.94 116.67 111.98 2f1d s ASP 117 Ca 0.34 -0.01 -0.18 0.00 -0.52 0.00 0.00 52.55 52.17 2f1d s ASP 117 Cb -0.10 -0.30 0.08 0.00 -1.46 0.00 0.00 42.92 41.14 2f1d s ASP 117 CO 0.27 -0.21 1.70 -0.76 0.52 0.00 0.00 175.17 176.69 2f1d s LEU 118 N 1.98 3.90 0.00 -1.34 1.43 -0.61 -1.28 118.68 122.76 2f1d s LEU 118 Ca 0.04 -2.42 0.23 0.00 -1.03 0.00 0.00 54.13 50.94 2f1d s LEU 118 Cb -0.12 -2.57 0.01 0.00 0.03 0.00 0.00 46.19 43.54 2f1d s LEU 118 CO -0.04 -1.16 1.09 -1.54 0.23 0.00 0.00 176.35 174.93 2f1d n SER 119 N 8.25 1.75 -0.04 2.29 3.41 -1.20 -4.94 113.62 123.14 2f1d n SER 119 Ca 0.47 -1.36 -0.01 0.00 -0.26 0.00 0.00 58.87 57.72 2f1d n SER 119 Cb 0.46 0.55 -0.00 0.00 -0.26 0.00 0.00 64.21 64.96 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 1.43 0.23 3.04 5.00 0.00 0.12 -4.99 105.19 110.02 2f1d n GLY 120 Ca 0.08 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.36 2.37 0.15 1.61 0.52 -0.81 -4.84 118.95 116.59 2f1d s ARG 121 Ca 0.00 -0.59 -0.30 0.00 -0.52 0.00 0.00 55.73 54.32 2f1d s ARG 121 Cb 0.00 -2.12 -0.07 0.00 0.52 0.00 0.00 34.95 33.28 2f1d s ARG 121 CO 0.00 -0.20 1.10 -1.25 0.02 0.00 0.00 175.30 174.97 2f1d s PRO 122 N 1.38 4.58 -0.29 3.54 0.04 -1.26 -3.63 135.00 139.36 2f1d s PRO 122 Ca 0.03 1.70 -0.17 0.00 0.04 0.00 0.00 61.00 62.59 2f1d s PRO 122 Cb -0.13 -3.30 0.13 0.00 0.04 0.00 0.00 34.50 31.24 2f1d s PRO 122 CO -0.09 0.04 0.91 -0.47 0.04 0.00 0.00 177.00 177.43 2f1d s TYR 123 N -0.02 -0.68 -0.30 0.56 5.04 -0.55 -4.95 117.35 116.46 2f1d s TYR 123 Ca 0.50 1.39 -0.02 0.00 -2.44 0.00 0.00 57.07 56.51 2f1d s TYR 123 Cb -0.29 0.41 0.05 0.00 0.35 0.00 0.00 41.96 42.48 2f1d s TYR 123 CO 0.34 -0.33 -0.00 -1.17 -1.34 0.00 0.00 175.55 173.04 2f1d s LEU 124 N 1.25 3.89 -0.05 6.97 2.96 -1.26 -0.69 118.68 131.75 2f1d s LEU 124 Ca -0.08 -1.28 -0.23 0.00 -0.22 0.00 0.00 54.13 52.33 2f1d s LEU 124 Cb -0.04 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 2f1d s LEU 124 CO -0.15 -0.26 0.67 -0.83 -1.32 0.00 0.00 176.35 174.47 2f1d s GLY 125 N 1.25 2.62 -0.28 7.98 0.00 0.53 -5.00 107.32 114.41 2f1d s GLY 125 Ca -0.05 0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.78 2f1d s GLY 125 CO -0.01 1.08 0.34 -0.47 0.00 0.00 0.00 173.10 174.04 2f1d s TYR 126 N 0.56 -0.69 -0.65 1.90 5.04 -1.26 -0.87 117.35 121.40 2f1d s TYR 126 Ca 0.36 0.12 0.06 0.00 -2.44 0.00 0.00 57.07 55.17 2f1d s TYR 126 Cb -0.18 -0.30 0.23 0.00 0.35 0.00 0.00 41.96 42.06 2f1d s TYR 126 CO 0.18 -0.91 0.67 0.09 -1.34 0.00 0.00 175.55 174.24 2f1d n ASN 127 N 5.33 3.40 -4.14 4.32 4.13 -0.71 -5.02 115.26 122.57 2f1d n ASN 127 Ca -0.01 -3.35 -0.25 0.00 1.68 0.00 0.00 54.58 52.64 2f1d n ASN 127 Cb 0.48 -0.69 -0.16 0.00 -1.54 0.00 0.00 39.78 37.87 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 -2.15 1.95 -0.33 3.41 2.96 -1.26 -2.08 118.68 121.18 2f1d s LEU 128 Ca 0.36 -0.34 0.00 0.00 -0.22 0.00 0.00 54.13 53.94 2f1d s LEU 128 Cb 0.10 -0.94 0.11 0.00 0.50 0.00 0.00 46.19 45.96 2f1d s LEU 128 CO -0.06 0.17 0.11 -1.83 -1.32 0.00 0.00 176.35 173.43 2f1d s GLU 129 N -0.11 0.89 -0.43 1.98 -1.05 -1.26 -5.08 118.70 113.63 2f1d s GLU 129 Ca -0.00 -1.32 -0.18 0.00 -0.15 0.00 0.00 54.97 53.33 2f1d s GLU 129 Cb -0.10 -2.18 0.03 0.00 -0.44 0.00 0.00 34.13 31.44 2f1d s GLU 129 CO 0.01 -1.01 0.46 0.42 0.95 0.00 0.00 175.26 176.09 2f1d s ILE 130 N 1.33 5.06 0.03 1.83 1.01 -1.26 -4.97 121.20 124.22 2f1d s ILE 130 Ca 0.11 -0.34 0.31 0.00 0.00 0.00 0.00 60.65 60.73 2f1d s ILE 130 Cb -0.19 -4.07 0.33 0.00 0.01 0.00 0.00 42.46 38.54 2f1d s ILE 130 CO -0.19 -0.47 1.94 1.55 0.00 0.00 0.00 174.94 177.78 2f1d h PRO 131 N 8.76 0.00 -6.17 2.79 0.13 -1.98 -3.43 132.00 132.11 2f1d h PRO 131 Ca -0.26 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.31 2f1d h PRO 131 Cb 1.11 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.15 2f1d h PRO 131 CO 0.82 0.00 -0.61 0.95 -0.23 0.00 0.00 178.00 178.93 2f1d s THR 132 N -3.67 3.36 -2.63 1.56 -4.23 -1.26 -5.04 115.64 103.73 2f1d s THR 132 Ca -0.00 -1.83 0.24 0.00 -1.18 0.00 0.00 61.69 58.91 2f1d s THR 132 Cb 0.09 -2.91 0.37 0.00 1.34 0.00 0.00 72.50 71.39 2f1d s THR 132 CO 0.39 -0.32 1.43 0.00 -0.54 0.00 0.00 174.62 175.59 2f1d n GLN 133 N -0.98 2.19 -3.64 3.99 6.02 -1.26 -4.76 117.38 118.94 2f1d n GLN 133 Ca -0.06 -1.77 -0.12 0.00 -0.01 0.00 0.00 57.00 55.04 2f1d n GLN 133 Cb 0.60 -1.47 -0.07 0.00 1.02 0.00 0.00 30.24 30.31 2f1d n GLN 133 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2f1d s ARG 134 N -1.79 0.78 -0.30 -1.09 0.52 -1.26 -3.32 118.95 112.48 2f1d s ARG 134 Ca 0.34 1.03 0.03 0.00 -0.52 0.00 0.00 55.73 56.60 2f1d s ARG 134 Cb 0.21 0.32 0.08 0.00 0.52 0.00 0.00 34.95 36.08 2f1d s ARG 134 CO 0.30 -0.11 -0.03 0.14 0.02 0.00 0.00 175.30 175.63 2f1d s VAL 135 N 0.70 2.30 0.00 3.52 -7.23 -1.14 -4.95 120.40 113.60 2f1d s VAL 135 Ca -0.03 -1.92 0.00 0.00 -1.81 0.00 0.00 61.98 58.22 2f1d s VAL 135 Cb -0.05 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.39 2f1d s VAL 135 CO -0.04 -0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.07 2f1d n GLY 136 N 4.38 2.95 0.50 2.32 0.00 -1.26 -2.75 105.19 111.33 2f1d n GLY 136 Ca -0.06 -0.25 0.06 0.00 0.00 0.00 0.00 46.02 45.77 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 1.56 -2.99 2.61 -2.24 -1.26 -5.01 114.28 106.95 2f1d n THR 137 Ca 0.00 -1.50 -0.42 0.00 -2.27 0.00 0.00 64.05 59.87 2f1d n THR 137 Cb 0.00 0.13 -0.05 0.00 -2.10 0.00 0.00 70.33 68.31 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 -1.90 3.19 0.13 4.78 5.04 -1.11 -5.01 117.35 122.46 2f1d s TYR 138 Ca 0.26 0.70 -0.33 0.00 -2.44 0.00 0.00 57.07 55.26 2f1d s TYR 138 Cb 0.20 -3.19 -0.13 0.00 0.35 0.00 0.00 41.96 39.19 2f1d s TYR 138 CO 0.08 -0.57 1.68 -3.47 -1.34 0.00 0.00 175.55 171.93 2f1d n ASP 139 N 6.15 3.41 0.21 4.32 -0.08 -1.26 -2.91 116.55 126.39 2f1d n ASP 139 Ca 0.02 1.05 0.09 0.00 -1.51 0.00 0.00 54.79 54.45 2f1d n ASP 139 Cb 0.48 -1.46 0.35 0.00 2.34 0.00 0.00 41.12 42.84 2f1d n ASP 139 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2f1d h THR 140 N 4.06 0.50 0.00 5.18 1.03 -1.85 -2.92 112.91 118.92 2f1d h THR 140 Ca -0.45 -1.28 -0.02 0.00 -0.01 0.00 0.00 66.41 64.64 2f1d h THR 140 Cb 1.24 1.91 -0.00 0.00 -1.07 0.00 0.00 68.15 70.23 2f1d h THR 140 CO 0.92 0.23 -0.09 1.56 -0.01 0.00 0.00 175.52 178.12 2f1d h GLN 141 N 0.00 0.00 0.00 0.00 4.20 -1.90 -2.92 115.11 114.49 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 0.89 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.67 2f1d h GLN 141 CO 0.03 0.09 0.00 -0.07 -0.67 0.00 0.00 178.83 178.21 2f1d h LEU 142 N 0.00 0.00 -0.78 1.46 4.07 -1.91 -2.70 115.31 115.46 2f1d h LEU 142 Ca -0.00 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.91 2f1d h LEU 142 Cb 0.19 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.89 2f1d h LEU 142 CO 0.01 0.00 0.30 0.58 -1.08 0.00 0.00 178.44 178.25 2f1d h VAL 143 N 0.00 1.26 -0.34 1.22 2.07 -1.72 -0.69 116.25 118.05 2f1d h VAL 143 Ca 0.00 -0.83 -0.10 0.00 0.82 0.00 0.00 66.70 66.59 2f1d h VAL 143 Cb 0.31 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 2f1d h VAL 143 CO 0.00 0.34 -0.18 -0.08 0.02 0.00 0.00 177.57 177.67 2f1d h GLU 144 N 1.13 0.72 -0.31 1.57 4.81 -1.70 -3.17 114.58 117.63 2f1d h GLU 144 Ca 0.26 -0.32 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 2f1d h GLU 144 Cb 0.23 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 2f1d h GLU 144 CO -0.02 0.92 0.07 1.25 -0.73 0.00 0.00 179.01 180.51 2f1d h HIS 145 N 0.49 0.44 0.64 0.92 2.76 -1.45 -2.49 115.15 116.46 2f1d h HIS 145 Ca 0.07 -0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.19 2f1d h HIS 145 Cb 0.72 -0.14 0.01 0.00 1.55 0.00 0.00 27.41 29.54 2f1d h HIS 145 CO 0.06 0.39 -0.31 0.35 -1.30 0.00 0.00 177.93 177.13 2f1d h PHE 146 N 0.44 -0.80 0.00 5.26 3.57 -1.10 -1.79 116.94 122.52 2f1d h PHE 146 Ca 0.11 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 2f1d h PHE 146 Cb 0.17 0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.18 2f1d h PHE 146 CO 0.01 -0.49 -0.03 0.74 -2.23 0.00 0.00 178.31 176.30 2f1d h PHE 147 N -0.88 0.00 0.10 0.41 -1.00 -1.51 -1.66 116.94 112.40 2f1d h PHE 147 Ca -0.09 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.50 2f1d h PHE 147 Cb 0.67 0.00 0.02 0.00 3.61 0.00 0.00 35.95 40.25 2f1d h PHE 147 CO -0.03 0.03 -0.80 0.37 -1.61 0.00 0.00 178.31 176.28 2f1d h GLN 148 N 0.00 0.36 -0.69 1.51 5.75 -1.32 -2.64 115.11 118.08 2f1d h GLN 148 Ca -0.00 -0.52 -0.07 0.00 -0.15 0.00 0.00 58.65 57.90 2f1d h GLN 148 Cb 0.34 0.18 -0.03 0.00 1.07 0.00 0.00 27.48 29.05 2f1d h GLN 148 CO 0.00 1.22 0.15 0.77 -2.65 0.00 0.00 178.83 178.32 2f1d h SER 149 N -0.23 1.06 0.03 -0.69 0.02 -1.10 -2.18 113.55 110.44 2f1d h SER 149 Ca -0.13 -0.23 -0.07 0.00 -0.84 0.00 0.00 61.79 60.51 2f1d h SER 149 Cb 1.58 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.82 2f1d h SER 149 CO 0.15 1.03 -0.21 0.25 -1.14 0.00 0.00 176.83 176.91 2f1d h LEU 150 N 1.06 0.32 0.05 5.07 6.46 -1.39 -3.07 115.31 123.80 2f1d h LEU 150 Ca 0.22 -0.09 -0.26 0.00 -0.12 0.00 0.00 57.88 57.63 2f1d h LEU 150 Cb 0.39 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.21 2f1d h LEU 150 CO 0.01 0.55 -1.28 0.58 -0.62 0.00 0.00 178.44 177.68 2f1d h VAL 151 N 0.30 1.41 -0.04 1.05 2.07 -1.25 -1.76 116.25 118.04 2f1d h VAL 151 Ca 0.05 -3.11 -0.16 0.00 0.82 0.00 0.00 66.70 64.31 2f1d h VAL 151 Cb 0.55 2.77 -0.01 0.00 -1.52 0.00 0.00 31.29 33.07 2f1d h VAL 151 CO 0.04 0.84 -0.69 0.78 0.02 0.00 0.00 177.57 178.56 2f1d h ASN 152 N 0.03 0.22 0.39 0.57 2.35 -1.30 -2.03 115.58 115.80 2f1d h ASN 152 Ca -0.13 -0.14 -0.31 0.00 -0.55 0.00 0.00 56.30 55.17 2f1d h ASN 152 Cb 1.90 -0.06 -0.05 0.00 0.05 0.00 0.00 38.32 40.16 2f1d h ASN 152 CO 0.14 0.84 -1.81 0.35 -1.65 0.00 0.00 177.43 175.29 2f1d n THR 153 N -3.79 1.63 -0.16 2.81 -2.24 -1.19 -4.32 114.28 107.02 2f1d n THR 153 Ca -0.02 -0.77 -0.11 0.00 -2.27 0.00 0.00 64.05 60.88 2f1d n THR 153 Cb 0.68 -1.15 -0.00 0.00 -2.10 0.00 0.00 70.33 67.76 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 0.01 0.98 -0.89 3.42 0.87 -1.32 -3.39 113.55 113.22 2f1d h SER 154 Ca -0.33 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 59.85 2f1d h SER 154 Cb 2.03 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 63.72 2f1d h SER 154 CO 0.08 1.13 0.00 0.61 -0.53 0.00 0.00 176.83 178.12 2f1d n GLY 155 N -0.18 0.91 3.56 5.77 0.00 -0.78 -4.70 105.19 109.78 2f1d n GLY 155 Ca 0.00 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 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 -3.88 2.09 -0.22 1.61 -2.45 -1.13 0.16 119.30 115.48 2f1d s MET 156 Ca 0.00 -1.03 -0.08 0.00 -1.25 0.00 0.00 55.69 53.32 2f1d s MET 156 Cb 0.00 -2.28 -0.04 0.00 1.25 0.00 0.00 34.83 33.76 2f1d s MET 156 CO 0.00 0.51 0.10 0.99 1.05 0.00 0.00 175.02 177.67 2f1d s THR 157 N -1.18 4.86 -0.13 10.11 2.01 -0.40 -1.48 115.64 129.41 2f1d s THR 157 Ca 0.20 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 62.17 2f1d s THR 157 Cb -0.11 -3.24 0.05 0.00 0.01 0.00 0.00 72.50 69.21 2f1d s THR 157 CO 0.13 0.38 0.06 -0.22 -0.69 0.00 0.00 174.62 174.28 2f1d s LEU 158 N 0.97 0.47 -0.25 4.42 2.96 0.13 -1.69 118.68 125.69 2f1d s LEU 158 Ca 0.05 -0.41 -0.08 0.00 -0.22 0.00 0.00 54.13 53.48 2f1d s LEU 158 Cb -0.14 -0.30 -0.03 0.00 0.50 0.00 0.00 46.19 46.22 2f1d s LEU 158 CO 0.03 -0.30 0.08 -1.00 -1.32 0.00 0.00 176.35 173.84 2f1d s HIS 159 N 2.08 3.10 -0.13 5.38 3.76 -1.17 -0.35 115.29 127.96 2f1d s HIS 159 Ca 0.03 -0.35 0.00 0.00 -0.15 0.00 0.00 55.06 54.59 2f1d s HIS 159 Cb -0.15 -2.24 -0.01 0.00 1.11 0.00 0.00 32.58 31.30 2f1d s HIS 159 CO -0.07 -0.31 -0.14 0.42 -0.85 0.00 0.00 174.74 173.79 2f1d s ILE 160 N 1.54 2.90 -0.02 0.60 1.01 -0.05 -1.70 121.20 125.49 2f1d s ILE 160 Ca 0.06 -0.71 0.03 0.00 0.00 0.00 0.00 60.65 60.03 2f1d s ILE 160 Cb -0.15 -2.21 -0.00 0.00 0.01 0.00 0.00 42.46 40.11 2f1d s ILE 160 CO 0.04 0.52 -0.10 -0.13 0.00 0.00 0.00 174.94 175.28 2f1d s ARG 161 N 0.46 0.89 -0.40 2.79 0.52 -0.46 -1.73 118.95 121.01 2f1d s ARG 161 Ca -0.10 -0.34 -0.14 0.00 -0.52 0.00 0.00 55.73 54.62 2f1d s ARG 161 Cb -0.16 -0.84 0.02 0.00 0.52 0.00 0.00 34.95 34.48 2f1d s ARG 161 CO 0.05 0.18 0.28 -1.14 0.02 0.00 0.00 175.30 174.69 2f1d s GLN 162 N -0.06 3.00 -0.00 3.54 0.74 -0.88 -0.55 119.66 125.43 2f1d s GLN 162 Ca 0.01 -1.00 0.07 0.00 0.05 0.00 0.00 55.36 54.49 2f1d s GLN 162 Cb -0.06 -3.93 -0.24 0.00 1.10 0.00 0.00 33.01 29.88 2f1d s GLN 162 CO -0.00 -0.72 0.82 -0.07 -0.55 0.00 0.00 175.29 174.77 2f1d h LEU 163 N 8.59 0.11 -7.67 3.68 3.38 -1.41 -3.49 115.31 118.50 2f1d h LEU 163 Ca -0.27 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.47 2f1d h LEU 163 Cb 1.12 -0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.72 2f1d h LEU 163 CO 0.71 1.16 -0.07 0.00 0.09 0.00 0.00 178.44 180.33 2f1d s ALA 164 N -2.62 -0.75 0.00 1.53 0.00 -1.10 -4.94 121.76 113.87 2f1d s ALA 164 Ca -0.06 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.60 2f1d s ALA 164 Cb 0.08 0.80 0.00 0.00 0.00 0.00 0.00 23.12 24.01 2f1d s ALA 164 CO 0.82 -0.73 0.00 0.41 0.00 0.00 0.00 175.76 176.27 2f1d n GLY 165 N -0.28 4.41 0.90 0.00 0.00 -1.13 -2.02 105.19 107.07 2f1d n GLY 165 Ca -0.11 -0.71 -0.02 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.63 0.08 -2.20 1.61 1.02 -1.26 -4.95 120.64 114.32 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 -0.64 -0.03 0.00 -0.02 0.00 0.00 31.44 30.75 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 -5.87 6.81 0.36 1.62 3.84 -1.26 -4.69 114.94 115.75 2f1d s ASN 167 Ca -0.05 2.06 0.04 0.00 0.21 0.00 0.00 52.86 55.12 2f1d s ASN 167 Cb 0.01 -2.55 0.69 0.00 -0.55 0.00 0.00 41.25 38.85 2f1d s ASN 167 CO 0.07 -0.80 1.97 0.28 -2.79 0.00 0.00 177.10 175.83 2f1d h SER 168 N 8.45 0.56 0.41 -4.21 0.02 -1.97 -1.14 113.55 115.67 2f1d h SER 168 Ca -0.36 -0.05 -0.11 0.00 -0.84 0.00 0.00 61.79 60.44 2f1d h SER 168 Cb 1.16 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 2f1d h SER 168 CO 0.93 0.49 -0.47 -0.74 -1.14 0.00 0.00 176.83 175.90 2f1d h HIS 169 N 0.63 0.09 0.03 3.45 -0.00 -1.97 -2.44 115.15 114.94 2f1d h HIS 169 Ca 0.16 -0.03 -0.22 0.00 -0.00 0.00 0.00 60.37 60.28 2f1d h HIS 169 Cb 0.08 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.47 2f1d h HIS 169 CO 0.01 0.54 -0.98 0.45 -0.00 0.00 0.00 177.93 177.94 2f1d h HIS 170 N 0.06 0.33 0.00 5.26 3.86 -1.67 -2.76 115.15 120.24 2f1d h HIS 170 Ca 0.00 -0.20 -0.00 0.00 -1.16 0.00 0.00 60.37 59.01 2f1d h HIS 170 Cb 0.86 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.30 2f1d h HIS 170 CO 0.01 1.07 -0.00 0.82 0.86 0.00 0.00 177.93 180.68 2f1d h ILE 171 N 0.10 1.46 -0.48 2.45 2.04 -1.11 -2.17 117.51 119.79 2f1d h ILE 171 Ca -0.06 -1.38 -0.07 0.00 1.00 0.00 0.00 64.86 64.35 2f1d h ILE 171 Cb 1.65 2.39 -0.02 0.00 -0.74 0.00 0.00 36.82 40.10 2f1d h ILE 171 CO 0.15 0.36 0.02 0.40 0.00 0.00 0.00 178.15 179.07 2f1d h ILE 172 N -0.59 1.24 -0.22 -0.67 2.04 -1.57 -2.29 117.51 115.45 2f1d h ILE 172 Ca -0.00 -0.97 -0.17 0.00 1.00 0.00 0.00 64.86 64.71 2f1d h ILE 172 Cb 0.59 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 2f1d h ILE 172 CO 0.00 0.35 -0.53 -0.08 0.00 0.00 0.00 178.15 177.88 2f1d h GLU 173 N 0.74 0.74 0.00 2.37 4.81 -1.54 -2.73 114.58 118.97 2f1d h GLU 173 Ca 0.15 -0.51 -0.03 0.00 -0.13 0.00 0.00 59.36 58.84 2f1d h GLU 173 Cb 0.43 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 2f1d h GLU 173 CO 0.02 1.13 -0.13 0.00 -0.73 0.00 0.00 179.01 179.30 2f1d h ALA 174 N 0.61 1.74 -0.29 2.92 0.00 -1.32 -1.07 119.26 121.86 2f1d h ALA 174 Ca -0.01 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 2f1d h ALA 174 Cb 1.15 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2f1d h ALA 174 CO 0.12 0.16 -0.46 1.15 0.00 0.00 0.00 179.25 180.22 2f1d h THR 175 N 0.00 1.29 0.00 0.00 2.02 -1.26 -2.46 112.91 112.49 2f1d h THR 175 Ca -0.00 -1.65 -0.17 0.00 0.77 0.00 0.00 66.41 65.36 2f1d h THR 175 Cb 0.23 1.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 2f1d h THR 175 CO 0.02 0.53 -0.80 -0.26 0.37 0.00 0.00 175.52 175.38 2f1d h PHE 176 N 0.60 0.00 -0.41 3.16 -1.00 -1.12 -0.54 116.94 117.62 2f1d h PHE 176 Ca 0.04 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.69 2f1d h PHE 176 Cb 1.02 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.57 2f1d h PHE 176 CO 0.05 0.80 -0.24 0.87 -1.61 0.00 0.00 178.31 178.19 2f1d h LYS 177 N 0.00 0.89 0.03 1.51 1.57 -1.23 -2.45 116.57 116.89 2f1d h LYS 177 Ca -0.01 -0.41 -0.24 0.00 -1.87 0.00 0.00 60.65 58.13 2f1d h LYS 177 Cb 1.46 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.76 2f1d h LYS 177 CO 0.10 1.06 -1.01 0.00 -0.57 0.00 0.00 179.45 179.03 2f1d h ALA 178 N 0.81 0.30 -0.15 3.86 0.00 -1.38 -2.38 119.26 120.32 2f1d h ALA 178 Ca 0.09 -0.75 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 2f1d h ALA 178 Cb 0.81 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2f1d h ALA 178 CO 0.07 0.84 0.06 0.35 0.00 0.00 0.00 179.25 180.57 2f1d h PHE 179 N 0.20 0.23 -0.60 0.00 3.57 -1.13 -1.71 116.94 117.49 2f1d h PHE 179 Ca -0.09 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.36 2f1d h PHE 179 Cb 1.67 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 40.31 2f1d h PHE 179 CO 0.06 0.30 0.24 0.00 -2.23 0.00 0.00 178.31 176.69 2f1d h ALA 180 N 0.90 0.78 0.00 2.41 0.00 -1.47 0.76 119.26 122.64 2f1d h ALA 180 Ca 0.05 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 2f1d h ALA 180 Cb 0.17 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2f1d h ALA 180 CO -0.00 0.39 -0.28 0.00 0.00 0.00 0.00 179.25 179.35 2f1d h ARG 181 N 0.83 0.00 0.15 0.00 3.08 -1.36 -1.97 114.38 115.10 2f1d h ARG 181 Ca 0.20 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.94 2f1d h ARG 181 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2f1d h ARG 181 CO -0.02 0.28 -1.53 0.00 -1.07 0.00 0.00 179.97 177.63 2f1d h ALA 182 N 1.72 0.18 -0.71 0.04 0.00 -0.87 -3.00 119.26 116.62 2f1d h ALA 182 Ca -0.00 -1.06 -0.05 0.00 0.00 0.00 0.00 54.91 53.79 2f1d h ALA 182 Cb 0.68 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2f1d h ALA 182 CO 0.04 1.05 0.24 1.25 0.00 0.00 0.00 179.25 181.83 2f1d h LEU 183 N 0.08 1.03 -0.28 0.00 6.46 -0.71 -2.69 115.31 119.19 2f1d h LEU 183 Ca -0.25 -0.20 0.03 0.00 -0.12 0.00 0.00 57.88 57.34 2f1d h LEU 183 Cb 2.04 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 41.67 2f1d h LEU 183 CO 0.18 0.95 0.08 -0.09 -0.62 0.00 0.00 178.44 178.95 2f1d h ARG 184 N 1.04 0.19 -0.64 1.25 2.43 -1.44 -0.72 114.38 116.49 2f1d h ARG 184 Ca 0.23 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.47 2f1d h ARG 184 Cb 0.28 -0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.72 2f1d h ARG 184 CO -0.01 0.13 0.30 0.37 -1.51 0.00 0.00 179.97 179.25 2f1d h GLN 185 N 0.20 0.52 0.00 0.20 4.15 -1.35 -2.24 115.11 116.59 2f1d h GLN 185 Ca 0.12 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.51 2f1d h GLN 185 Cb 0.11 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.68 2f1d h GLN 185 CO -0.14 0.34 0.00 0.00 -1.93 0.00 0.00 178.83 177.10 2f1d h ALA 186 N 1.39 1.00 0.00 3.38 0.00 -1.13 -3.26 119.26 120.64 2f1d h ALA 186 Ca 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 2f1d h ALA 186 Cb 0.31 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2f1d h ALA 186 CO -0.25 0.00 -1.35 0.25 0.00 0.00 0.00 179.25 177.90 2f1d n THR 187 N -2.92 0.44 -1.55 0.00 -2.24 -0.32 -2.09 114.28 105.60 2f1d n THR 187 Ca 0.04 -0.54 -0.32 0.00 -2.27 0.00 0.00 64.05 60.96 2f1d n THR 187 Cb 0.50 -0.24 0.06 0.00 -2.10 0.00 0.00 70.33 68.55 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 -3.40 2.66 0.14 -0.78 2.02 -0.87 -4.80 118.70 113.68 2f1d s GLU 188 Ca -0.03 1.19 -0.24 0.00 0.02 0.00 0.00 54.97 55.91 2f1d s GLU 188 Cb 0.11 -1.95 -0.08 0.00 0.10 0.00 0.00 34.13 32.32 2f1d s GLU 188 CO 0.83 -1.33 0.75 0.95 0.02 0.00 0.00 175.26 176.48 2f1d s THR 189 N -2.72 4.44 -0.12 3.63 -4.23 -1.26 -1.82 115.64 113.56 2f1d s THR 189 Ca 0.62 1.63 -0.16 0.00 -1.18 0.00 0.00 61.69 62.60 2f1d s THR 189 Cb -0.17 -4.10 -0.04 0.00 1.34 0.00 0.00 72.50 69.52 2f1d s THR 189 CO 0.49 0.52 0.41 -0.62 -0.54 0.00 0.00 174.62 174.88 2f1d s ASP 190 N -1.07 6.61 -1.06 3.99 -1.08 0.09 -4.84 116.67 119.32 2f1d s ASP 190 Ca 0.35 0.73 -0.23 0.00 -0.52 0.00 0.00 52.55 52.88 2f1d s ASP 190 Cb -0.22 -2.25 0.01 0.00 -1.46 0.00 0.00 42.92 38.99 2f1d s ASP 190 CO 0.25 0.06 1.71 -2.16 0.52 0.00 0.00 175.17 175.56 2f1d s PRO 191 N 0.41 3.20 0.00 4.34 0.05 -1.26 -4.85 135.00 136.90 2f1d s PRO 191 Ca 0.23 -1.03 0.25 0.00 0.05 0.00 0.00 61.00 60.49 2f1d s PRO 191 Cb -0.15 -5.29 0.40 0.00 0.05 0.00 0.00 34.50 29.51 2f1d s PRO 191 CO 0.08 -2.81 1.38 0.54 0.05 0.00 0.00 177.00 176.24