#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cpf h ALA 16 N 0.00 1.12 -2.44 7.33 0.00 -1.96 -3.42 119.26 119.89 3cpf h ALA 16 Ca 0.00 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 3cpf h ALA 16 Cb 0.00 -0.21 -0.17 0.00 0.00 0.00 0.00 17.79 17.41 3cpf h ALA 16 CO 0.00 0.24 -0.67 0.95 0.00 0.00 0.00 179.25 179.77 3cpf s THR 17 N -6.07 0.19 0.03 0.00 -4.23 -1.26 -0.76 115.64 103.53 3cpf s THR 17 Ca -0.13 -1.54 0.01 0.00 -1.18 0.00 0.00 61.69 58.86 3cpf s THR 17 Cb 0.18 -1.18 -0.02 0.00 1.34 0.00 0.00 72.50 72.81 3cpf s THR 17 CO 0.78 -0.85 -0.06 0.72 -0.54 0.00 0.00 174.62 174.68 3cpf s PHE 18 N -3.26 0.53 0.45 3.99 -0.71 -0.22 -4.91 117.98 113.85 3cpf s PHE 18 Ca 0.01 -0.49 -0.16 0.00 -1.04 0.00 0.00 56.93 55.24 3cpf s PHE 18 Cb 0.03 -0.33 -0.08 0.00 -1.21 0.00 0.00 43.02 41.43 3cpf s PHE 18 CO -0.08 -0.11 0.91 -1.25 -1.34 0.00 0.00 175.22 173.35 3cpf s PRO 19 N -1.48 3.99 -0.11 1.99 0.04 -1.26 0.22 135.00 138.38 3cpf s PRO 19 Ca -0.11 0.88 -0.19 0.00 0.04 0.00 0.00 61.00 61.61 3cpf s PRO 19 Cb -0.10 -2.22 0.04 0.00 0.04 0.00 0.00 34.50 32.26 3cpf s PRO 19 CO -0.00 -0.13 0.47 1.41 0.04 0.00 0.00 177.00 178.79 3cpf s MET 20 N -3.71 0.69 0.40 4.56 1.75 0.12 -4.87 119.30 118.23 3cpf s MET 20 Ca 0.58 0.36 -0.25 0.00 -1.25 0.00 0.00 55.69 55.12 3cpf s MET 20 Cb -0.10 0.32 -0.08 0.00 2.84 0.00 0.00 34.83 37.81 3cpf s MET 20 CO 0.26 -0.15 1.20 -1.14 -0.65 0.00 0.00 175.02 174.54 3cpf s GLN 21 N -0.45 4.04 0.20 4.11 0.74 -1.26 0.15 119.66 127.17 3cpf s GLN 21 Ca -0.06 1.92 -0.11 0.00 0.05 0.00 0.00 55.36 57.16 3cpf s GLN 21 Cb -0.03 -2.70 0.19 0.00 1.10 0.00 0.00 33.01 31.56 3cpf s GLN 21 CO 0.03 -0.36 1.80 0.00 -0.55 0.00 0.00 175.29 176.21 3cpf h SER 23 N 0.59 0.00 1.53 0.00 4.64 -1.31 -1.42 113.55 117.58 3cpf h SER 23 Ca 0.26 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.49 3cpf h SER 23 Cb 0.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 3cpf h SER 23 CO -0.17 0.00 -0.47 0.00 -0.87 0.00 0.00 176.83 175.31 3cpf h ALA 24 N 2.00 0.71 -2.70 5.18 0.00 -1.42 -3.46 119.26 119.57 3cpf h ALA 24 Ca 0.00 -0.42 -0.56 0.00 0.00 0.00 0.00 54.91 53.94 3cpf h ALA 24 Cb 0.00 -0.06 0.18 0.00 0.00 0.00 0.00 17.79 17.91 3cpf h ALA 24 CO -0.00 0.57 0.04 1.28 0.00 0.00 0.00 179.25 181.14 3cpf n LEU 25 N -3.20 3.22 -3.87 0.00 4.77 -0.54 -5.01 117.00 112.38 3cpf n LEU 25 Ca 0.02 0.68 -0.11 0.00 -0.03 0.00 0.00 56.01 56.57 3cpf n LEU 25 Cb 0.72 -1.38 -0.12 0.00 -2.33 0.00 0.00 43.42 40.31 3cpf n LEU 25 CO 0.40 -2.14 -0.26 -0.13 -1.33 0.00 0.00 177.39 173.93 3cpf s ARG 26 N -3.14 0.22 0.30 3.23 0.52 -1.26 -5.06 118.95 113.76 3cpf s ARG 26 Ca 0.73 -0.11 -0.29 0.00 -0.52 0.00 0.00 55.73 55.55 3cpf s ARG 26 Cb -0.36 0.09 -0.13 0.00 0.52 0.00 0.00 34.95 35.07 3cpf s ARG 26 CO 0.50 -0.04 1.23 1.17 0.02 0.00 0.00 175.30 178.18 3cpf n LYS 27 N 2.45 1.84 -0.52 3.54 4.81 -1.26 -0.07 118.16 128.95 3cpf n LYS 27 Ca -0.16 0.65 0.00 0.00 -0.87 0.00 0.00 58.31 57.92 3cpf n LYS 27 Cb 0.58 -2.18 0.00 0.00 0.02 0.00 0.00 35.03 33.45 3cpf n LYS 27 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3cpf n ASN 28 N 1.24 0.00 -2.25 3.14 3.02 0.12 -4.96 115.26 115.57 3cpf n ASN 28 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 3cpf n ASN 28 Cb 0.33 -1.10 0.00 0.00 -0.61 0.00 0.00 39.78 38.40 3cpf n ASN 28 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cpf n GLY 29 N -2.00 -0.50 3.02 7.41 0.00 0.90 -4.75 105.19 109.26 3cpf n GLY 29 Ca 0.00 -1.72 -0.12 0.00 0.00 0.00 0.00 46.02 44.18 3cpf n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3cpf s PHE 30 N -0.22 0.50 0.12 1.61 0.08 -1.26 -0.81 117.98 118.00 3cpf s PHE 30 Ca 0.00 -0.44 -0.13 0.00 0.12 0.00 0.00 56.93 56.48 3cpf s PHE 30 Cb 0.00 -0.31 0.02 0.00 -0.57 0.00 0.00 43.02 42.16 3cpf s PHE 30 CO 0.00 -0.10 0.34 0.54 -0.10 0.00 0.00 175.22 175.90 3cpf s VAL 31 N -1.19 0.09 -0.22 -0.44 0.11 0.00 -4.65 120.40 114.11 3cpf s VAL 31 Ca -0.10 -0.85 -0.09 0.00 -2.93 0.00 0.00 61.98 58.02 3cpf s VAL 31 Cb -0.09 -1.31 -0.04 0.00 -1.53 0.00 0.00 36.38 33.41 3cpf s VAL 31 CO -0.00 -0.40 0.12 -0.69 -3.33 0.00 0.00 175.10 170.79 3cpf s VAL 32 N -3.84 5.07 -0.11 2.04 1.01 0.32 0.25 120.40 125.14 3cpf s VAL 32 Ca 0.05 0.07 -0.00 0.00 0.00 0.00 0.00 61.98 62.10 3cpf s VAL 32 Cb 0.03 -3.33 0.02 0.00 0.00 0.00 0.00 36.38 33.10 3cpf s VAL 32 CO -0.10 0.39 -0.07 -0.76 0.00 0.00 0.00 175.10 174.56 3cpf s LEU 33 N 0.83 1.17 -1.45 3.92 1.43 0.11 -4.66 118.68 120.04 3cpf s LEU 33 Ca 0.06 -0.30 -0.03 0.00 -1.03 0.00 0.00 54.13 52.83 3cpf s LEU 33 Cb -0.13 -0.83 0.02 0.00 0.03 0.00 0.00 46.19 45.28 3cpf s LEU 33 CO 0.02 -0.12 0.49 0.29 0.23 0.00 0.00 176.35 177.26 3cpf n LYS 34 N 4.95 -3.37 -0.34 1.70 5.02 -1.26 -0.60 118.16 124.26 3cpf n LYS 34 Ca -0.12 0.41 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 3cpf n LYS 34 Cb 0.50 -4.64 0.00 0.00 -0.02 0.00 0.00 35.03 30.87 3cpf n LYS 34 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3cpf n GLY 35 N -1.90 2.11 3.89 0.72 0.00 -1.26 -5.00 105.19 103.75 3cpf n GLY 35 Ca -0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 3cpf n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cpf s ARG 36 N -0.03 3.43 -0.09 1.61 1.81 0.23 -5.07 118.95 120.85 3cpf s ARG 36 Ca 0.00 -0.20 -0.30 0.00 -1.72 0.00 0.00 55.73 53.51 3cpf s ARG 36 Cb 0.00 -3.15 -0.02 0.00 -0.45 0.00 0.00 34.95 31.33 3cpf s ARG 36 CO 0.00 0.74 1.12 -1.25 -0.68 0.00 0.00 175.30 175.23 3cpf s PRO 37 N -1.36 4.37 0.08 3.54 0.04 -1.26 0.07 135.00 140.48 3cpf s PRO 37 Ca 0.20 1.55 0.06 0.00 0.04 0.00 0.00 61.00 62.84 3cpf s PRO 37 Cb -0.12 -3.56 -0.03 0.00 0.04 0.00 0.00 34.50 30.82 3cpf s PRO 37 CO 0.09 -0.41 -0.15 0.00 0.04 0.00 0.00 177.00 176.57 3cpf s LYS 39 N -1.81 4.22 -0.04 0.00 2.20 -0.94 -0.81 119.74 122.57 3cpf s LYS 39 Ca 0.00 -0.02 -0.30 0.00 -0.36 0.00 0.00 55.97 55.29 3cpf s LYS 39 Cb -0.10 -3.42 -0.03 0.00 -1.51 0.00 0.00 37.83 32.77 3cpf s LYS 39 CO 0.03 0.27 1.12 0.42 -0.36 0.00 0.00 175.35 176.83 3cpf s ILE 40 N 0.41 4.43 -0.05 5.43 1.01 0.01 -0.79 121.20 131.64 3cpf s ILE 40 Ca 0.13 1.74 0.01 0.00 0.00 0.00 0.00 60.65 62.53 3cpf s ILE 40 Cb -0.12 -4.11 -0.01 0.00 0.01 0.00 0.00 42.46 38.22 3cpf s ILE 40 CO 0.02 0.05 0.05 1.33 0.00 0.00 0.00 174.94 176.38 3cpf n VAL 41 N 4.36 0.00 -3.67 2.92 0.24 -0.59 0.15 118.33 121.74 3cpf n VAL 41 Ca 0.09 -0.43 -0.08 0.00 -2.04 0.00 0.00 64.34 61.88 3cpf n VAL 41 Cb 0.48 0.95 -0.09 0.00 -1.47 0.00 0.00 33.84 33.71 3cpf n VAL 41 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3cpf s GLU 42 N -1.20 0.45 -0.17 7.34 2.02 -1.17 -4.96 118.70 121.00 3cpf s GLU 42 Ca 0.00 1.02 -0.04 0.00 0.02 0.00 0.00 54.97 55.96 3cpf s GLU 42 Cb 0.01 0.21 0.08 0.00 0.10 0.00 0.00 34.13 34.53 3cpf s GLU 42 CO 0.05 -0.19 0.28 1.41 0.02 0.00 0.00 175.26 176.83 3cpf s MET 43 N 1.98 0.20 0.07 1.61 1.75 -1.26 -1.04 119.30 122.60 3cpf s MET 43 Ca -0.07 0.63 0.05 0.00 -1.25 0.00 0.00 55.69 55.05 3cpf s MET 43 Cb -0.09 -0.31 -0.03 0.00 2.84 0.00 0.00 34.83 37.24 3cpf s MET 43 CO -0.15 -0.41 -0.13 -1.54 -0.65 0.00 0.00 175.02 172.14 3cpf s SER 44 N 2.43 1.55 -0.12 1.11 1.04 -0.68 -5.00 113.70 114.05 3cpf s SER 44 Ca 0.04 -0.60 0.01 0.00 0.48 0.00 0.00 55.95 55.87 3cpf s SER 44 Cb -0.13 -0.04 0.02 0.00 0.10 0.00 0.00 66.02 65.97 3cpf s SER 44 CO -0.11 -0.09 -0.13 -0.89 0.98 0.00 0.00 173.24 173.00 3cpf s THR 45 N -1.28 1.41 0.16 2.02 2.01 -1.26 -0.13 115.64 118.56 3cpf s THR 45 Ca -0.03 -0.57 0.09 0.00 0.31 0.00 0.00 61.69 61.49 3cpf s THR 45 Cb -0.10 -1.31 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 3cpf s THR 45 CO 0.02 0.43 -0.19 -0.44 -0.69 0.00 0.00 174.62 173.75 3cpf s SER 46 N 1.20 2.71 -0.47 3.53 0.01 0.35 -4.93 113.70 116.10 3cpf s SER 46 Ca -0.03 -0.84 -0.27 0.00 1.31 0.00 0.00 55.95 56.12 3cpf s SER 46 Cb -0.14 -0.16 -0.02 0.00 0.21 0.00 0.00 66.02 65.91 3cpf s SER 46 CO -0.04 -0.01 1.82 -0.54 0.41 0.00 0.00 173.24 174.88 3cpf s LYS 47 N -2.65 2.97 -0.10 12.44 3.01 -1.26 0.25 119.74 134.41 3cpf s LYS 47 Ca 0.15 1.01 -0.21 0.00 -1.01 0.00 0.00 55.97 55.90 3cpf s LYS 47 Cb -0.06 -4.29 -0.28 0.00 -1.01 0.00 0.00 37.83 32.19 3cpf s LYS 47 CO 0.06 -2.30 0.71 1.15 0.51 0.00 0.00 175.35 175.48 3cpf h THR 48 N 6.85 1.36 -3.21 2.17 2.02 -1.99 -3.47 112.91 116.65 3cpf h THR 48 Ca -0.29 -2.43 0.35 0.00 0.77 0.00 0.00 66.41 64.81 3cpf h THR 48 Cb 1.16 3.00 -0.14 0.00 -1.74 0.00 0.00 68.15 70.43 3cpf h THR 48 CO 1.13 0.66 -0.88 1.41 0.37 0.00 0.00 175.52 178.20 3cpf n HIS 53 N -4.17 -3.58 -3.57 3.16 -0.00 -1.26 -5.05 115.22 100.75 3cpf n HIS 53 Ca -0.18 1.88 -0.12 0.00 -0.00 0.00 0.00 57.72 59.30 3cpf n HIS 53 Cb 0.77 -3.25 -0.04 0.00 -0.00 0.00 0.00 29.99 27.47 3cpf n HIS 53 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3cpf s ALA 54 N -3.27 -1.21 0.01 -1.41 0.00 -1.26 -5.02 121.76 109.61 3cpf s ALA 54 Ca 0.00 0.31 0.06 0.00 0.00 0.00 0.00 51.96 52.34 3cpf s ALA 54 Cb 0.00 0.60 -0.02 0.00 0.00 0.00 0.00 23.12 23.70 3cpf s ALA 54 CO 0.00 -0.60 -0.19 0.15 0.00 0.00 0.00 175.76 175.11 3cpf s LYS 55 N -3.21 1.43 -0.31 0.00 1.02 0.14 -1.41 119.74 117.41 3cpf s LYS 55 Ca -0.01 -0.80 -0.08 0.00 0.02 0.00 0.00 55.97 55.10 3cpf s LYS 55 Cb 0.00 -1.46 0.01 0.00 -0.52 0.00 0.00 37.83 35.86 3cpf s LYS 55 CO -0.08 0.39 0.11 0.08 -0.92 0.00 0.00 175.35 174.93 3cpf s VAL 56 N -0.63 4.20 -0.15 3.17 1.01 0.17 -0.50 120.40 127.67 3cpf s VAL 56 Ca 0.07 -0.63 -0.18 0.00 0.00 0.00 0.00 61.98 61.24 3cpf s VAL 56 Cb -0.08 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 3cpf s VAL 56 CO 0.01 0.05 0.49 -2.28 0.00 0.00 0.00 175.10 173.36 3cpf s HIS 57 N 1.54 3.45 -0.02 5.22 2.46 0.81 -0.06 115.29 128.69 3cpf s HIS 57 Ca 0.03 0.83 0.08 0.00 0.47 0.00 0.00 55.06 56.46 3cpf s HIS 57 Cb -0.17 -2.59 -0.02 0.00 -0.13 0.00 0.00 32.58 29.66 3cpf s HIS 57 CO 0.04 0.06 -0.25 -0.51 -2.47 0.00 0.00 174.74 171.60 3cpf s LEU 58 N 1.05 2.09 -0.09 8.88 1.43 0.77 -1.69 118.68 131.11 3cpf s LEU 58 Ca 0.25 -0.46 0.05 0.00 -1.03 0.00 0.00 54.13 52.93 3cpf s LEU 58 Cb -0.15 -1.35 -0.00 0.00 0.03 0.00 0.00 46.19 44.71 3cpf s LEU 58 CO 0.10 0.32 -0.24 -0.69 0.23 0.00 0.00 176.35 176.07 3cpf s VAL 59 N -0.59 2.09 0.04 -1.59 1.01 -0.21 -1.64 120.40 119.52 3cpf s VAL 59 Ca 0.09 -1.02 0.04 0.00 0.00 0.00 0.00 61.98 61.09 3cpf s VAL 59 Cb -0.10 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 3cpf s VAL 59 CO -0.01 0.56 -0.13 -0.83 0.00 0.00 0.00 175.10 174.70 3cpf s GLY 60 N 0.17 0.73 -0.33 4.51 0.00 0.89 -1.54 107.32 111.75 3cpf s GLY 60 Ca -0.14 -0.82 -0.01 0.00 0.00 0.00 0.00 44.72 43.76 3cpf s GLY 60 CO 0.07 -0.81 0.06 -0.42 0.00 0.00 0.00 173.10 171.99 3cpf s ILE 61 N -0.98 2.89 -0.37 0.90 1.01 0.03 0.49 121.20 125.17 3cpf s ILE 61 Ca -0.01 -1.75 -0.35 0.00 0.00 0.00 0.00 60.65 58.55 3cpf s ILE 61 Cb -0.08 -2.83 -0.15 0.00 0.01 0.00 0.00 42.46 39.41 3cpf s ILE 61 CO 0.01 -0.34 1.22 -0.67 0.00 0.00 0.00 174.94 175.16 3cpf n ASP 62 N 4.54 0.87 0.00 3.58 -0.08 0.88 -2.20 116.55 124.14 3cpf n ASP 62 Ca -0.07 0.85 0.10 0.00 -1.51 0.00 0.00 54.79 54.15 3cpf n ASP 62 Cb 0.42 -0.65 0.52 0.00 2.34 0.00 0.00 41.12 43.75 3cpf n ASP 62 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 3cpf n ILE 63 N 3.12 0.28 -0.01 5.18 -5.35 -0.68 -0.34 119.36 121.54 3cpf n ILE 63 Ca 0.24 0.07 -0.02 0.00 -0.27 0.00 0.00 62.75 62.77 3cpf n ILE 63 Cb -0.04 -0.76 -0.01 0.00 -1.74 0.00 0.00 39.64 37.09 3cpf n ILE 63 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3cpf n PHE 64 N -1.19 0.00 0.16 4.28 3.72 -1.26 -4.79 117.46 118.38 3cpf n PHE 64 Ca 0.11 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.59 3cpf n PHE 64 Cb 0.12 -0.11 -0.11 0.00 -0.94 0.00 0.00 39.48 38.44 3cpf n PHE 64 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3cpf n THR 65 N -2.71 0.00 -0.95 4.37 -2.24 -1.22 -4.99 114.28 106.54 3cpf n THR 65 Ca -0.05 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 3cpf n THR 65 Cb 0.55 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 3cpf n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cpf n GLY 66 N 1.56 0.75 3.76 3.38 0.00 0.53 -5.00 105.19 110.17 3cpf n GLY 66 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3cpf n GLY 66 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cpf s LYS 67 N -0.05 4.36 -0.13 1.61 2.20 -1.26 -4.49 119.74 121.97 3cpf s LYS 67 Ca 0.00 2.20 -0.27 0.00 -0.36 0.00 0.00 55.97 57.54 3cpf s LYS 67 Cb 0.00 -3.09 -0.02 0.00 -1.51 0.00 0.00 37.83 33.21 3cpf s LYS 67 CO 0.00 -0.22 0.88 0.15 -0.36 0.00 0.00 175.35 175.80 3cpf s LYS 68 N -1.37 4.37 0.12 4.03 1.02 -1.26 -0.08 119.74 126.56 3cpf s LYS 68 Ca 0.51 1.14 0.09 0.00 0.02 0.00 0.00 55.97 57.73 3cpf s LYS 68 Cb -0.39 -3.54 -0.04 0.00 -0.52 0.00 0.00 37.83 33.33 3cpf s LYS 68 CO 0.49 -0.26 -0.20 0.71 -0.92 0.00 0.00 175.35 175.17 3cpf s TYR 69 N 1.89 2.49 0.12 3.18 1.51 0.18 -4.97 117.35 121.75 3cpf s TYR 69 Ca 0.42 -0.29 0.07 0.00 -1.01 0.00 0.00 57.07 56.26 3cpf s TYR 69 Cb -0.17 -1.33 -0.04 0.00 -0.11 0.00 0.00 41.96 40.31 3cpf s TYR 69 CO 0.16 0.37 -0.16 -2.00 -1.11 0.00 0.00 175.55 172.81 3cpf s GLU 70 N -2.10 1.06 -0.25 -0.62 2.12 -1.26 -0.07 118.70 117.58 3cpf s GLU 70 Ca 0.17 -1.23 -0.27 0.00 0.36 0.00 0.00 54.97 54.00 3cpf s GLU 70 Cb -0.10 -1.05 0.15 0.00 0.26 0.00 0.00 34.13 33.39 3cpf s GLU 70 CO 0.09 0.21 1.14 0.34 -0.54 0.00 0.00 175.26 176.51 3cpf s ASP 71 N -2.34 -0.30 -0.24 -1.70 3.68 -0.65 -5.01 116.67 110.11 3cpf s ASP 71 Ca 0.09 0.48 -0.02 0.00 2.13 0.00 0.00 52.55 55.22 3cpf s ASP 71 Cb -0.06 0.45 0.02 0.00 -1.45 0.00 0.00 42.92 41.87 3cpf s ASP 71 CO 0.04 -0.17 -0.06 -0.63 0.13 0.00 0.00 175.17 174.48 3cpf s ILE 72 N -0.36 2.98 -0.06 4.11 1.01 -1.26 -0.17 121.20 127.45 3cpf s ILE 72 Ca 0.03 -0.89 0.04 0.00 0.00 0.00 0.00 60.65 59.83 3cpf s ILE 72 Cb -0.03 -2.46 -0.00 0.00 0.01 0.00 0.00 42.46 39.97 3cpf s ILE 72 CO -0.06 0.26 -0.19 0.00 0.00 0.00 0.00 174.94 174.96 3cpf n PRO 74 N 3.28 2.34 -0.13 0.00 -0.02 -1.26 0.45 135.00 139.66 3cpf n PRO 74 Ca -0.19 0.84 0.13 0.00 -2.02 0.00 0.00 63.50 62.26 3cpf n PRO 74 Cb 0.53 -2.61 0.49 0.00 -0.02 0.00 0.00 33.50 31.88 3cpf n PRO 74 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3cpf h SER 75 N 5.75 0.41 0.17 2.55 4.64 -1.57 0.22 113.55 125.71 3cpf h SER 75 Ca -0.45 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3cpf h SER 75 Cb 1.24 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3cpf h SER 75 CO 0.88 0.23 -0.36 0.35 -0.87 0.00 0.00 176.83 177.05 3cpf n THR 76 N -4.48 0.00 -2.05 2.95 -2.24 -1.26 -0.95 114.28 106.25 3cpf n THR 76 Ca 0.12 -0.16 -0.32 0.00 -2.27 0.00 0.00 64.05 61.42 3cpf n THR 76 Cb 0.44 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.34 3cpf n THR 76 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3cpf s HIS 77 N -2.54 3.19 0.35 4.78 4.02 0.06 -4.77 115.29 120.38 3cpf s HIS 77 Ca 0.21 1.47 0.00 0.00 1.02 0.00 0.00 55.06 57.76 3cpf s HIS 77 Cb 0.19 -2.90 -0.03 0.00 -1.02 0.00 0.00 32.58 28.81 3cpf s HIS 77 CO 0.56 -0.89 0.56 -0.80 1.02 0.00 0.00 174.74 175.18 3cpf s ASN 78 N -3.14 6.28 0.08 1.40 0.01 -1.26 -0.90 114.94 117.41 3cpf s ASN 78 Ca 0.61 0.45 -0.01 0.00 -0.71 0.00 0.00 52.86 53.20 3cpf s ASN 78 Cb -0.14 -2.02 -0.04 0.00 0.41 0.00 0.00 41.25 39.47 3cpf s ASN 78 CO 0.40 -0.32 -0.00 -0.04 -1.51 0.00 0.00 177.10 175.63 3cpf s MET 79 N -4.34 0.74 0.05 -0.60 -1.94 0.12 -4.83 119.30 108.50 3cpf s MET 79 Ca 0.40 -1.31 -0.22 0.00 -1.71 0.00 0.00 55.69 52.86 3cpf s MET 79 Cb -0.10 0.19 -0.06 0.00 2.01 0.00 0.00 34.83 36.88 3cpf s MET 79 CO 0.36 -0.16 0.67 -0.51 -0.01 0.00 0.00 175.02 175.38 3cpf s ASP 80 N -2.97 7.12 -0.07 3.03 1.01 -1.26 0.12 116.67 123.66 3cpf s ASP 80 Ca 0.13 1.34 0.04 0.00 0.71 0.00 0.00 52.55 54.77 3cpf s ASP 80 Cb 0.08 -2.41 -0.02 0.00 1.01 0.00 0.00 42.92 41.57 3cpf s ASP 80 CO -0.06 0.12 -0.18 -0.69 0.21 0.00 0.00 175.17 174.58 3cpf s VAL 81 N -0.46 2.73 0.31 -1.27 1.01 0.13 -0.52 120.40 122.33 3cpf s VAL 81 Ca 0.34 -0.83 -0.28 0.00 0.00 0.00 0.00 61.98 61.21 3cpf s VAL 81 Cb -0.20 -2.06 -0.09 0.00 0.00 0.00 0.00 36.38 34.03 3cpf s VAL 81 CO 0.21 0.57 1.00 -2.16 0.00 0.00 0.00 175.10 174.72 3cpf s PRO 82 N -0.36 4.59 -0.75 2.72 0.04 -1.26 -1.06 135.00 138.92 3cpf s PRO 82 Ca 0.03 1.53 -0.22 0.00 0.04 0.00 0.00 61.00 62.38 3cpf s PRO 82 Cb -0.12 -2.97 0.08 0.00 0.04 0.00 0.00 34.50 31.52 3cpf s PRO 82 CO 0.02 0.24 1.07 1.21 0.04 0.00 0.00 177.00 179.58 3cpf s ASN 83 N -1.31 6.29 -0.15 6.66 3.84 0.06 -4.90 114.94 125.44 3cpf s ASN 83 Ca 0.48 -1.20 -0.18 0.00 0.21 0.00 0.00 52.86 52.17 3cpf s ASN 83 Cb -0.25 -2.44 -0.04 0.00 -0.55 0.00 0.00 41.25 37.97 3cpf s ASN 83 CO 0.31 -1.41 0.47 -0.63 -2.79 0.00 0.00 177.10 173.06 3cpf s ILE 84 N 4.02 5.17 0.01 -5.21 1.01 -1.26 -4.61 121.20 120.32 3cpf s ILE 84 Ca 0.28 0.92 -0.02 0.00 0.00 0.00 0.00 60.65 61.83 3cpf s ILE 84 Cb -0.12 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 3cpf s ILE 84 CO 0.05 0.28 0.17 -0.75 0.00 0.00 0.00 174.94 174.69 3cpf s LYS 85 N 0.95 3.37 -0.20 2.79 2.20 -0.45 -4.98 119.74 123.42 3cpf s LYS 85 Ca 0.24 -0.38 -0.04 0.00 -0.36 0.00 0.00 55.97 55.44 3cpf s LYS 85 Cb -0.15 -3.04 0.09 0.00 -1.51 0.00 0.00 37.83 33.22 3cpf s LYS 85 CO 0.10 0.66 0.24 1.03 -0.36 0.00 0.00 175.35 177.01 3cpf s ARG 86 N -2.03 0.20 0.11 4.03 0.52 -1.26 -1.31 118.95 119.21 3cpf s ARG 86 Ca 0.28 0.29 0.07 0.00 -0.52 0.00 0.00 55.73 55.85 3cpf s ARG 86 Cb -0.13 -1.01 -0.04 0.00 0.52 0.00 0.00 34.95 34.30 3cpf s ARG 86 CO 0.20 -0.62 -0.17 -0.80 0.02 0.00 0.00 175.30 173.94 3cpf s ASN 87 N 2.36 2.17 -0.19 0.23 -0.87 -0.69 -4.98 114.94 112.97 3cpf s ASN 87 Ca 0.07 -0.74 -0.04 0.00 -1.57 0.00 0.00 52.86 50.58 3cpf s ASN 87 Cb -0.15 -0.10 -0.02 0.00 -0.02 0.00 0.00 41.25 40.96 3cpf s ASN 87 CO -0.12 -0.06 -0.03 -1.81 -2.57 0.00 0.00 177.10 172.51 3cpf s ASP 88 N -2.18 4.60 0.28 -1.22 1.01 -1.26 -0.62 116.67 117.28 3cpf s ASP 88 Ca 0.07 -0.26 0.09 0.00 0.71 0.00 0.00 52.55 53.16 3cpf s ASP 88 Cb -0.08 -1.78 -0.04 0.00 1.01 0.00 0.00 42.92 42.04 3cpf s ASP 88 CO 0.04 0.06 0.01 -0.36 0.21 0.00 0.00 175.17 175.13 3cpf s PHE 89 N 1.00 2.68 -0.11 4.23 0.40 -0.20 -4.90 117.98 121.08 3cpf s PHE 89 Ca 0.01 -0.25 -0.14 0.00 -0.60 0.00 0.00 56.93 55.94 3cpf s PHE 89 Cb -0.15 -1.25 -0.05 0.00 0.51 0.00 0.00 43.02 42.09 3cpf s PHE 89 CO 0.01 0.59 0.35 -1.14 0.70 0.00 0.00 175.22 175.72 3cpf s GLN 90 N -3.69 4.15 -0.27 0.44 0.74 -0.35 -0.23 119.66 120.45 3cpf s GLN 90 Ca 0.32 0.22 -0.24 0.00 0.05 0.00 0.00 55.36 55.72 3cpf s GLN 90 Cb -0.06 -3.37 -0.00 0.00 1.10 0.00 0.00 33.01 30.68 3cpf s GLN 90 CO 0.20 0.36 0.79 -1.17 -0.55 0.00 0.00 175.29 174.92 3cpf s LEU 91 N 0.07 4.08 0.00 3.68 2.96 -0.60 0.15 118.68 129.01 3cpf s LEU 91 Ca 0.20 0.85 0.00 0.00 -0.22 0.00 0.00 54.13 54.96 3cpf s LEU 91 Cb -0.14 -3.11 0.00 0.00 0.50 0.00 0.00 46.19 43.44 3cpf s LEU 91 CO 0.07 -0.54 0.64 2.30 -1.32 0.00 0.00 176.35 177.50 3cpf n ILE 92 N 5.37 0.28 0.00 6.68 -5.35 -0.47 -4.60 119.36 121.27 3cpf n ILE 92 Ca 0.04 -0.64 0.00 0.00 -0.27 0.00 0.00 62.75 61.88 3cpf n ILE 92 Cb 0.48 0.86 0.00 0.00 -1.74 0.00 0.00 39.64 39.24 3cpf n ILE 92 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3cpf n GLY 93 N -0.14 1.34 3.05 3.28 0.00 -1.18 -4.97 105.19 106.57 3cpf n GLY 93 Ca 0.00 -0.55 -0.24 0.00 0.00 0.00 0.00 46.02 45.23 3cpf n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cpf s ILE 94 N -2.00 1.10 -0.19 -0.61 1.01 -1.26 -0.19 121.20 119.06 3cpf s ILE 94 Ca 0.00 -0.51 -0.10 0.00 0.00 0.00 0.00 60.65 60.04 3cpf s ILE 94 Cb 0.00 -0.98 0.06 0.00 0.01 0.00 0.00 42.46 41.56 3cpf s ILE 94 CO 0.00 0.33 0.46 -1.58 0.00 0.00 0.00 174.94 174.15 3cpf s GLN 95 N 0.29 0.44 -1.59 2.79 0.74 0.19 -4.91 119.66 117.62 3cpf s GLN 95 Ca -0.07 0.88 -0.15 0.00 0.05 0.00 0.00 55.36 56.06 3cpf s GLN 95 Cb -0.12 0.03 0.11 0.00 1.10 0.00 0.00 33.01 34.13 3cpf s GLN 95 CO 0.02 -0.16 0.93 -0.25 -0.55 0.00 0.00 175.29 175.28 3cpf n ASP 96 N 4.35 -4.40 0.00 6.67 8.00 -1.26 -0.38 116.55 129.53 3cpf n ASP 96 Ca -0.22 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.43 3cpf n ASP 96 Cb 0.55 -3.54 0.00 0.00 -0.02 0.00 0.00 41.12 38.11 3cpf n ASP 96 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3cpf n GLY 97 N -1.60 0.85 3.51 0.44 0.00 -1.26 -5.01 105.19 102.12 3cpf n GLY 97 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 3cpf n GLY 97 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3cpf s TYR 98 N -3.39 2.69 0.04 1.61 1.51 0.49 -0.90 117.35 119.40 3cpf s TYR 98 Ca 0.00 -0.17 -0.19 0.00 -1.01 0.00 0.00 57.07 55.70 3cpf s TYR 98 Cb 0.00 -1.52 -0.06 0.00 -0.11 0.00 0.00 41.96 40.27 3cpf s TYR 98 CO 0.00 0.30 0.56 -0.51 -1.11 0.00 0.00 175.55 174.79 3cpf s LEU 99 N -1.43 4.49 -0.38 -1.29 1.43 -0.30 -0.64 118.68 120.56 3cpf s LEU 99 Ca 0.16 1.20 -0.13 0.00 -1.03 0.00 0.00 54.13 54.33 3cpf s LEU 99 Cb -0.11 -2.87 0.01 0.00 0.03 0.00 0.00 46.19 43.25 3cpf s LEU 99 CO 0.06 0.23 0.25 -0.44 0.23 0.00 0.00 176.35 176.68 3cpf s SER 100 N -0.81 5.97 -0.11 2.29 0.01 0.73 -3.89 113.70 117.88 3cpf s SER 100 Ca 0.29 -0.78 0.03 0.00 1.31 0.00 0.00 55.95 56.81 3cpf s SER 100 Cb -0.19 -2.11 -0.00 0.00 0.21 0.00 0.00 66.02 63.93 3cpf s SER 100 CO 0.18 -0.36 -0.22 -0.76 0.41 0.00 0.00 173.24 172.48 3cpf s LEU 101 N 1.66 2.19 -0.13 2.44 1.43 0.13 -1.36 118.68 125.03 3cpf s LEU 101 Ca 0.05 -0.53 -0.04 0.00 -1.03 0.00 0.00 54.13 52.58 3cpf s LEU 101 Cb -0.18 -1.45 -0.03 0.00 0.03 0.00 0.00 46.19 44.56 3cpf s LEU 101 CO 0.09 0.15 -0.00 -0.22 0.23 0.00 0.00 176.35 176.59 3cpf s LEU 102 N 0.43 3.48 0.48 1.79 2.96 0.12 -0.46 118.68 127.48 3cpf s LEU 102 Ca -0.16 0.02 0.07 0.00 -0.22 0.00 0.00 54.13 53.84 3cpf s LEU 102 Cb -0.17 -1.83 0.03 0.00 0.50 0.00 0.00 46.19 44.72 3cpf s LEU 102 CO 0.07 0.25 0.66 -1.10 -1.32 0.00 0.00 176.35 174.90 3cpf s GLN 103 N -0.12 2.66 0.42 1.98 -0.21 -0.19 -1.21 119.66 122.98 3cpf s GLN 103 Ca 0.04 -1.22 0.11 0.00 0.02 0.00 0.00 55.36 54.31 3cpf s GLN 103 Cb -0.13 -2.68 0.90 0.00 1.00 0.00 0.00 33.01 32.10 3cpf s GLN 103 CO 0.02 -0.48 1.97 -0.44 -2.12 0.00 0.00 175.29 174.24 3cpf h ASP 104 N 0.43 0.16 0.61 5.90 3.32 -1.93 -2.44 116.42 122.47 3cpf h ASP 104 Ca -0.39 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.64 3cpf h ASP 104 Cb 1.28 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3cpf h ASP 104 CO 0.45 0.29 0.00 -1.54 -1.72 0.00 0.00 179.24 176.72 3cpf n SER 105 N -4.33 0.37 0.00 6.45 3.41 -1.26 -4.83 113.62 113.43 3cpf n SER 105 Ca -0.01 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 3cpf n SER 105 Cb 0.23 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 3cpf n SER 105 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cpf n GLY 106 N -0.03 1.25 3.76 5.00 0.00 -0.92 -5.04 105.19 109.20 3cpf n GLY 106 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3cpf n GLY 106 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3cpf s GLU 107 N -0.64 4.39 -0.11 1.61 2.12 -1.26 -4.75 118.70 120.07 3cpf s GLU 107 Ca 0.00 2.13 0.00 0.00 0.36 0.00 0.00 54.97 57.46 3cpf s GLU 107 Cb 0.00 -3.12 -0.02 0.00 0.26 0.00 0.00 34.13 31.24 3cpf s GLU 107 CO 0.00 -0.17 -0.11 0.08 -0.54 0.00 0.00 175.26 174.52 3cpf s VAL 108 N -0.69 3.32 -0.02 3.70 1.01 -1.26 -1.03 120.40 125.43 3cpf s VAL 108 Ca 0.51 -0.59 0.08 0.00 0.00 0.00 0.00 61.98 61.98 3cpf s VAL 108 Cb -0.38 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 3cpf s VAL 108 CO 0.46 0.55 -0.26 0.00 0.00 0.00 0.00 175.10 175.85 3cpf s ARG 109 N -0.08 2.13 -0.13 2.72 1.70 0.40 -4.93 118.95 120.75 3cpf s ARG 109 Ca -0.01 -0.93 0.15 0.00 -0.47 0.00 0.00 55.73 54.47 3cpf s ARG 109 Cb -0.14 -2.05 0.31 0.00 -0.57 0.00 0.00 34.95 32.51 3cpf s ARG 109 CO 0.03 0.55 1.16 0.39 -1.08 0.00 0.00 175.30 176.35 3cpf n GLU 110 N 2.46 1.12 0.01 3.89 1.02 -1.25 -0.69 120.64 127.19 3cpf n GLU 110 Ca -0.16 -2.57 0.11 0.00 -0.02 0.00 0.00 57.16 54.51 3cpf n GLU 110 Cb 0.51 -1.30 -0.07 0.00 -0.02 0.00 0.00 31.44 30.57 3cpf n GLU 110 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3cpf n ASP 111 N -1.01 0.66 -4.67 1.62 5.75 -1.26 -4.59 116.55 113.05 3cpf n ASP 111 Ca 0.14 -0.53 -0.39 0.00 -0.01 0.00 0.00 54.79 54.01 3cpf n ASP 111 Cb 0.70 1.10 -0.07 0.00 -1.03 0.00 0.00 41.12 41.82 3cpf n ASP 111 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3cpf s LEU 112 N -3.57 4.15 0.44 -2.12 1.43 -1.26 -4.98 118.68 112.77 3cpf s LEU 112 Ca 0.04 0.66 -0.24 0.00 -1.03 0.00 0.00 54.13 53.56 3cpf s LEU 112 Cb 0.15 -2.69 -0.08 0.00 0.03 0.00 0.00 46.19 43.61 3cpf s LEU 112 CO 0.85 -0.16 1.20 -0.60 0.23 0.00 0.00 176.35 177.86 3cpf s ARG 113 N 1.56 3.85 0.01 1.70 3.52 -1.26 -1.15 118.95 127.16 3cpf s ARG 113 Ca 0.24 1.87 -0.33 0.00 -0.13 0.00 0.00 55.73 57.37 3cpf s ARG 113 Cb -0.15 -2.53 -0.12 0.00 -1.56 0.00 0.00 34.95 30.58 3cpf s ARG 113 CO 0.09 -0.50 1.81 -0.11 -0.81 0.00 0.00 175.30 175.78 3cpf n LEU 114 N -0.25 3.48 -4.42 -0.88 7.94 -0.07 -4.65 117.00 118.15 3cpf n LEU 114 Ca 0.06 1.00 -0.38 0.00 -1.11 0.00 0.00 56.01 55.57 3cpf n LEU 114 Cb 0.47 -1.42 0.03 0.00 0.53 0.00 0.00 43.42 43.04 3cpf n LEU 114 CO 0.50 -0.07 -0.09 -2.65 -1.11 0.00 0.00 177.39 173.97 3cpf n PRO 115 N 5.82 0.39 -1.66 1.96 -0.02 -1.26 -4.95 135.00 135.28 3cpf n PRO 115 Ca 0.21 0.15 -0.31 0.00 -2.02 0.00 0.00 63.50 61.53 3cpf n PRO 115 Cb 0.31 -1.57 0.04 0.00 -0.02 0.00 0.00 33.50 32.27 3cpf n PRO 115 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3cpf s GLU 116 N -1.93 3.02 5.37 -0.52 0.41 -1.26 -3.19 118.70 120.60 3cpf s GLU 116 Ca 0.66 0.85 0.00 0.00 -0.41 0.00 0.00 54.97 56.07 3cpf s GLU 116 Cb -0.44 -2.01 0.00 0.00 -1.78 0.00 0.00 34.13 29.90 3cpf s GLU 116 CO 0.57 -1.02 0.00 0.41 -0.49 0.00 0.00 175.26 174.74 3cpf n GLY 117 N -2.24 2.62 0.38 -1.39 0.00 -1.26 -3.09 105.19 100.21 3cpf n GLY 117 Ca 0.07 -0.39 -0.02 0.00 0.00 0.00 0.00 46.02 45.68 3cpf n GLY 117 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3cpf h ASP 118 N 9.30 1.12 -0.59 1.61 5.19 -1.99 -1.66 116.42 129.40 3cpf h ASP 118 Ca 0.00 -0.03 0.01 0.00 -0.62 0.00 0.00 57.03 56.38 3cpf h ASP 118 Cb 0.00 -0.28 -0.03 0.00 0.18 0.00 0.00 39.33 39.20 3cpf h ASP 118 CO 0.00 0.82 0.39 0.25 -3.12 0.00 0.00 179.24 177.58 3cpf h LEU 119 N 1.32 0.68 -0.37 1.55 5.85 -1.88 0.22 115.31 122.68 3cpf h LEU 119 Ca 0.36 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 59.03 3cpf h LEU 119 Cb -0.15 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.70 3cpf h LEU 119 CO -0.08 0.49 0.13 1.23 -0.34 0.00 0.00 178.44 179.88 3cpf h GLY 120 N 0.81 0.61 1.04 3.75 0.00 -1.35 0.05 103.07 107.97 3cpf h GLY 120 Ca 0.22 -0.35 -0.05 0.00 0.00 0.00 0.00 47.33 47.15 3cpf h GLY 120 CO -0.05 0.33 0.22 0.50 0.00 0.00 0.00 176.54 177.54 3cpf h LYS 121 N 0.45 1.08 -0.56 4.80 1.57 -0.79 -1.52 116.57 121.60 3cpf h LYS 121 Ca 0.12 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3cpf h LYS 121 Cb 0.22 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 3cpf h LYS 121 CO -0.01 0.93 0.34 1.49 -0.57 0.00 0.00 179.45 181.64 3cpf h GLU 122 N 1.02 0.76 -0.63 3.15 4.81 -0.32 -0.38 114.58 123.00 3cpf h GLU 122 Ca 0.23 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.33 3cpf h GLU 122 Cb 0.29 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 3cpf h GLU 122 CO -0.01 0.55 0.17 0.82 -0.73 0.00 0.00 179.01 179.80 3cpf h ILE 123 N 0.76 1.25 -0.18 2.32 2.04 -0.61 -1.43 117.51 121.65 3cpf h ILE 123 Ca 0.20 -0.90 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 3cpf h ILE 123 Cb -0.02 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 3cpf h ILE 123 CO -0.04 0.34 -0.02 -0.33 0.00 0.00 0.00 178.15 178.10 3cpf h GLU 124 N 0.91 0.34 -0.39 2.37 5.08 -1.03 -1.23 114.58 120.63 3cpf h GLU 124 Ca 0.20 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3cpf h GLU 124 Cb 0.34 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3cpf h GLU 124 CO -0.00 0.57 0.26 1.96 -1.00 0.00 0.00 179.01 180.79 3cpf h GLN 125 N 0.07 0.51 0.00 2.33 4.20 -0.94 0.16 115.11 121.44 3cpf h GLN 125 Ca 0.05 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.66 3cpf h GLN 125 Cb 0.42 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 3cpf h GLN 125 CO 0.01 0.34 -0.35 0.87 -0.67 0.00 0.00 178.83 179.03 3cpf h LYS 126 N 0.52 0.00 0.02 1.46 1.57 -1.24 -1.30 116.57 117.61 3cpf h LYS 126 Ca 0.14 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.79 3cpf h LYS 126 Cb -0.05 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.27 3cpf h LYS 126 CO -0.04 0.35 -0.54 -0.92 -0.57 0.00 0.00 179.45 177.73 3cpf h TYR 127 N 0.00 0.51 0.00 -1.35 3.20 -0.64 -2.86 116.97 115.82 3cpf h TYR 127 Ca -0.00 -0.29 -0.00 0.00 3.14 0.00 0.00 58.73 61.57 3cpf h TYR 127 Cb 0.93 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 39.14 3cpf h TYR 127 CO 0.00 1.12 -0.01 -0.44 -1.64 0.00 0.00 178.16 177.19 3cpf h ASP 128 N -0.25 0.00 -0.48 -2.11 3.32 -0.46 -2.06 116.42 114.38 3cpf h ASP 128 Ca -0.07 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.92 3cpf h ASP 128 Cb 1.29 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.81 3cpf h ASP 128 CO 0.11 0.01 0.12 0.00 -1.72 0.00 0.00 179.24 177.76 3cpf n GLY 130 N -0.83 0.89 3.77 0.00 0.00 -0.78 -5.09 105.19 103.16 3cpf n GLY 130 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 3cpf n GLY 130 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3cpf s GLU 131 N -0.71 4.60 -0.35 1.61 2.12 -1.09 -4.98 118.70 119.90 3cpf s GLU 131 Ca 0.00 1.49 -0.29 0.00 0.36 0.00 0.00 54.97 56.53 3cpf s GLU 131 Cb 0.00 -2.96 0.01 0.00 0.26 0.00 0.00 34.13 31.44 3cpf s GLU 131 CO 0.00 0.26 1.34 -1.83 -0.54 0.00 0.00 175.26 174.49 3cpf s GLU 132 N -1.78 3.78 -0.06 4.30 4.04 -1.26 -4.72 118.70 122.99 3cpf s GLU 132 Ca 0.48 1.10 0.05 0.00 0.04 0.00 0.00 54.97 56.63 3cpf s GLU 132 Cb -0.24 -3.94 -0.02 0.00 0.02 0.00 0.00 34.13 29.96 3cpf s GLU 132 CO 0.30 -1.30 -0.19 0.42 -1.84 0.00 0.00 175.26 172.64 3cpf s ILE 133 N 4.78 2.61 -0.09 1.83 -1.09 -1.26 -5.03 121.20 122.95 3cpf s ILE 133 Ca 0.58 -0.88 -0.00 0.00 -2.23 0.00 0.00 60.65 58.12 3cpf s ILE 133 Cb -0.15 -2.00 -0.03 0.00 -1.58 0.00 0.00 42.46 38.71 3cpf s ILE 133 CO 0.27 0.57 -0.07 -0.76 -1.23 0.00 0.00 174.94 173.73 3cpf s LEU 134 N -0.41 3.16 -0.14 2.97 1.43 -1.18 -1.56 118.68 122.95 3cpf s LEU 134 Ca 0.04 -0.06 -0.00 0.00 -1.03 0.00 0.00 54.13 53.08 3cpf s LEU 134 Cb -0.12 -1.70 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 3cpf s LEU 134 CO 0.02 0.31 -0.12 -0.63 0.23 0.00 0.00 176.35 176.15 3cpf s ILE 135 N -0.50 3.03 -0.20 -0.59 -1.09 0.68 -1.24 121.20 121.28 3cpf s ILE 135 Ca 0.07 -0.66 -0.25 0.00 -2.23 0.00 0.00 60.65 57.58 3cpf s ILE 135 Cb -0.12 -2.29 -0.01 0.00 -1.58 0.00 0.00 42.46 38.47 3cpf s ILE 135 CO 0.02 0.51 0.84 -0.89 -1.23 0.00 0.00 174.94 174.20 3cpf s THR 136 N 0.53 4.85 -0.11 2.92 2.01 -0.40 -1.03 115.64 124.41 3cpf s THR 136 Ca -0.08 1.63 -0.05 0.00 0.31 0.00 0.00 61.69 63.50 3cpf s THR 136 Cb -0.16 -4.14 -0.04 0.00 0.01 0.00 0.00 72.50 68.18 3cpf s THR 136 CO 0.04 -0.03 0.08 -0.69 -0.69 0.00 0.00 174.62 173.33 3cpf s VAL 137 N 2.49 5.02 -0.09 3.82 1.01 0.21 0.09 120.40 132.96 3cpf s VAL 137 Ca 0.37 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.40 3cpf s VAL 137 Cb -0.16 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.07 3cpf s VAL 137 CO 0.10 0.60 -0.16 -0.22 0.00 0.00 0.00 175.10 175.43 3cpf s LEU 138 N -0.89 1.77 -0.08 3.92 2.96 0.28 -1.70 118.68 124.93 3cpf s LEU 138 Ca 0.14 -0.41 0.02 0.00 -0.22 0.00 0.00 54.13 53.66 3cpf s LEU 138 Cb -0.12 -1.07 -0.02 0.00 0.50 0.00 0.00 46.19 45.49 3cpf s LEU 138 CO 0.03 0.05 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.53 3cpf s SER 139 N 0.76 4.00 -0.20 3.68 0.01 -0.43 -1.89 113.70 119.64 3cpf s SER 139 Ca -0.11 -0.25 -0.13 0.00 1.31 0.00 0.00 55.95 56.76 3cpf s SER 139 Cb -0.16 -1.15 0.06 0.00 0.21 0.00 0.00 66.02 64.98 3cpf s SER 139 CO 0.02 0.27 0.49 0.00 0.41 0.00 0.00 173.24 174.43 3cpf s ALA 140 N -0.29 -1.27 0.00 1.44 0.00 0.87 -1.35 121.76 121.17 3cpf s ALA 140 Ca 0.02 1.68 0.00 0.00 0.00 0.00 0.00 51.96 53.66 3cpf s ALA 140 Cb -0.13 -1.00 0.00 0.00 0.00 0.00 0.00 23.12 21.99 3cpf s ALA 140 CO 0.03 -0.28 0.00 -1.33 0.00 0.00 0.00 175.76 174.18 3cpf n MET 141 N 3.87 0.00 -0.26 0.00 2.81 -1.26 -1.44 117.12 120.84 3cpf n MET 141 Ca -0.20 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 55.75 3cpf n MET 141 Cb 0.56 0.00 0.18 0.00 -0.71 0.00 0.00 33.22 33.25 3cpf n MET 141 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3cpf n THR 142 N 0.00 0.73 -4.45 2.03 -2.24 -1.26 -4.92 114.28 104.17 3cpf n THR 142 Ca 0.00 -0.56 -0.31 0.00 -2.27 0.00 0.00 64.05 60.91 3cpf n THR 142 Cb 0.00 0.09 -0.11 0.00 -2.10 0.00 0.00 70.33 68.21 3cpf n THR 142 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3cpf s GLU 143 N -1.60 2.28 -0.15 -0.78 2.12 -0.52 -5.12 118.70 114.93 3cpf s GLU 143 Ca 0.26 -0.89 -0.13 0.00 0.36 0.00 0.00 54.97 54.57 3cpf s GLU 143 Cb 0.15 -2.35 0.04 0.00 0.26 0.00 0.00 34.13 32.24 3cpf s GLU 143 CO 0.15 0.55 0.40 -2.00 -0.54 0.00 0.00 175.26 173.82 3cpf s GLU 144 N -1.66 0.45 0.25 4.30 2.12 -1.26 -0.09 118.70 122.81 3cpf s GLU 144 Ca 0.18 0.59 -0.15 0.00 0.36 0.00 0.00 54.97 55.94 3cpf s GLU 144 Cb -0.11 0.19 0.00 0.00 0.26 0.00 0.00 34.13 34.47 3cpf s GLU 144 CO 0.09 -0.07 0.54 0.00 -0.54 0.00 0.00 175.26 175.27 3cpf s ALA 145 N 0.39 -0.51 -0.14 6.30 0.00 -0.79 -5.00 121.76 122.00 3cpf s ALA 145 Ca -0.01 -0.71 -0.18 0.00 0.00 0.00 0.00 51.96 51.05 3cpf s ALA 145 Cb -0.04 1.00 -0.04 0.00 0.00 0.00 0.00 23.12 24.05 3cpf s ALA 145 CO -0.01 -0.90 0.50 0.00 0.00 0.00 0.00 175.76 175.35 3cpf s ALA 146 N -3.99 3.49 0.00 0.00 0.00 -1.26 -0.56 121.76 119.45 3cpf s ALA 146 Ca 0.19 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.90 3cpf s ALA 146 Cb -0.02 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.39 3cpf s ALA 146 CO 0.08 -0.14 0.05 1.33 0.00 0.00 0.00 175.76 177.08 3cpf n VAL 147 N 3.96 0.00 -3.71 0.00 0.24 0.11 -4.67 118.33 114.25 3cpf n VAL 147 Ca -0.06 -0.33 -0.07 0.00 -2.04 0.00 0.00 64.34 61.83 3cpf n VAL 147 Cb 0.51 1.05 -0.02 0.00 -1.47 0.00 0.00 33.84 33.92 3cpf n VAL 147 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3cpf s ALA 148 N -0.55 -1.44 0.14 2.33 0.00 -1.20 -4.98 121.76 116.05 3cpf s ALA 148 Ca 0.00 0.06 0.08 0.00 0.00 0.00 0.00 51.96 52.10 3cpf s ALA 148 Cb 0.00 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 23.86 3cpf s ALA 148 CO 0.00 -0.95 -0.17 -1.50 0.00 0.00 0.00 175.76 173.13 3cpf s ILE 149 N -3.68 1.67 0.00 0.00 2.07 -1.26 -1.27 121.20 118.72 3cpf s ILE 149 Ca 0.09 -1.81 0.00 0.00 -1.41 0.00 0.00 60.65 57.52 3cpf s ILE 149 Cb -0.04 -1.72 0.00 0.00 0.13 0.00 0.00 42.46 40.84 3cpf s ILE 149 CO 0.00 -0.31 0.04 0.29 -1.91 0.00 0.00 174.94 173.06