#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tpf s SER 2 N 0.00 4.21 0.29 6.12 0.15 -1.26 -5.01 113.70 118.19 1tpf s SER 2 Ca 0.00 0.04 -0.28 0.00 0.70 0.00 0.00 55.95 56.41 1tpf s SER 2 Cb 0.00 -0.43 -0.09 0.00 -1.71 0.00 0.00 66.02 63.78 1tpf s SER 2 CO 0.00 -1.97 0.97 -0.54 1.20 0.00 0.00 173.24 172.89 1tpf s LYS 3 N -5.34 4.69 1.08 5.44 1.02 -1.26 -5.02 119.74 120.35 1tpf s LYS 3 Ca 0.66 1.47 -0.17 0.00 0.02 0.00 0.00 55.97 57.95 1tpf s LYS 3 Cb -0.07 -3.05 0.23 0.00 -0.52 0.00 0.00 37.83 34.43 1tpf s LYS 3 CO 0.46 0.35 1.16 -1.25 -0.92 0.00 0.00 175.35 175.15 1tpf s PRO 4 N -1.62 -0.29 0.11 -1.68 0.04 -1.26 -4.91 135.00 125.40 1tpf s PRO 4 Ca 0.46 -0.03 -0.31 0.00 0.04 0.00 0.00 61.00 61.16 1tpf s PRO 4 Cb -0.24 -1.70 -0.10 0.00 0.04 0.00 0.00 34.50 32.50 1tpf s PRO 4 CO 0.30 -3.10 1.86 0.94 0.04 0.00 0.00 177.00 177.04 1tpf n GLN 5 N -4.33 2.83 -1.55 4.56 7.27 -1.26 -4.95 117.38 119.95 1tpf n GLN 5 Ca 0.12 1.03 -0.30 0.00 0.07 0.00 0.00 57.00 57.92 1tpf n GLN 5 Cb 0.59 -2.94 0.09 0.00 2.41 0.00 0.00 30.24 30.39 1tpf n GLN 5 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1tpf s PRO 6 N 2.98 2.17 -0.03 3.69 0.04 -1.26 -4.88 135.00 137.71 1tpf s PRO 6 Ca 0.83 0.68 0.01 0.00 0.04 0.00 0.00 61.00 62.56 1tpf s PRO 6 Cb -0.47 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.16 1tpf s PRO 6 CO 0.38 -1.57 -0.05 0.42 0.04 0.00 0.00 177.00 176.21 1tpf s ILE 7 N -3.14 0.52 -0.35 0.56 1.01 -0.79 -1.37 121.20 117.64 1tpf s ILE 7 Ca 0.60 -0.18 0.02 0.00 0.00 0.00 0.00 60.65 61.09 1tpf s ILE 7 Cb -0.14 -0.50 0.10 0.00 0.01 0.00 0.00 42.46 41.92 1tpf s ILE 7 CO 0.54 0.19 0.08 0.00 0.00 0.00 0.00 174.94 175.75 1tpf s ALA 8 N 0.46 2.94 -0.18 9.38 0.00 -0.19 -1.10 121.76 133.07 1tpf s ALA 8 Ca -0.06 -2.43 -0.07 0.00 0.00 0.00 0.00 51.96 49.41 1tpf s ALA 8 Cb -0.10 -2.06 -0.04 0.00 0.00 0.00 0.00 23.12 20.93 1tpf s ALA 8 CO -0.00 -1.65 0.05 0.00 0.00 0.00 0.00 175.76 174.15 1tpf s ALA 9 N 1.01 3.34 -0.24 0.00 0.00 0.26 -1.07 121.76 125.06 1tpf s ALA 9 Ca 0.08 -0.75 -0.15 0.00 0.00 0.00 0.00 51.96 51.13 1tpf s ALA 9 Cb -0.20 -1.86 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 1tpf s ALA 9 CO -0.06 0.19 0.35 0.00 0.00 0.00 0.00 175.76 176.24 1tpf s ALA 10 N 0.36 3.57 -0.49 0.00 0.00 0.24 -0.66 121.76 124.78 1tpf s ALA 10 Ca 0.02 -0.72 -0.08 0.00 0.00 0.00 0.00 51.96 51.18 1tpf s ALA 10 Cb -0.13 -2.62 0.13 0.00 0.00 0.00 0.00 23.12 20.50 1tpf s ALA 10 CO 0.01 -0.46 0.35 1.21 0.00 0.00 0.00 175.76 176.86 1tpf s ASN 11 N 1.34 5.63 0.25 0.00 2.47 0.70 -0.12 114.94 125.20 1tpf s ASN 11 Ca 0.15 -2.06 0.24 0.00 0.42 0.00 0.00 52.86 51.62 1tpf s ASN 11 Cb -0.15 -1.97 0.95 0.00 -1.45 0.00 0.00 41.25 38.63 1tpf s ASN 11 CO 0.08 -0.63 1.73 0.79 -3.72 0.00 0.00 177.10 175.35 1tpf n TRP 12 N 4.68 0.84 -4.93 0.43 8.01 -0.80 -4.44 117.44 121.23 1tpf n TRP 12 Ca -0.04 0.31 0.00 0.00 -1.31 0.00 0.00 57.50 56.46 1tpf n TRP 12 Cb 0.41 -1.00 0.00 0.00 -2.01 0.00 0.00 31.31 28.70 1tpf n TRP 12 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1tpf n LYS 13 N -2.25 0.00 -2.31 -0.99 5.02 -1.26 -3.36 118.16 113.01 1tpf n LYS 13 Ca 0.03 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.90 1tpf n LYS 13 Cb 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.28 1tpf n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1tpf s ASN 15 N 0.64 -0.07 0.00 0.00 0.01 -1.21 -5.14 114.94 109.16 1tpf s ASN 15 Ca 0.41 -0.95 0.00 0.00 -0.71 0.00 0.00 52.86 51.61 1tpf s ASN 15 Cb 0.11 0.56 0.00 0.00 0.41 0.00 0.00 41.25 42.32 1tpf s ASN 15 CO -0.00 -1.09 0.00 0.61 -1.51 0.00 0.00 177.10 175.10 1tpf n GLY 16 N -0.36 3.32 3.27 0.66 0.00 -1.26 -4.71 105.19 106.11 1tpf n GLY 16 Ca -0.02 -1.74 -0.17 0.00 0.00 0.00 0.00 46.02 44.09 1tpf n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1tpf s SER 17 N 0.00 2.07 0.26 1.61 1.04 -1.26 -5.00 113.70 112.41 1tpf s SER 17 Ca 0.00 -0.92 -0.05 0.00 0.48 0.00 0.00 55.95 55.46 1tpf s SER 17 Cb 0.00 -0.07 0.30 0.00 0.10 0.00 0.00 66.02 66.35 1tpf s SER 17 CO 0.00 -0.20 1.90 1.56 0.98 0.00 0.00 173.24 177.48 1tpf h GLN 18 N 3.08 1.21 0.24 4.02 4.20 -2.00 -1.68 115.11 124.18 1tpf h GLN 18 Ca -0.38 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.20 1tpf h GLN 18 Cb 1.20 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.73 1tpf h GLN 18 CO 0.57 0.85 -0.12 0.37 -0.67 0.00 0.00 178.83 179.83 1tpf h GLN 19 N 1.23 -0.32 -0.42 1.46 4.15 -1.99 -1.59 115.11 117.63 1tpf h GLN 19 Ca 0.32 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.76 1tpf h GLN 19 Cb -0.04 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 1tpf h GLN 19 CO -0.06 -0.06 0.26 0.66 -1.93 0.00 0.00 178.83 177.71 1tpf h SER 20 N -0.54 0.49 0.05 -0.69 4.64 -1.95 -2.33 113.55 113.22 1tpf h SER 20 Ca -0.03 -0.03 -0.10 0.00 -0.47 0.00 0.00 61.79 61.16 1tpf h SER 20 Cb 0.40 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 1tpf h SER 20 CO 0.05 0.38 -0.31 -0.07 -0.87 0.00 0.00 176.83 176.02 1tpf h LEU 21 N 0.56 0.39 -0.60 5.97 3.38 -1.34 -2.51 115.31 121.15 1tpf h LEU 21 Ca 0.15 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1tpf h LEU 21 Cb -0.03 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1tpf h LEU 21 CO -0.03 0.68 0.30 0.28 0.09 0.00 0.00 178.44 179.76 1tpf h SER 22 N 0.33 0.77 -0.56 -0.43 0.02 -0.92 0.42 113.55 113.20 1tpf h SER 22 Ca 0.04 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 60.84 1tpf h SER 22 Cb 0.71 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 1tpf h SER 22 CO 0.05 0.67 0.22 -0.33 -1.14 0.00 0.00 176.83 176.31 1tpf h GLU 23 N 0.82 0.83 -0.55 3.45 5.08 -1.28 -0.31 114.58 122.61 1tpf h GLU 23 Ca 0.21 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1tpf h GLU 23 Cb 0.09 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1tpf h GLU 23 CO -0.03 0.72 0.18 1.25 -1.00 0.00 0.00 179.01 180.14 1tpf h LEU 24 N 0.76 0.80 -1.01 1.33 6.46 -1.14 -1.40 115.31 121.11 1tpf h LEU 24 Ca 0.19 -0.20 -0.10 0.00 -0.12 0.00 0.00 57.88 57.65 1tpf h LEU 24 Cb 0.20 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 39.91 1tpf h LEU 24 CO -0.02 0.78 -0.36 0.40 -0.62 0.00 0.00 178.44 178.63 1tpf h ILE 25 N 0.77 1.29 -0.38 4.05 2.04 -0.69 -1.46 117.51 123.11 1tpf h ILE 25 Ca 0.18 -1.40 -0.01 0.00 1.00 0.00 0.00 64.86 64.63 1tpf h ILE 25 Cb 0.26 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 1tpf h ILE 25 CO -0.01 0.42 0.20 0.44 0.00 0.00 0.00 178.15 179.20 1tpf h ASP 26 N 0.21 0.49 0.14 1.72 3.32 -0.51 -0.51 116.42 121.28 1tpf h ASP 26 Ca 0.02 -0.11 0.02 0.00 0.02 0.00 0.00 57.03 56.99 1tpf h ASP 26 Cb 0.74 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.12 1tpf h ASP 26 CO 0.06 0.46 -0.40 0.25 -1.72 0.00 0.00 179.24 177.88 1tpf h LEU 27 N 0.49 -1.17 -1.27 1.55 5.85 -0.89 -2.33 115.31 117.55 1tpf h LEU 27 Ca 0.13 0.13 0.11 0.00 0.84 0.00 0.00 57.88 59.09 1tpf h LEU 27 Cb 0.09 0.44 -0.06 0.00 0.37 0.00 0.00 40.66 41.49 1tpf h LEU 27 CO -0.02 -0.48 0.56 -0.26 -0.34 0.00 0.00 178.44 177.90 1tpf h PHE 28 N -0.64 0.86 0.00 1.25 0.04 -1.09 -1.40 116.94 115.96 1tpf h PHE 28 Ca 0.02 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.78 1tpf h PHE 28 Cb 0.67 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.53 1tpf h PHE 28 CO -0.34 0.37 -0.18 -0.91 -0.60 0.00 0.00 178.31 176.65 1tpf h ASN 29 N 0.78 0.00 -0.55 2.17 2.35 -0.57 -2.93 115.58 116.82 1tpf h ASN 29 Ca 0.41 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.16 1tpf h ASN 29 Cb 0.52 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.89 1tpf h ASN 29 CO -0.18 0.18 0.00 -1.20 -1.65 0.00 0.00 177.43 174.58 1tpf n SER 30 N -3.33 3.03 -4.81 5.81 7.64 -0.55 -4.82 113.62 116.60 1tpf n SER 30 Ca 0.00 -2.03 -0.36 0.00 1.01 0.00 0.00 58.87 57.49 1tpf n SER 30 Cb 0.42 -0.38 -0.07 0.00 -1.01 0.00 0.00 64.21 63.17 1tpf n SER 30 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1tpf s THR 31 N -1.31 5.42 -0.18 0.44 2.01 -1.10 -5.06 115.64 115.87 1tpf s THR 31 Ca 0.37 0.27 -0.21 0.00 0.31 0.00 0.00 61.69 62.44 1tpf s THR 31 Cb 0.20 -3.47 -0.03 0.00 0.01 0.00 0.00 72.50 69.21 1tpf s THR 31 CO 0.25 0.53 0.61 -0.55 -0.69 0.00 0.00 174.62 174.77 1tpf s SER 32 N -0.36 6.71 -0.25 3.53 0.15 -1.26 -5.02 113.70 117.19 1tpf s SER 32 Ca 0.13 0.85 0.03 0.00 0.70 0.00 0.00 55.95 57.66 1tpf s SER 32 Cb -0.12 -2.34 0.06 0.00 -1.71 0.00 0.00 66.02 61.90 1tpf s SER 32 CO 0.02 -0.23 -0.11 -0.63 1.20 0.00 0.00 173.24 173.50 1tpf s ILE 33 N 1.66 2.09 0.09 6.45 1.01 -1.26 -5.01 121.20 126.23 1tpf s ILE 33 Ca 0.29 -1.53 -0.03 0.00 0.00 0.00 0.00 60.65 59.38 1tpf s ILE 33 Cb -0.16 -2.19 -0.27 0.00 0.01 0.00 0.00 42.46 39.85 1tpf s ILE 33 CO 0.11 0.01 1.17 0.78 0.00 0.00 0.00 174.94 177.02 1tpf h ASN 34 N 7.80 0.37 -1.34 3.58 4.21 -2.00 -3.48 115.58 124.73 1tpf h ASN 34 Ca -0.21 -0.39 -0.48 0.00 1.21 0.00 0.00 56.30 56.43 1tpf h ASN 34 Cb 1.05 -0.12 0.05 0.00 -1.12 0.00 0.00 38.32 38.18 1tpf h ASN 34 CO 0.47 1.29 -0.04 -1.38 -1.29 0.00 0.00 177.43 176.49 1tpf s HIS 35 N -2.71 1.59 -0.51 1.19 -3.43 -1.26 -5.02 115.29 105.14 1tpf s HIS 35 Ca -0.03 -0.53 -0.28 0.00 -0.80 0.00 0.00 55.06 53.41 1tpf s HIS 35 Cb 0.08 -2.51 0.00 0.00 -1.43 0.00 0.00 32.58 28.73 1tpf s HIS 35 CO 0.87 -1.29 1.51 0.34 -2.00 0.00 0.00 174.74 174.17 1tpf s ASP 36 N -4.66 6.03 -0.16 7.38 2.15 -1.26 -4.96 116.67 121.19 1tpf s ASP 36 Ca 0.63 0.50 -0.12 0.00 0.43 0.00 0.00 52.55 53.99 1tpf s ASP 36 Cb -0.06 -2.54 0.05 0.00 -0.30 0.00 0.00 42.92 40.07 1tpf s ASP 36 CO 0.40 -1.74 0.40 0.54 -0.17 0.00 0.00 175.17 174.60 1tpf s VAL 37 N 6.42 -0.01 -0.32 1.11 0.11 -1.26 -4.35 120.40 122.09 1tpf s VAL 37 Ca 0.59 0.03 -0.18 0.00 -2.93 0.00 0.00 61.98 59.49 1tpf s VAL 37 Cb -0.13 -0.58 -0.01 0.00 -1.53 0.00 0.00 36.38 34.13 1tpf s VAL 37 CO 0.27 0.01 0.52 -1.58 -3.33 0.00 0.00 175.10 170.99 1tpf s GLN 38 N 0.60 3.77 -0.14 1.54 2.00 -0.47 -4.91 119.66 122.04 1tpf s GLN 38 Ca -0.03 -0.00 -0.08 0.00 -2.00 0.00 0.00 55.36 53.25 1tpf s GLN 38 Cb -0.05 -3.76 -0.04 0.00 0.80 0.00 0.00 33.01 29.96 1tpf s GLN 38 CO -0.04 -0.56 0.14 0.00 -0.50 0.00 0.00 175.29 174.33 1tpf s VAL 40 N -0.60 1.11 -0.18 0.00 1.01 -0.23 -1.37 120.40 120.14 1tpf s VAL 40 Ca 0.13 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.56 1tpf s VAL 40 Cb -0.12 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.33 1tpf s VAL 40 CO 0.02 0.33 -0.18 -0.69 0.00 0.00 0.00 175.10 174.58 1tpf s VAL 41 N 0.02 1.95 -0.46 2.92 1.01 -0.41 0.79 120.40 126.22 1tpf s VAL 41 Ca -0.01 -0.90 -0.09 0.00 0.00 0.00 0.00 61.98 60.98 1tpf s VAL 41 Cb -0.09 -1.79 0.11 0.00 0.00 0.00 0.00 36.38 34.61 1tpf s VAL 41 CO 0.01 0.49 0.32 0.00 0.00 0.00 0.00 175.10 175.92 1tpf s ALA 42 N 1.33 3.35 0.51 5.51 0.00 0.82 -0.48 121.76 132.81 1tpf s ALA 42 Ca 0.04 -2.45 0.08 0.00 0.00 0.00 0.00 51.96 49.64 1tpf s ALA 42 Cb -0.13 -2.76 0.05 0.00 0.00 0.00 0.00 23.12 20.28 1tpf s ALA 42 CO -0.12 -1.84 0.70 -1.54 0.00 0.00 0.00 175.76 172.96 1tpf s SER 43 N 2.49 5.33 0.86 0.00 1.04 -1.19 -1.90 113.70 120.33 1tpf s SER 43 Ca 0.05 -0.62 -0.10 0.00 0.48 0.00 0.00 55.95 55.76 1tpf s SER 43 Cb -0.25 -0.17 0.11 0.00 0.10 0.00 0.00 66.02 65.81 1tpf s SER 43 CO -0.00 -1.10 1.11 0.42 0.98 0.00 0.00 173.24 174.65 1tpf s THR 44 N -2.55 2.66 0.31 2.02 -4.23 -1.26 -4.24 115.64 108.36 1tpf s THR 44 Ca 0.59 0.22 0.04 0.00 -1.18 0.00 0.00 61.69 61.35 1tpf s THR 44 Cb -0.08 -2.48 0.30 0.00 1.34 0.00 0.00 72.50 71.58 1tpf s THR 44 CO 0.37 -0.28 1.87 -0.26 -0.54 0.00 0.00 174.62 175.77 1tpf h PHE 45 N -1.55 1.00 -0.44 3.99 0.04 -1.95 -2.30 116.94 115.74 1tpf h PHE 45 Ca -0.44 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.35 1tpf h PHE 45 Cb 1.26 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 39.06 1tpf h PHE 45 CO 0.52 0.42 0.26 0.28 -0.60 0.00 0.00 178.31 179.20 1tpf h VAL 46 N 0.90 1.13 -0.23 -0.55 2.07 -2.02 -2.78 116.25 114.75 1tpf h VAL 46 Ca 0.45 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.69 1tpf h VAL 46 Cb 0.49 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1tpf h VAL 46 CO -0.21 0.13 0.00 1.41 0.02 0.00 0.00 177.57 178.92 1tpf n HIS 47 N -4.45 0.30 -0.28 1.57 8.25 -0.87 -4.29 115.22 115.45 1tpf n HIS 47 Ca 0.03 -0.15 -0.05 0.00 -0.26 0.00 0.00 57.72 57.29 1tpf n HIS 47 Cb 0.08 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.25 1tpf n HIS 47 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1tpf h LEU 48 N 2.94 0.98 0.51 2.41 3.38 -1.37 -1.87 115.31 122.30 1tpf h LEU 48 Ca 0.00 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1tpf h LEU 48 Cb 0.65 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1tpf h LEU 48 CO 0.00 0.83 -0.33 0.00 0.09 0.00 0.00 178.44 179.03 1tpf h ALA 49 N 1.19 -0.82 -0.61 1.53 0.00 -1.80 -0.44 119.26 118.31 1tpf h ALA 49 Ca 0.26 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1tpf h ALA 49 Cb 0.09 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1tpf h ALA 49 CO -0.04 -0.98 0.40 1.98 0.00 0.00 0.00 179.25 180.62 1tpf h MET 50 N -0.81 0.79 0.01 0.00 1.85 -1.84 -1.36 114.93 113.58 1tpf h MET 50 Ca -0.06 -0.05 -0.00 0.00 -0.61 0.00 0.00 59.70 58.99 1tpf h MET 50 Cb 0.67 -0.18 0.00 0.00 0.43 0.00 0.00 31.60 32.52 1tpf h MET 50 CO 0.04 0.52 -0.00 1.15 -0.40 0.00 0.00 176.91 178.22 1tpf h THR 51 N 0.82 1.23 -0.55 -0.77 2.02 -1.08 -1.94 112.91 112.64 1tpf h THR 51 Ca 0.23 -0.73 0.11 0.00 0.77 0.00 0.00 66.41 66.78 1tpf h THR 51 Cb -0.08 1.73 -0.03 0.00 -1.74 0.00 0.00 68.15 68.02 1tpf h THR 51 CO -0.05 0.19 0.38 0.50 0.37 0.00 0.00 175.52 176.91 1tpf h LYS 52 N -0.33 0.28 0.02 6.66 3.64 -0.77 0.10 116.57 126.18 1tpf h LYS 52 Ca -0.00 -0.02 -0.26 0.00 -1.27 0.00 0.00 60.65 59.10 1tpf h LYS 52 Cb 0.32 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 1tpf h LYS 52 CO 0.00 0.19 -1.41 0.93 -2.27 0.00 0.00 179.45 176.89 1tpf h GLU 53 N 0.29 0.05 0.00 1.90 3.07 -1.10 -3.39 114.58 115.39 1tpf h GLU 53 Ca 0.26 -0.08 -0.16 0.00 -0.50 0.00 0.00 59.36 58.88 1tpf h GLU 53 Cb 0.63 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.54 1tpf h GLU 53 CO -0.06 0.80 -2.14 0.54 -1.40 0.00 0.00 179.01 176.75 1tpf n ARG 54 N -3.24 0.71 -2.39 2.33 1.74 -0.74 -4.85 116.66 110.23 1tpf n ARG 54 Ca -0.11 -0.11 -0.41 0.00 -0.77 0.00 0.00 57.85 56.45 1tpf n ARG 54 Cb 1.01 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.92 1tpf n ARG 54 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1tpf s LEU 55 N -4.91 3.34 -0.00 0.55 0.20 0.32 -4.82 118.68 113.35 1tpf s LEU 55 Ca -0.09 0.14 0.17 0.00 0.69 0.00 0.00 54.13 55.04 1tpf s LEU 55 Cb 0.10 -2.90 -0.20 0.00 -0.43 0.00 0.00 46.19 42.76 1tpf s LEU 55 CO 0.84 -1.81 0.67 -1.54 -0.29 0.00 0.00 176.35 174.22 1tpf n SER 56 N 9.86 0.83 -4.67 3.68 3.41 -1.26 -4.91 113.62 120.57 1tpf n SER 56 Ca 0.11 -0.75 -0.44 0.00 -0.26 0.00 0.00 58.87 57.53 1tpf n SER 56 Cb 0.49 1.14 -0.04 0.00 -0.26 0.00 0.00 64.21 65.55 1tpf n SER 56 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1tpf n HIS 57 N -1.52 2.46 0.13 7.33 -0.00 -1.26 -4.82 115.22 117.53 1tpf n HIS 57 Ca 0.02 -0.27 0.07 0.00 -0.00 0.00 0.00 57.72 57.55 1tpf n HIS 57 Cb 0.30 -2.76 0.39 0.00 -0.00 0.00 0.00 29.99 27.92 1tpf n HIS 57 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1tpf n PRO 58 N 7.27 0.09 0.00 1.57 -0.04 -1.26 -1.69 135.00 140.94 1tpf n PRO 58 Ca 0.21 0.58 0.14 0.00 -0.04 0.00 0.00 63.50 64.39 1tpf n PRO 58 Cb 0.37 -1.80 0.51 0.00 -0.04 0.00 0.00 33.50 32.55 1tpf n PRO 58 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1tpf n LYS 59 N -2.00 1.23 -4.33 0.54 5.02 -1.26 -4.89 118.16 112.48 1tpf n LYS 59 Ca -0.01 -0.66 -0.32 0.00 -2.02 0.00 0.00 58.31 55.31 1tpf n LYS 59 Cb 0.03 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 33.46 1tpf n LYS 59 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1tpf s PHE 60 N -2.22 2.93 0.12 2.13 0.40 -0.68 -1.15 117.98 119.50 1tpf s PHE 60 Ca 0.33 -0.03 0.06 0.00 -0.60 0.00 0.00 56.93 56.69 1tpf s PHE 60 Cb 0.20 -1.58 -0.04 0.00 0.51 0.00 0.00 43.02 42.11 1tpf s PHE 60 CO 0.41 0.42 -0.14 0.14 0.70 0.00 0.00 175.22 176.76 1tpf s VAL 61 N -1.11 1.28 0.16 -0.44 -7.23 -0.47 -4.92 120.40 107.67 1tpf s VAL 61 Ca 0.20 -1.71 0.04 0.00 -1.81 0.00 0.00 61.98 58.70 1tpf s VAL 61 Cb -0.11 -1.51 -0.04 0.00 0.56 0.00 0.00 36.38 35.28 1tpf s VAL 61 CO 0.11 -0.43 0.23 -0.63 -0.31 0.00 0.00 175.10 174.06 1tpf s ILE 62 N -2.18 4.98 0.14 -0.62 1.01 -1.26 -1.29 121.20 121.98 1tpf s ILE 62 Ca 0.08 -0.86 -0.07 0.00 0.00 0.00 0.00 60.65 59.80 1tpf s ILE 62 Cb -0.05 -3.56 -0.02 0.00 0.01 0.00 0.00 42.46 38.84 1tpf s ILE 62 CO 0.03 -0.11 0.20 0.00 0.00 0.00 0.00 174.94 175.05 1tpf s ALA 63 N -1.76 0.19 0.18 9.38 0.00 0.37 -3.84 121.76 126.28 1tpf s ALA 63 Ca 0.33 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 51.33 1tpf s ALA 63 Cb -0.11 0.77 -0.03 0.00 0.00 0.00 0.00 23.12 23.75 1tpf s ALA 63 CO 0.26 -0.57 0.32 0.00 0.00 0.00 0.00 175.76 175.77 1tpf s ALA 64 N -3.97 3.95 -2.50 0.00 0.00 -0.61 -3.16 121.76 115.46 1tpf s ALA 64 Ca 0.16 -1.09 0.26 0.00 0.00 0.00 0.00 51.96 51.30 1tpf s ALA 64 Cb 0.05 -1.78 0.72 0.00 0.00 0.00 0.00 23.12 22.11 1tpf s ALA 64 CO -0.02 0.43 1.55 1.04 0.00 0.00 0.00 175.76 178.76 1tpf n GLN 65 N -0.85 1.70 0.00 0.00 6.02 -1.26 -1.49 117.38 121.51 1tpf n GLN 65 Ca -0.08 -1.16 0.00 0.00 -0.01 0.00 0.00 57.00 55.76 1tpf n GLN 65 Cb 0.55 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.33 1tpf n GLN 65 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1tpf n ASN 66 N 0.36 0.00 -3.60 1.08 5.15 -1.21 -4.63 115.26 112.41 1tpf n ASN 66 Ca 0.16 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.15 1tpf n ASN 66 Cb 0.43 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.67 1tpf n ASN 66 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1tpf s ALA 67 N -2.00 -2.28 0.19 5.20 0.00 -1.26 -4.94 121.76 116.66 1tpf s ALA 67 Ca 0.00 1.15 0.07 0.00 0.00 0.00 0.00 51.96 53.18 1tpf s ALA 67 Cb 0.00 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 1tpf s ALA 67 CO 0.00 -0.88 0.03 0.96 0.00 0.00 0.00 175.76 175.87 1tpf s ILE 68 N -2.24 3.84 0.23 0.00 -4.36 -0.02 -4.97 121.20 113.68 1tpf s ILE 68 Ca 0.13 -1.43 -0.04 0.00 -0.26 0.00 0.00 60.65 59.05 1tpf s ILE 68 Cb 0.04 -2.95 0.08 0.00 1.25 0.00 0.00 42.46 40.88 1tpf s ILE 68 CO -0.05 -0.15 1.70 0.00 0.24 0.00 0.00 174.94 176.68 1tpf h ALA 69 N 2.51 0.99 -2.23 2.27 0.00 -1.93 -1.16 119.26 119.70 1tpf h ALA 69 Ca -0.47 -0.30 -0.30 0.00 0.00 0.00 0.00 54.91 53.84 1tpf h ALA 69 Cb 1.21 -0.19 -0.15 0.00 0.00 0.00 0.00 17.79 18.66 1tpf h ALA 69 CO 0.59 0.61 -0.70 0.15 0.00 0.00 0.00 179.25 179.90 1tpf s LYS 70 N -4.91 1.02 0.62 0.00 1.02 -1.26 -4.13 119.74 112.10 1tpf s LYS 70 Ca -0.10 -1.44 -0.09 0.00 0.02 0.00 0.00 55.97 54.36 1tpf s LYS 70 Cb 0.14 -0.47 -0.02 0.00 -0.52 0.00 0.00 37.83 36.96 1tpf s LYS 70 CO 0.83 0.02 0.98 -1.12 -0.92 0.00 0.00 175.35 175.14 1tpf s SER 71 N -3.14 5.90 0.00 2.83 0.01 -1.26 -4.70 113.70 113.34 1tpf s SER 71 Ca 0.17 1.13 0.00 0.00 1.31 0.00 0.00 55.95 58.55 1tpf s SER 71 Cb 0.04 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 64.13 1tpf s SER 71 CO -0.00 -0.99 0.00 0.61 0.41 0.00 0.00 173.24 173.27 1tpf n GLY 72 N -2.71 0.22 2.82 3.44 0.00 -1.26 -4.99 105.19 102.71 1tpf n GLY 72 Ca 0.05 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 1tpf n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tpf n ALA 73 N -0.51 5.16 -3.33 4.61 0.00 -1.26 -4.69 120.51 120.49 1tpf n ALA 73 Ca 0.00 -3.81 -0.26 0.00 0.00 0.00 0.00 53.44 49.38 1tpf n ALA 73 Cb 0.00 -3.55 -0.08 0.00 0.00 0.00 0.00 19.45 15.81 1tpf n ALA 73 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1tpf n PHE 74 N 6.43 0.17 -1.62 0.00 3.72 -1.26 -5.10 117.46 119.81 1tpf n PHE 74 Ca 0.52 -3.60 -0.51 0.00 -0.05 0.00 0.00 57.45 53.80 1tpf n PHE 74 Cb 0.40 -0.20 -0.06 0.00 -0.94 0.00 0.00 39.48 38.68 1tpf n PHE 74 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1tpf n THR 75 N 1.83 0.05 0.00 4.37 -1.04 -1.26 -2.11 114.28 116.11 1tpf n THR 75 Ca 0.25 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.25 1tpf n THR 75 Cb 0.49 -1.01 0.00 0.00 -1.82 0.00 0.00 70.33 67.99 1tpf n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1tpf n GLY 76 N 2.88 3.33 3.97 3.41 0.00 -1.26 -5.06 105.19 112.47 1tpf n GLY 76 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 1tpf n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tpf s GLU 77 N -0.68 3.09 -0.04 1.61 0.41 -0.90 -5.11 118.70 117.07 1tpf s GLU 77 Ca 0.00 -0.75 0.05 0.00 -0.41 0.00 0.00 54.97 53.86 1tpf s GLU 77 Cb 0.00 -2.69 -0.01 0.00 -1.78 0.00 0.00 34.13 29.65 1tpf s GLU 77 CO 0.00 -0.10 -0.20 0.08 -0.49 0.00 0.00 175.26 174.55 1tpf s VAL 78 N -2.36 1.66 0.31 2.63 1.01 -1.26 -4.99 120.40 117.39 1tpf s VAL 78 Ca 0.46 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.65 1tpf s VAL 78 Cb -0.10 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 1tpf s VAL 78 CO 0.34 0.47 0.45 -0.94 0.00 0.00 0.00 175.10 175.42 1tpf s SER 79 N -0.10 6.09 0.15 3.32 1.04 -1.26 -0.84 113.70 122.10 1tpf s SER 79 Ca -0.02 -0.05 -0.17 0.00 0.48 0.00 0.00 55.95 56.19 1tpf s SER 79 Cb -0.12 -1.48 0.03 0.00 0.10 0.00 0.00 66.02 64.55 1tpf s SER 79 CO 0.02 -0.33 1.77 -0.07 0.98 0.00 0.00 173.24 175.62 1tpf h LEU 80 N 0.95 0.25 -1.12 2.42 3.38 -1.36 -2.37 115.31 117.46 1tpf h LEU 80 Ca -0.48 0.02 0.13 0.00 0.09 0.00 0.00 57.88 57.63 1tpf h LEU 80 Cb 1.25 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.89 1tpf h LEU 80 CO 0.56 0.19 0.61 -0.65 0.09 0.00 0.00 178.44 179.23 1tpf h PRO 81 N 0.35 0.85 -0.36 1.13 0.11 -1.87 0.56 132.00 132.78 1tpf h PRO 81 Ca 0.14 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.09 1tpf h PRO 81 Cb 0.06 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 30.96 1tpf h PRO 81 CO -0.10 0.57 -0.20 0.82 -0.21 0.00 0.00 178.00 178.87 1tpf h ILE 82 N 0.88 1.28 -0.55 4.15 2.04 -1.87 -0.55 117.51 122.89 1tpf h ILE 82 Ca 0.47 -1.34 -0.05 0.00 1.00 0.00 0.00 64.86 64.94 1tpf h ILE 82 Cb 0.56 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 1tpf h ILE 82 CO -0.24 0.44 0.14 -0.07 0.00 0.00 0.00 178.15 178.42 1tpf h LEU 83 N 0.57 0.84 -0.28 1.44 3.38 -0.79 -0.95 115.31 119.51 1tpf h LEU 83 Ca 0.08 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1tpf h LEU 83 Cb 0.76 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1tpf h LEU 83 CO 0.06 0.85 0.19 0.50 0.09 0.00 0.00 178.44 180.12 1tpf h LYS 84 N 0.78 0.38 -0.63 1.13 3.64 -0.84 -0.64 116.57 120.39 1tpf h LYS 84 Ca 0.17 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.60 1tpf h LYS 84 Cb 0.34 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 1tpf h LYS 84 CO 0.00 0.26 0.42 0.22 -2.27 0.00 0.00 179.45 178.07 1tpf h ASP 85 N 0.38 0.52 0.31 4.20 3.58 -0.78 0.36 116.42 124.99 1tpf h ASP 85 Ca 0.10 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.56 1tpf h ASP 85 Cb -0.04 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 40.91 1tpf h ASP 85 CO -0.02 0.33 0.00 0.33 -2.88 0.00 0.00 179.24 177.00 1tpf n PHE 86 N -4.48 0.00 -2.04 0.28 7.35 -0.34 -4.91 117.46 113.32 1tpf n PHE 86 Ca 0.09 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.78 1tpf n PHE 86 Cb 0.26 -0.16 0.00 0.00 0.35 0.00 0.00 39.48 39.93 1tpf n PHE 86 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1tpf n GLY 87 N 1.02 0.59 3.56 7.13 0.00 0.12 -5.06 105.19 112.55 1tpf n GLY 87 Ca 0.17 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 45.05 1tpf n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tpf s VAL 88 N -2.27 4.49 -0.39 1.61 1.01 -0.65 -4.97 120.40 119.22 1tpf s VAL 88 Ca 0.00 -0.13 0.04 0.00 0.00 0.00 0.00 61.98 61.88 1tpf s VAL 88 Cb 0.00 -3.03 0.01 0.00 0.00 0.00 0.00 36.38 33.36 1tpf s VAL 88 CO 0.00 0.43 0.49 0.59 0.00 0.00 0.00 175.10 176.61 1tpf n ASN 89 N 3.90 1.00 -4.31 3.32 3.02 -1.26 -4.14 115.26 116.79 1tpf n ASN 89 Ca -0.17 -1.00 -0.27 0.00 -0.03 0.00 0.00 54.58 53.12 1tpf n ASN 89 Cb 0.52 0.27 -0.13 0.00 -0.61 0.00 0.00 39.78 39.82 1tpf n ASN 89 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1tpf s TRP 90 N -0.58 2.01 -0.05 3.10 0.52 -1.25 -0.59 118.94 122.10 1tpf s TRP 90 Ca 0.04 -0.40 -0.20 0.00 0.02 0.00 0.00 56.10 55.56 1tpf s TRP 90 Cb 0.03 -1.15 0.04 0.00 -1.15 0.00 0.00 33.47 31.24 1tpf s TRP 90 CO 0.07 0.19 0.45 -1.50 0.02 0.00 0.00 176.95 176.18 1tpf s ILE 91 N -0.97 0.03 -0.25 2.03 2.07 -0.88 -1.58 121.20 121.65 1tpf s ILE 91 Ca 0.09 -0.25 -0.10 0.00 -1.41 0.00 0.00 60.65 58.98 1tpf s ILE 91 Cb -0.10 -0.74 -0.05 0.00 0.13 0.00 0.00 42.46 41.71 1tpf s ILE 91 CO 0.04 -0.14 0.15 -0.69 -1.91 0.00 0.00 174.94 172.39 1tpf s VAL 92 N -1.02 5.19 0.04 4.00 1.01 -0.56 -0.50 120.40 128.56 1tpf s VAL 92 Ca -0.11 0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.05 1tpf s VAL 92 Cb -0.03 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 1tpf s VAL 92 CO 0.05 0.32 -0.16 -0.76 0.00 0.00 0.00 175.10 174.56 1tpf s LEU 93 N 1.30 2.16 -0.48 3.92 1.43 -0.53 -3.36 118.68 123.12 1tpf s LEU 93 Ca 0.07 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1tpf s LEU 93 Cb -0.14 -0.72 0.00 0.00 0.03 0.00 0.00 46.19 45.36 1tpf s LEU 93 CO 0.06 0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.33 1tpf n GLY 94 N 1.94 0.58 3.65 -3.19 0.00 -1.26 -1.37 105.19 105.54 1tpf n GLY 94 Ca -0.17 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 1tpf n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1tpf n HIS 95 N -3.20 1.63 -0.29 1.61 -0.00 -1.26 -4.44 115.22 109.27 1tpf n HIS 95 Ca -0.05 0.53 0.23 0.00 0.46 0.00 0.00 57.72 58.89 1tpf n HIS 95 Cb 0.27 -2.30 0.53 0.00 -0.12 0.00 0.00 29.99 28.38 1tpf n HIS 95 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1tpf h SER 96 N 1.76 0.39 0.01 0.26 4.64 -1.94 0.11 113.55 118.77 1tpf h SER 96 Ca -0.46 0.06 -0.08 0.00 -0.47 0.00 0.00 61.79 60.84 1tpf h SER 96 Cb 1.32 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.39 1tpf h SER 96 CO 0.58 0.10 -0.21 -0.33 -0.87 0.00 0.00 176.83 176.10 1tpf h GLU 97 N 0.36 0.36 -0.05 4.77 5.08 -1.99 0.57 114.58 123.68 1tpf h GLU 97 Ca 0.55 -0.11 -0.23 0.00 -1.00 0.00 0.00 59.36 58.57 1tpf h GLU 97 Cb 1.47 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.69 1tpf h GLU 97 CO -0.23 0.56 -0.88 0.00 -1.00 0.00 0.00 179.01 177.45 1tpf h ARG 98 N 0.32 0.57 -0.26 2.33 3.08 -1.16 0.48 114.38 119.73 1tpf h ARG 98 Ca 0.05 -0.54 -0.12 0.00 0.07 0.00 0.00 59.98 59.45 1tpf h ARG 98 Cb 0.56 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 1tpf h ARG 98 CO 0.04 1.16 -0.33 0.00 -1.07 0.00 0.00 179.97 179.77 1tpf h ARG 99 N 0.35 0.56 0.11 0.04 3.08 -1.01 -0.67 114.38 116.84 1tpf h ARG 99 Ca -0.07 -0.26 -0.25 0.00 0.07 0.00 0.00 59.98 59.47 1tpf h ARG 99 Cb 1.51 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.55 1tpf h ARG 99 CO 0.16 0.83 -1.24 0.00 -1.07 0.00 0.00 179.97 178.65 1tpf h ALA 100 N 1.16 0.13 0.00 0.04 0.00 -0.86 -3.37 119.26 116.35 1tpf h ALA 100 Ca 0.05 -1.00 -0.04 0.00 0.00 0.00 0.00 54.91 53.92 1tpf h ALA 100 Cb 0.81 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1tpf h ALA 100 CO 0.07 0.71 -1.87 0.66 0.00 0.00 0.00 179.25 178.81 1tpf n TYR 101 N -4.02 0.18 -1.73 0.00 4.01 0.15 -4.64 117.16 111.12 1tpf n TYR 101 Ca -0.23 0.05 0.02 0.00 -0.16 0.00 0.00 57.90 57.59 1tpf n TYR 101 Cb 0.86 -0.64 0.17 0.00 -0.31 0.00 0.00 39.34 39.42 1tpf n TYR 101 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1tpf n TYR 102 N -2.39 0.35 -1.42 -0.72 4.01 -0.27 -4.99 117.16 111.71 1tpf n TYR 102 Ca -0.06 -1.52 -0.15 0.00 -0.16 0.00 0.00 57.90 56.01 1tpf n TYR 102 Cb 0.63 -0.25 -0.06 0.00 -0.31 0.00 0.00 39.34 39.35 1tpf n TYR 102 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1tpf n GLY 103 N -0.95 1.48 3.59 2.72 0.00 -1.20 -4.93 105.19 105.91 1tpf n GLY 103 Ca 0.21 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1tpf n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tpf s GLU 104 N -3.19 3.73 0.59 1.61 2.02 -1.12 -5.00 118.70 117.33 1tpf s GLU 104 Ca 0.00 0.51 0.00 0.00 0.02 0.00 0.00 54.97 55.50 1tpf s GLU 104 Cb 0.00 -3.88 0.04 0.00 0.10 0.00 0.00 34.13 30.40 1tpf s GLU 104 CO 0.00 -1.21 0.83 0.95 0.02 0.00 0.00 175.26 175.85 1tpf s THR 105 N 3.99 2.57 0.30 3.63 -4.23 -1.26 -4.38 115.64 116.26 1tpf s THR 105 Ca 0.43 -0.60 0.06 0.00 -1.18 0.00 0.00 61.69 60.39 1tpf s THR 105 Cb -0.09 -2.96 0.29 0.00 1.34 0.00 0.00 72.50 71.08 1tpf s THR 105 CO 0.26 0.00 1.75 0.78 -0.54 0.00 0.00 174.62 176.87 1tpf h ASN 106 N -0.07 0.64 -0.23 3.99 2.35 -1.96 -0.13 115.58 120.17 1tpf h ASN 106 Ca -0.42 0.12 -0.19 0.00 -0.55 0.00 0.00 56.30 55.26 1tpf h ASN 106 Cb 1.30 0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.68 1tpf h ASN 106 CO 0.52 0.17 -0.60 -0.33 -1.65 0.00 0.00 177.43 175.55 1tpf h GLU 107 N 0.63 0.84 -0.33 0.81 3.07 -1.94 -0.00 114.58 117.65 1tpf h GLU 107 Ca 0.58 -0.56 -0.03 0.00 -0.50 0.00 0.00 59.36 58.84 1tpf h GLU 107 Cb 0.99 0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.96 1tpf h GLU 107 CO -0.43 1.19 0.08 0.82 -1.40 0.00 0.00 179.01 179.27 1tpf h ILE 108 N 0.63 1.22 -0.57 3.13 2.04 -1.66 -0.91 117.51 121.40 1tpf h ILE 108 Ca -0.00 -0.76 0.02 0.00 1.00 0.00 0.00 64.86 65.12 1tpf h ILE 108 Cb 1.21 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 38.34 1tpf h ILE 108 CO 0.13 0.26 0.35 0.58 0.00 0.00 0.00 178.15 179.46 1tpf h VAL 109 N 0.38 1.08 -0.99 1.67 2.07 -0.99 -1.78 116.25 117.69 1tpf h VAL 109 Ca 0.10 -0.24 0.07 0.00 0.82 0.00 0.00 66.70 67.46 1tpf h VAL 109 Cb 0.31 0.32 -0.07 0.00 -1.52 0.00 0.00 31.29 30.33 1tpf h VAL 109 CO 0.00 0.13 0.64 0.00 0.02 0.00 0.00 177.57 178.36 1tpf h ALA 110 N 1.24 1.44 -0.42 1.67 0.00 -0.57 -0.37 119.26 122.25 1tpf h ALA 110 Ca 0.22 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 1tpf h ALA 110 Cb 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1tpf h ALA 110 CO -0.09 0.41 -0.12 -0.44 0.00 0.00 0.00 179.25 179.01 1tpf h ASP 111 N 1.13 0.83 0.16 0.00 3.32 -0.62 -1.95 116.42 119.29 1tpf h ASP 111 Ca 0.43 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1tpf h ASP 111 Cb 0.20 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1tpf h ASP 111 CO -0.18 1.00 -0.08 0.11 -1.72 0.00 0.00 179.24 178.38 1tpf h LYS 112 N 0.64 -0.21 -0.23 3.56 1.57 -0.74 -0.66 116.57 120.50 1tpf h LYS 112 Ca 0.10 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.96 1tpf h LYS 112 Cb 0.65 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.94 1tpf h LYS 112 CO 0.04 -0.10 -0.23 0.28 -0.57 0.00 0.00 179.45 178.87 1tpf h VAL 113 N -0.26 0.41 -0.69 0.50 2.07 -1.03 0.98 116.25 118.23 1tpf h VAL 113 Ca -0.02 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.53 1tpf h VAL 113 Cb 0.20 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 1tpf h VAL 113 CO 0.04 0.00 0.43 0.00 0.02 0.00 0.00 177.57 178.05 1tpf h ALA 114 N 0.80 0.90 -0.70 1.67 0.00 -1.26 0.13 119.26 120.80 1tpf h ALA 114 Ca 0.13 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1tpf h ALA 114 Cb 0.45 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1tpf h ALA 114 CO -0.37 0.19 0.28 0.00 0.00 0.00 0.00 179.25 179.35 1tpf h ALA 115 N 1.30 0.90 0.05 0.00 0.00 -0.48 -0.80 119.26 120.24 1tpf h ALA 115 Ca 0.28 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1tpf h ALA 115 Cb 0.03 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1tpf h ALA 115 CO -0.11 0.52 -0.03 0.00 0.00 0.00 0.00 179.25 179.64 1tpf h ALA 116 N 1.13 -0.07 -0.73 0.00 0.00 0.02 -0.66 119.26 118.95 1tpf h ALA 116 Ca 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1tpf h ALA 116 Cb 0.21 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1tpf h ALA 116 CO -0.02 -0.54 0.47 0.28 0.00 0.00 0.00 179.25 179.44 1tpf h VAL 117 N -0.08 1.20 -0.01 0.00 2.07 -0.67 -1.46 116.25 117.29 1tpf h VAL 117 Ca -0.01 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 1tpf h VAL 117 Cb 0.06 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 1tpf h VAL 117 CO 0.01 0.20 -0.15 0.00 0.02 0.00 0.00 177.57 177.65 1tpf h ALA 118 N 1.25 1.73 -0.01 1.67 0.00 -0.80 -1.28 119.26 121.82 1tpf h ALA 118 Ca 0.27 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1tpf h ALA 118 Cb -0.08 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1tpf h ALA 118 CO -0.05 0.20 0.00 0.43 0.00 0.00 0.00 179.25 179.83 1tpf n SER 119 N -4.35 0.43 0.00 0.00 7.64 -0.28 -4.90 113.62 112.15 1tpf n SER 119 Ca -0.02 -1.22 0.00 0.00 1.01 0.00 0.00 58.87 58.64 1tpf n SER 119 Cb 0.22 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 1tpf n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tpf n GLY 120 N 1.01 0.72 3.91 0.23 0.00 -0.48 -5.06 105.19 105.51 1tpf n GLY 120 Ca 0.21 -0.27 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 1tpf n GLY 120 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tpf s PHE 121 N -2.00 3.54 -0.18 1.61 0.40 -0.66 -4.99 117.98 115.70 1tpf s PHE 121 Ca 0.00 0.75 -0.16 0.00 -0.60 0.00 0.00 56.93 56.92 1tpf s PHE 121 Cb 0.00 -2.24 -0.04 0.00 0.51 0.00 0.00 43.02 41.25 1tpf s PHE 121 CO 0.00 -0.17 0.42 -1.64 0.70 0.00 0.00 175.22 174.52 1tpf s MET 122 N -4.52 4.21 -0.01 0.44 -1.94 0.24 -4.41 119.30 113.31 1tpf s MET 122 Ca 0.46 0.26 0.07 0.00 -1.71 0.00 0.00 55.69 54.77 1tpf s MET 122 Cb -0.10 -3.51 -0.02 0.00 2.01 0.00 0.00 34.83 33.20 1tpf s MET 122 CO 0.41 0.01 -0.22 0.08 -0.01 0.00 0.00 175.02 175.29 1tpf s VAL 123 N 1.14 2.42 -0.54 -6.03 1.01 0.59 -2.07 120.40 116.92 1tpf s VAL 123 Ca 0.21 -1.04 -0.11 0.00 0.00 0.00 0.00 61.98 61.03 1tpf s VAL 123 Cb -0.15 -1.90 0.14 0.00 0.00 0.00 0.00 36.38 34.47 1tpf s VAL 123 CO 0.08 0.53 0.45 -0.63 0.00 0.00 0.00 175.10 175.53 1tpf s ILE 124 N -0.70 4.64 -0.23 2.22 1.01 0.35 -0.84 121.20 127.65 1tpf s ILE 124 Ca 0.11 -1.85 -0.19 0.00 0.00 0.00 0.00 60.65 58.73 1tpf s ILE 124 Cb -0.10 -4.00 -0.03 0.00 0.01 0.00 0.00 42.46 38.33 1tpf s ILE 124 CO 0.00 -0.84 0.53 0.00 0.00 0.00 0.00 174.94 174.64 1tpf s ALA 125 N 1.21 3.57 -0.04 9.38 0.00 0.66 -1.45 121.76 135.09 1tpf s ALA 125 Ca 0.07 -0.48 -0.17 0.00 0.00 0.00 0.00 51.96 51.38 1tpf s ALA 125 Cb -0.25 -2.87 -0.05 0.00 0.00 0.00 0.00 23.12 19.94 1tpf s ALA 125 CO -0.01 -0.61 0.46 0.00 0.00 0.00 0.00 175.76 175.60 1tpf s ILE 127 N -0.34 0.47 0.00 0.00 -4.36 -0.38 -4.68 121.20 111.91 1tpf s ILE 127 Ca 0.25 -1.91 0.00 0.00 -0.26 0.00 0.00 60.65 58.73 1tpf s ILE 127 Cb -0.16 -1.82 0.00 0.00 1.25 0.00 0.00 42.46 41.73 1tpf s ILE 127 CO 0.13 -0.73 0.00 0.61 0.24 0.00 0.00 174.94 175.18 1tpf n GLY 128 N -0.06 3.40 3.79 6.27 0.00 -1.26 0.64 105.19 117.97 1tpf n GLY 128 Ca -0.10 -0.54 -0.28 0.00 0.00 0.00 0.00 46.02 45.10 1tpf n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1tpf s GLU 129 N -2.00 2.88 0.81 1.61 1.03 -1.25 -4.84 118.70 116.94 1tpf s GLU 129 Ca 0.00 -0.82 -0.08 0.00 0.03 0.00 0.00 54.97 54.10 1tpf s GLU 129 Cb 0.00 -2.66 0.14 0.00 -0.80 0.00 0.00 34.13 30.81 1tpf s GLU 129 CO 0.00 0.51 1.13 0.95 -1.33 0.00 0.00 175.26 176.52 1tpf s THR 130 N -1.63 2.11 0.12 1.83 -4.23 -1.26 -1.87 115.64 110.71 1tpf s THR 130 Ca 0.30 -0.30 -0.30 0.00 -1.18 0.00 0.00 61.69 60.22 1tpf s THR 130 Cb -0.11 -2.81 -0.07 0.00 1.34 0.00 0.00 72.50 70.85 1tpf s THR 130 CO 0.23 0.00 1.59 0.25 -0.54 0.00 0.00 174.62 176.15 1tpf h LEU 131 N -0.98 -1.23 -0.67 4.79 5.85 -1.81 0.69 115.31 121.95 1tpf h LEU 131 Ca -0.41 0.15 0.13 0.00 0.84 0.00 0.00 57.88 58.59 1tpf h LEU 131 Cb 1.26 0.48 -0.09 0.00 0.37 0.00 0.00 40.66 42.68 1tpf h LEU 131 CO 0.43 -0.44 0.20 -0.61 -0.34 0.00 0.00 178.44 177.68 1tpf h GLN 132 N -0.55 0.32 -0.18 1.25 4.15 -1.96 0.13 115.11 118.27 1tpf h GLN 132 Ca 0.05 -0.02 -0.11 0.00 0.77 0.00 0.00 58.65 59.34 1tpf h GLN 132 Cb 0.64 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 1tpf h GLN 132 CO -0.32 0.21 -0.36 0.93 -1.93 0.00 0.00 178.83 177.37 1tpf h GLU 133 N 0.33 0.39 0.41 1.69 5.08 -1.83 -2.30 114.58 118.34 1tpf h GLU 133 Ca 0.36 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 1tpf h GLU 133 Cb 0.55 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1tpf h GLU 133 CO -0.41 0.70 -0.20 -0.09 -1.00 0.00 0.00 179.01 178.01 1tpf h ARG 134 N 0.33 -0.53 -0.50 2.33 2.43 0.10 0.81 114.38 119.35 1tpf h ARG 134 Ca 0.04 0.04 0.13 0.00 -0.81 0.00 0.00 59.98 59.37 1tpf h ARG 134 Cb 0.78 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.43 1tpf h ARG 134 CO 0.06 -0.22 0.36 0.93 -1.51 0.00 0.00 179.97 179.59 1tpf h GLU 135 N -0.95 0.09 -0.51 0.20 5.08 -0.83 0.61 114.58 118.27 1tpf h GLU 135 Ca -0.06 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1tpf h GLU 135 Cb 0.55 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1tpf h GLU 135 CO 0.09 0.06 0.00 -1.13 -1.00 0.00 0.00 179.01 177.03 1tpf n SER 136 N -4.42 1.82 -2.96 1.42 3.41 -0.87 -4.87 113.62 107.15 1tpf n SER 136 Ca 0.09 -2.13 -0.21 0.00 -0.26 0.00 0.00 58.87 56.35 1tpf n SER 136 Cb 0.52 -0.33 0.04 0.00 -0.26 0.00 0.00 64.21 64.18 1tpf n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tpf n GLY 137 N 0.59 -0.45 0.80 5.00 0.00 0.21 -4.92 105.19 106.42 1tpf n GLY 137 Ca 0.08 0.10 0.07 0.00 0.00 0.00 0.00 46.02 46.28 1tpf n GLY 137 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1tpf n ARG 138 N -4.03 2.78 -0.14 1.61 0.63 0.27 -4.74 116.66 113.05 1tpf n ARG 138 Ca -0.08 -2.17 -0.08 0.00 -0.92 0.00 0.00 57.85 54.60 1tpf n ARG 138 Cb 0.60 -1.34 -0.02 0.00 0.45 0.00 0.00 32.46 32.16 1tpf n ARG 138 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 1tpf h THR 139 N 2.57 0.19 -0.52 5.15 2.02 -1.81 -2.10 112.91 118.40 1tpf h THR 139 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1tpf h THR 139 Cb 0.79 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 1tpf h THR 139 CO 0.00 0.00 0.32 0.00 0.37 0.00 0.00 175.52 176.21 1tpf h ALA 140 N 0.74 0.67 -0.06 6.16 0.00 -1.94 -1.58 119.26 123.25 1tpf h ALA 140 Ca 0.18 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1tpf h ALA 140 Cb 0.55 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1tpf h ALA 140 CO -0.57 0.05 0.04 0.28 0.00 0.00 0.00 179.25 179.04 1tpf h VAL 141 N 0.65 1.06 0.65 0.00 2.07 -1.83 -0.88 116.25 117.97 1tpf h VAL 141 Ca 0.20 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 1tpf h VAL 141 Cb -0.01 1.06 0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1tpf h VAL 141 CO -0.08 0.05 -0.31 0.58 0.02 0.00 0.00 177.57 177.83 1tpf h VAL 142 N 0.03 0.34 -0.75 2.57 2.07 -1.27 0.21 116.25 119.45 1tpf h VAL 142 Ca 0.02 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 1tpf h VAL 142 Cb 0.05 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 1tpf h VAL 142 CO -0.00 0.01 0.30 -0.37 0.02 0.00 0.00 177.57 177.53 1tpf h VAL 143 N -0.93 1.25 -0.47 2.57 -1.51 -1.35 -0.80 116.25 115.02 1tpf h VAL 143 Ca -0.09 -0.80 -0.06 0.00 -1.23 0.00 0.00 66.70 64.52 1tpf h VAL 143 Cb 0.69 0.37 -0.02 0.00 -2.13 0.00 0.00 31.29 30.20 1tpf h VAL 143 CO 0.15 0.32 0.04 -0.07 -1.23 0.00 0.00 177.57 176.78 1tpf h LEU 144 N 1.08 0.71 -0.42 4.19 3.38 -1.12 -1.22 115.31 121.91 1tpf h LEU 144 Ca 0.25 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1tpf h LEU 144 Cb 0.21 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1tpf h LEU 144 CO -0.02 0.75 -0.02 0.74 0.09 0.00 0.00 178.44 179.98 1tpf h THR 145 N 0.71 1.26 -0.72 0.22 2.02 -0.03 -1.12 112.91 115.26 1tpf h THR 145 Ca 0.15 -1.06 -0.00 0.00 0.77 0.00 0.00 66.41 66.26 1tpf h THR 145 Cb 0.38 1.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 1tpf h THR 145 CO 0.01 0.36 0.43 1.56 0.37 0.00 0.00 175.52 178.25 1tpf h GLN 146 N 0.59 0.98 -0.33 6.66 4.20 -0.76 -2.44 115.11 124.01 1tpf h GLN 146 Ca 0.12 -0.09 -0.15 0.00 0.06 0.00 0.00 58.65 58.59 1tpf h GLN 146 Cb 0.52 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1tpf h GLN 146 CO 0.03 0.70 -0.40 0.97 -0.67 0.00 0.00 178.83 179.45 1tpf h ILE 147 N 0.98 1.28 -0.91 2.54 2.10 -1.11 -3.03 117.51 119.36 1tpf h ILE 147 Ca 0.26 -1.58 0.04 0.00 1.08 0.00 0.00 64.86 64.66 1tpf h ILE 147 Cb -0.03 1.46 -0.05 0.00 -1.09 0.00 0.00 36.82 37.11 1tpf h ILE 147 CO -0.05 0.52 0.60 0.00 -1.08 0.00 0.00 178.15 178.13 1tpf h ALA 148 N 0.89 1.43 -0.46 0.18 0.00 -0.97 0.42 119.26 120.75 1tpf h ALA 148 Ca 0.05 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1tpf h ALA 148 Cb 0.96 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1tpf h ALA 148 CO 0.09 0.48 0.23 0.00 0.00 0.00 0.00 179.25 180.05 1tpf h ALA 149 N 1.47 0.58 0.29 0.00 0.00 -1.33 0.46 119.26 120.73 1tpf h ALA 149 Ca 0.36 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 1tpf h ALA 149 Cb 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1tpf h ALA 149 CO -0.11 -0.12 -0.14 0.82 0.00 0.00 0.00 179.25 179.70 1tpf h ILE 150 N 0.46 0.75 -0.99 0.00 2.04 -1.32 -3.14 117.51 115.31 1tpf h ILE 150 Ca 0.20 -0.50 0.21 0.00 1.00 0.00 0.00 64.86 65.77 1tpf h ILE 150 Cb 0.11 1.02 -0.09 0.00 -0.74 0.00 0.00 36.82 37.11 1tpf h ILE 150 CO -0.14 0.10 0.62 0.00 0.00 0.00 0.00 178.15 178.73 1tpf h ALA 151 N -0.04 1.95 -0.12 1.87 0.00 0.61 -0.38 119.26 123.15 1tpf h ALA 151 Ca -0.04 0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1tpf h ALA 151 Cb 0.46 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1tpf h ALA 151 CO 0.06 -0.31 0.14 1.57 0.00 0.00 0.00 179.25 180.72 1tpf h LYS 152 N 0.58 0.00 -0.01 0.00 2.10 -0.05 -2.34 116.57 116.85 1tpf h LYS 152 Ca 0.56 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.21 1tpf h LYS 152 Cb 1.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 1tpf h LYS 152 CO -0.31 0.00 -0.59 1.63 -2.00 0.00 0.00 179.45 178.18 1tpf n LYS 153 N -3.75 0.61 -3.98 0.07 4.76 -0.16 -4.97 118.16 110.74 1tpf n LYS 153 Ca -0.00 -0.46 -0.23 0.00 -2.87 0.00 0.00 58.31 54.75 1tpf n LYS 153 Cb 0.25 -1.49 -0.05 0.00 -1.84 0.00 0.00 35.03 31.89 1tpf n LYS 153 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1tpf s LEU 154 N -2.71 3.34 0.29 -0.35 1.43 -0.88 -4.91 118.68 114.88 1tpf s LEU 154 Ca 0.15 -0.73 0.08 0.00 -1.03 0.00 0.00 54.13 52.61 1tpf s LEU 154 Cb 0.18 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 1tpf s LEU 154 CO 0.67 -0.36 0.12 -0.54 0.23 0.00 0.00 176.35 176.47 1tpf s LYS 155 N -3.91 2.55 0.20 1.70 1.02 -1.26 -5.00 119.74 115.05 1tpf s LYS 155 Ca 0.40 -1.32 -0.18 0.00 0.02 0.00 0.00 55.97 54.88 1tpf s LYS 155 Cb -0.03 -2.32 0.19 0.00 -0.52 0.00 0.00 37.83 35.14 1tpf s LYS 155 CO 0.24 0.29 1.58 -0.22 -0.92 0.00 0.00 175.35 176.32 1tpf h LYS 156 N 1.62 -0.10 -0.49 1.68 3.64 -1.97 -0.10 116.57 120.85 1tpf h LYS 156 Ca -0.45 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.05 1tpf h LYS 156 Cb 1.25 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.07 1tpf h LYS 156 CO 0.61 -0.06 0.34 0.00 -2.27 0.00 0.00 179.45 178.07 1tpf h ALA 157 N 1.23 2.28 0.00 5.00 0.00 -2.02 -1.82 119.26 123.93 1tpf h ALA 157 Ca 0.28 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1tpf h ALA 157 Cb 0.56 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1tpf h ALA 157 CO -0.75 -0.41 -0.09 -0.44 0.00 0.00 0.00 179.25 177.55 1tpf h ASP 158 N 0.13 0.00 -0.13 0.00 3.32 -1.40 -2.82 116.42 115.53 1tpf h ASP 158 Ca 0.23 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.32 1tpf h ASP 158 Cb 0.74 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 1tpf h ASP 158 CO -0.03 0.09 0.28 -0.50 -1.72 0.00 0.00 179.24 177.36 1tpf h TRP 159 N 0.00 0.00 0.00 4.55 4.06 -1.39 -0.54 115.95 122.63 1tpf h TRP 159 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1tpf h TRP 159 Cb 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.35 1tpf h TRP 159 CO 0.00 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.88 1tpf h ALA 160 N 1.56 1.00 -0.31 1.49 0.00 -1.71 -2.40 119.26 118.89 1tpf h ALA 160 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1tpf h ALA 160 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1tpf h ALA 160 CO -0.00 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.88 1tpf n LYS 161 N -2.93 2.22 -4.22 0.00 4.76 -0.21 -4.96 118.16 112.82 1tpf n LYS 161 Ca -0.00 -2.05 -0.34 0.00 -2.87 0.00 0.00 58.31 53.04 1tpf n LYS 161 Cb 0.21 -1.42 -0.08 0.00 -1.84 0.00 0.00 35.03 31.89 1tpf n LYS 161 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1tpf s VAL 162 N -1.33 4.58 -0.07 -0.18 1.01 -0.91 -0.30 120.40 123.20 1tpf s VAL 162 Ca 0.31 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.03 1tpf s VAL 162 Cb 0.19 -2.99 0.02 0.00 0.00 0.00 0.00 36.38 33.60 1tpf s VAL 162 CO 0.26 0.51 -0.06 -0.69 0.00 0.00 0.00 175.10 175.12 1tpf s VAL 163 N -1.01 0.77 -0.09 2.92 1.01 -0.02 -4.56 120.40 119.42 1tpf s VAL 163 Ca 0.17 -0.20 -0.11 0.00 0.00 0.00 0.00 61.98 61.83 1tpf s VAL 163 Cb -0.12 -0.79 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 1tpf s VAL 163 CO 0.07 0.30 0.26 -0.63 0.00 0.00 0.00 175.10 175.09 1tpf s ILE 164 N 1.26 5.31 -0.18 2.22 -1.09 -0.49 -0.25 121.20 127.97 1tpf s ILE 164 Ca -0.05 0.48 -0.00 0.00 -2.23 0.00 0.00 60.65 58.85 1tpf s ILE 164 Cb -0.14 -3.55 0.01 0.00 -1.58 0.00 0.00 42.46 37.20 1tpf s ILE 164 CO -0.02 0.56 -0.15 0.00 -1.23 0.00 0.00 174.94 174.09 1tpf s ALA 165 N -0.70 2.49 -0.39 9.38 0.00 -0.00 0.66 121.76 133.20 1tpf s ALA 165 Ca 0.18 -1.17 -0.20 0.00 0.00 0.00 0.00 51.96 50.77 1tpf s ALA 165 Cb -0.14 -1.32 0.01 0.00 0.00 0.00 0.00 23.12 21.67 1tpf s ALA 165 CO 0.07 -0.30 0.60 -0.47 0.00 0.00 0.00 175.76 175.67 1tpf s TYR 166 N 1.23 3.13 -0.25 0.00 5.04 0.10 -1.25 117.35 125.34 1tpf s TYR 166 Ca 0.03 0.14 -0.08 0.00 -2.44 0.00 0.00 57.07 54.71 1tpf s TYR 166 Cb -0.14 -3.16 -0.03 0.00 0.35 0.00 0.00 41.96 38.98 1tpf s TYR 166 CO -0.07 -0.70 0.09 -1.21 -1.34 0.00 0.00 175.55 172.31 1tpf s GLU 167 N 2.66 3.72 -1.30 4.97 2.02 0.21 -0.66 118.70 130.32 1tpf s GLU 167 Ca 0.22 -0.45 -0.16 0.00 0.02 0.00 0.00 54.97 54.61 1tpf s GLU 167 Cb -0.15 -3.36 0.10 0.00 0.10 0.00 0.00 34.13 30.82 1tpf s GLU 167 CO 0.16 -0.15 1.74 -0.35 0.02 0.00 0.00 175.26 176.68 1tpf n PRO 168 N 4.82 3.22 -0.14 0.39 -0.04 -1.26 -3.79 135.00 138.20 1tpf n PRO 168 Ca -0.16 -3.35 0.13 0.00 -0.04 0.00 0.00 63.50 60.08 1tpf n PRO 168 Cb 0.52 -3.32 0.48 0.00 -0.04 0.00 0.00 33.50 31.13 1tpf n PRO 168 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1tpf h VAL 169 N 5.00 0.86 0.00 0.52 2.07 -1.84 0.42 116.25 123.29 1tpf h VAL 169 Ca 0.43 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.79 1tpf h VAL 169 Cb 0.82 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1tpf h VAL 169 CO 1.48 0.09 0.00 4.11 0.02 0.00 0.00 177.57 183.26 1tpf h TRP 170 N 0.47 0.00 -0.18 1.57 5.08 -1.58 -1.63 115.95 119.67 1tpf h TRP 170 Ca 0.33 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.30 1tpf h TRP 170 Cb 0.65 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.81 1tpf h TRP 170 CO -0.00 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 177.16 1tpf n ALA 171 N -1.87 2.33 -2.58 0.11 0.00 0.13 -4.58 120.51 114.05 1tpf n ALA 171 Ca -0.01 -0.87 -0.43 0.00 0.00 0.00 0.00 53.44 52.12 1tpf n ALA 171 Cb 0.09 -0.41 -0.09 0.00 0.00 0.00 0.00 19.45 19.04 1tpf n ALA 171 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1tpf s ILE 172 N -0.97 5.16 -1.57 0.00 -1.09 -0.61 -4.33 121.20 117.80 1tpf s ILE 172 Ca 0.18 -0.63 0.00 0.00 -2.23 0.00 0.00 60.65 57.97 1tpf s ILE 172 Cb 0.11 -4.04 0.00 0.00 -1.58 0.00 0.00 42.46 36.95 1tpf s ILE 172 CO 0.15 -0.45 0.00 0.61 -1.23 0.00 0.00 174.94 174.02 1tpf n GLY 173 N 5.15 1.35 0.13 6.18 0.00 -1.26 -4.85 105.19 111.89 1tpf n GLY 173 Ca -0.10 -0.30 0.08 0.00 0.00 0.00 0.00 46.02 45.70 1tpf n GLY 173 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1tpf n THR 174 N -2.72 0.00 -0.26 2.61 -2.24 -1.26 -4.96 114.28 105.45 1tpf n THR 174 Ca -0.15 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1tpf n THR 174 Cb 0.51 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.81 1tpf n THR 174 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tpf n GLY 175 N 1.31 0.95 3.92 3.38 0.00 -1.26 -5.04 105.19 108.45 1tpf n GLY 175 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 1tpf n GLY 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tpf s LYS 176 N -0.57 3.55 -0.04 1.61 3.01 -1.26 -5.11 119.74 120.94 1tpf s LYS 176 Ca 0.00 -0.20 0.06 0.00 -1.01 0.00 0.00 55.97 54.82 1tpf s LYS 176 Cb 0.00 -2.71 -0.01 0.00 -1.01 0.00 0.00 37.83 34.09 1tpf s LYS 176 CO 0.00 0.26 -0.22 0.08 0.51 0.00 0.00 175.35 175.98 1tpf s VAL 177 N -2.08 1.77 0.10 3.17 1.01 -1.26 -4.73 120.40 118.38 1tpf s VAL 177 Ca 0.41 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 61.36 1tpf s VAL 177 Cb -0.10 -1.49 -0.06 0.00 0.00 0.00 0.00 36.38 34.73 1tpf s VAL 177 CO 0.31 0.50 0.43 0.00 0.00 0.00 0.00 175.10 176.34 1tpf s ALA 178 N -0.27 3.69 0.30 5.51 0.00 -1.26 -5.05 121.76 124.68 1tpf s ALA 178 Ca 0.02 -0.34 0.09 0.00 0.00 0.00 0.00 51.96 51.73 1tpf s ALA 178 Cb -0.11 -2.32 -0.05 0.00 0.00 0.00 0.00 23.12 20.65 1tpf s ALA 178 CO 0.01 0.55 0.03 0.95 0.00 0.00 0.00 175.76 177.30 1tpf s THR 179 N -1.43 3.14 0.54 0.00 -4.23 -1.26 -4.99 115.64 107.41 1tpf s THR 179 Ca 0.35 -1.88 0.24 0.00 -1.18 0.00 0.00 61.69 59.21 1tpf s THR 179 Cb -0.14 -2.86 0.35 0.00 1.34 0.00 0.00 72.50 71.19 1tpf s THR 179 CO 0.19 -0.29 2.07 -0.65 -0.54 0.00 0.00 174.62 175.40 1tpf h PRO 180 N 1.79 0.00 -0.30 3.99 0.11 -1.99 -1.37 132.00 134.23 1tpf h PRO 180 Ca -0.44 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.54 1tpf h PRO 180 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1tpf h PRO 180 CO 0.62 0.00 -0.35 1.96 -0.21 0.00 0.00 178.00 180.03 1tpf h GLN 181 N 0.00 0.77 -0.66 1.05 7.50 -1.97 -1.05 115.11 120.75 1tpf h GLN 181 Ca 0.13 -0.42 -0.05 0.00 0.50 0.00 0.00 58.65 58.81 1tpf h GLN 181 Cb 0.58 0.02 -0.03 0.00 0.05 0.00 0.00 27.48 28.10 1tpf h GLN 181 CO -0.00 1.05 0.21 1.96 -1.50 0.00 0.00 178.83 180.55 1tpf h GLN 182 N 0.53 1.03 0.01 1.46 4.20 -1.68 -0.50 115.11 120.17 1tpf h GLN 182 Ca 0.04 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.53 1tpf h GLN 182 Cb 0.93 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.56 1tpf h GLN 182 CO 0.08 0.90 -0.02 0.00 -0.67 0.00 0.00 178.83 179.13 1tpf h ALA 183 N 1.09 -0.03 -0.91 3.87 0.00 -1.22 -0.84 119.26 121.21 1tpf h ALA 183 Ca 0.21 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.17 1tpf h ALA 183 Cb 0.30 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1tpf h ALA 183 CO -0.01 -0.52 0.58 0.37 0.00 0.00 0.00 179.25 179.68 1tpf h GLN 184 N -0.04 1.05 -0.25 0.00 5.75 -0.92 0.52 115.11 121.23 1tpf h GLN 184 Ca 0.00 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.44 1tpf h GLN 184 Cb 0.04 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 28.34 1tpf h GLN 184 CO -0.01 0.70 0.15 1.49 -2.65 0.00 0.00 178.83 178.51 1tpf h GLU 185 N 1.08 0.34 -0.47 1.69 4.81 -0.68 0.26 114.58 121.61 1tpf h GLU 185 Ca 0.38 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.53 1tpf h GLU 185 Cb 0.11 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1tpf h GLU 185 CO -0.15 0.27 0.09 0.00 -0.73 0.00 0.00 179.01 178.49 1tpf h ALA 186 N 1.05 0.62 -0.47 2.92 0.00 -0.67 -2.34 119.26 120.38 1tpf h ALA 186 Ca 0.09 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1tpf h ALA 186 Cb 0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1tpf h ALA 186 CO -0.02 0.34 0.05 0.45 0.00 0.00 0.00 179.25 180.07 1tpf h HIS 187 N 0.64 0.77 -0.67 0.00 3.86 -0.54 -2.82 115.15 116.40 1tpf h HIS 187 Ca 0.14 -0.08 -0.06 0.00 -1.16 0.00 0.00 60.37 59.21 1tpf h HIS 187 Cb 0.37 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.59 1tpf h HIS 187 CO 0.03 0.69 0.19 0.00 0.86 0.00 0.00 177.93 179.69 1tpf h ALA 188 N 1.36 0.88 -0.77 2.45 0.00 -0.27 -1.80 119.26 121.11 1tpf h ALA 188 Ca 0.15 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1tpf h ALA 188 Cb 0.36 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1tpf h ALA 188 CO 0.01 0.57 0.37 1.37 0.00 0.00 0.00 179.25 181.57 1tpf h LEU 189 N 0.98 0.99 -0.18 0.00 -0.00 -1.20 -0.09 115.31 115.81 1tpf h LEU 189 Ca 0.21 -0.11 -0.01 0.00 -0.00 0.00 0.00 57.88 57.97 1tpf h LEU 189 Cb 0.33 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 40.73 1tpf h LEU 189 CO -0.00 0.83 0.08 0.40 -0.00 0.00 0.00 178.44 179.75 1tpf h ILE 190 N 1.09 1.15 -0.58 0.15 2.04 -1.26 -1.08 117.51 119.01 1tpf h ILE 190 Ca 0.27 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 1tpf h ILE 190 Cb 0.10 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 1tpf h ILE 190 CO -0.04 0.14 0.33 -0.09 0.00 0.00 0.00 178.15 178.50 1tpf h ARG 191 N 0.15 0.79 -0.44 2.37 2.43 -0.98 -0.52 114.38 118.18 1tpf h ARG 191 Ca 0.06 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1tpf h ARG 191 Cb 0.16 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1tpf h ARG 191 CO -0.01 0.59 0.14 0.66 -1.51 0.00 0.00 179.97 179.85 1tpf h SER 192 N 0.78 0.58 -0.14 -3.80 4.64 -0.85 0.19 113.55 114.95 1tpf h SER 192 Ca 0.20 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 1tpf h SER 192 Cb 0.01 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 1tpf h SER 192 CO -0.04 0.55 0.07 -0.25 -0.87 0.00 0.00 176.83 176.30 1tpf h TRP 193 N 0.63 0.21 -0.51 4.77 7.01 -0.54 -1.42 115.95 126.10 1tpf h TRP 193 Ca 0.15 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.13 1tpf h TRP 193 Cb 0.18 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.15 1tpf h TRP 193 CO 0.01 0.25 0.27 0.28 -2.79 0.00 0.00 178.44 176.46 1tpf h VAL 194 N 0.11 1.18 -0.35 2.65 2.07 -0.39 -1.22 116.25 120.30 1tpf h VAL 194 Ca 0.05 -0.47 0.07 0.00 0.82 0.00 0.00 66.70 67.17 1tpf h VAL 194 Cb 0.12 0.56 -0.07 0.00 -1.52 0.00 0.00 31.29 30.38 1tpf h VAL 194 CO -0.01 0.19 -0.10 -1.28 0.02 0.00 0.00 177.57 176.40 1tpf h SER 195 N 0.68 -0.37 -0.05 0.57 0.87 -0.41 0.33 113.55 115.17 1tpf h SER 195 Ca 0.18 0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.83 1tpf h SER 195 Cb 0.07 0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.26 1tpf h SER 195 CO -0.03 -0.13 -0.03 0.28 -0.53 0.00 0.00 176.83 176.39 1tpf h SER 196 N -0.02 0.11 0.50 6.23 0.02 -1.06 -2.66 113.55 116.66 1tpf h SER 196 Ca 0.17 -0.43 -0.30 0.00 -0.84 0.00 0.00 61.79 60.39 1tpf h SER 196 Cb 0.28 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 1tpf h SER 196 CO -0.37 0.52 -1.56 0.11 -1.14 0.00 0.00 176.83 174.38 1tpf h LYS 197 N -0.29 0.15 0.00 3.45 1.79 -1.16 -3.42 116.57 117.09 1tpf h LYS 197 Ca 0.01 -0.26 -0.44 0.00 -2.18 0.00 0.00 60.65 57.78 1tpf h LYS 197 Cb 0.48 0.10 -0.07 0.00 -1.58 0.00 0.00 32.23 31.16 1tpf h LYS 197 CO 0.01 0.94 -2.47 -0.89 -1.08 0.00 0.00 179.45 175.96 1tpf n ILE 198 N -3.33 1.45 0.00 1.86 2.08 0.10 -5.07 119.36 116.45 1tpf n ILE 198 Ca -0.16 -0.38 0.00 0.00 0.56 0.00 0.00 62.75 62.77 1tpf n ILE 198 Cb 1.03 -1.82 0.00 0.00 -0.75 0.00 0.00 39.64 38.10 1tpf n ILE 198 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1tpf n GLY 199 N 1.42 3.85 0.16 7.39 0.00 -0.27 -4.90 105.19 112.84 1tpf n GLY 199 Ca -0.51 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.34 1tpf n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tpf h ALA 200 N 0.00 0.54 -0.19 4.61 0.00 -1.83 -1.04 119.26 121.34 1tpf h ALA 200 Ca 0.00 -0.66 -0.00 0.00 0.00 0.00 0.00 54.91 54.25 1tpf h ALA 200 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1tpf h ALA 200 CO 0.00 0.81 0.12 0.38 0.00 0.00 0.00 179.25 180.56 1tpf h ASP 201 N 0.21 0.23 -0.22 0.00 2.03 -1.93 0.16 116.42 116.90 1tpf h ASP 201 Ca -0.04 -0.05 0.00 0.00 -0.73 0.00 0.00 57.03 56.21 1tpf h ASP 201 Cb 1.41 -0.06 -0.01 0.00 -0.83 0.00 0.00 39.33 39.84 1tpf h ASP 201 CO 0.13 0.21 0.14 0.58 -1.03 0.00 0.00 179.24 179.28 1tpf h VAL 202 N 0.23 1.05 -0.57 4.15 2.07 -1.89 -2.90 116.25 118.38 1tpf h VAL 202 Ca 0.07 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1tpf h VAL 202 Cb 0.03 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1tpf h VAL 202 CO -0.01 0.05 0.36 0.00 0.02 0.00 0.00 177.57 177.99 1tpf h ALA 203 N 1.08 1.56 0.00 1.67 0.00 -0.85 -1.67 119.26 121.06 1tpf h ALA 203 Ca 0.08 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1tpf h ALA 203 Cb -0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1tpf h ALA 203 CO -0.02 0.40 -0.27 0.78 0.00 0.00 0.00 179.25 180.13 1tpf h GLY 204 N 0.80 0.00 0.51 0.00 0.00 -0.77 -3.22 103.07 100.39 1tpf h GLY 204 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1tpf h GLY 204 CO -0.04 0.00 -1.07 1.18 0.00 0.00 0.00 176.54 176.60 1tpf n GLU 205 N -3.32 0.28 -2.14 4.80 1.02 -0.98 -4.50 120.64 115.80 1tpf n GLU 205 Ca 0.01 -0.02 -0.42 0.00 -0.02 0.00 0.00 57.16 56.71 1tpf n GLU 205 Cb 0.51 -1.58 -0.03 0.00 -0.02 0.00 0.00 31.44 30.32 1tpf n GLU 205 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1tpf s LEU 206 N -3.87 4.35 -0.08 -4.62 2.96 -0.67 -4.89 118.68 111.88 1tpf s LEU 206 Ca 0.03 2.30 -0.19 0.00 -0.22 0.00 0.00 54.13 56.05 1tpf s LEU 206 Cb 0.15 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.21 1tpf s LEU 206 CO 0.81 -0.71 0.53 -0.13 -1.32 0.00 0.00 176.35 175.53 1tpf s ARG 207 N 1.67 4.32 -0.26 1.98 3.00 -1.26 -4.95 118.95 123.46 1tpf s ARG 207 Ca 0.66 0.57 0.02 0.00 0.00 0.00 0.00 55.73 56.98 1tpf s ARG 207 Cb -0.36 -3.40 0.07 0.00 0.00 0.00 0.00 34.95 31.25 1tpf s ARG 207 CO 0.29 0.22 -0.06 0.42 0.00 0.00 0.00 175.30 176.18 1tpf s ILE 208 N 0.37 1.83 0.24 1.52 1.01 -1.26 -1.40 121.20 123.51 1tpf s ILE 208 Ca 0.29 -1.51 -0.09 0.00 0.00 0.00 0.00 60.65 59.34 1tpf s ILE 208 Cb -0.16 -2.07 -0.07 0.00 0.01 0.00 0.00 42.46 40.17 1tpf s ILE 208 CO 0.13 -0.15 0.55 -0.76 0.00 0.00 0.00 174.94 174.71 1tpf s LEU 209 N 1.24 4.15 -0.21 2.97 1.43 0.21 -1.09 118.68 127.38 1tpf s LEU 209 Ca -0.05 0.90 -0.16 0.00 -1.03 0.00 0.00 54.13 53.80 1tpf s LEU 209 Cb -0.19 -3.67 -0.04 0.00 0.03 0.00 0.00 46.19 42.32 1tpf s LEU 209 CO -0.07 -0.09 0.39 -0.47 0.23 0.00 0.00 176.35 176.35 1tpf s TYR 210 N -1.85 3.36 -0.22 0.29 5.04 -0.57 0.00 117.35 123.40 1tpf s TYR 210 Ca 0.47 0.60 0.11 0.00 -2.44 0.00 0.00 57.07 55.80 1tpf s TYR 210 Cb -0.11 -2.53 0.43 0.00 0.35 0.00 0.00 41.96 40.10 1tpf s TYR 210 CO 0.22 -0.03 1.21 0.41 -1.34 0.00 0.00 175.55 176.03 1tpf n GLY 211 N 3.98 5.27 0.00 8.97 0.00 0.17 -1.49 105.19 122.09 1tpf n GLY 211 Ca -0.08 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.35 1tpf n GLY 211 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tpf n GLY 212 N -0.98 1.35 3.58 -0.02 0.00 -1.26 -4.60 105.19 103.26 1tpf n GLY 212 Ca 0.24 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 1tpf n GLY 212 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1tpf s SER 213 N -1.00 6.35 -0.07 1.61 0.15 -1.26 -4.77 113.70 114.71 1tpf s SER 213 Ca 0.00 0.24 0.04 0.00 0.70 0.00 0.00 55.95 56.94 1tpf s SER 213 Cb 0.00 -2.55 -0.01 0.00 -1.71 0.00 0.00 66.02 61.75 1tpf s SER 213 CO 0.00 -1.54 -0.21 -0.69 1.20 0.00 0.00 173.24 172.01 1tpf s VAL 214 N 5.32 2.46 0.12 4.45 1.01 -1.26 -5.03 120.40 127.47 1tpf s VAL 214 Ca 0.48 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.56 1tpf s VAL 214 Cb -0.09 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 1tpf s VAL 214 CO 0.26 0.57 0.08 -0.46 0.00 0.00 0.00 175.10 175.55 1tpf n ASN 215 N 2.91 0.12 0.20 3.32 0.23 -1.26 -4.61 115.26 116.17 1tpf n ASN 215 Ca -0.17 -1.74 0.07 0.00 -0.53 0.00 0.00 54.58 52.20 1tpf n ASN 215 Cb 0.52 0.50 0.43 0.00 -2.08 0.00 0.00 39.78 39.15 1tpf n ASN 215 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1tpf h GLY 216 N 0.65 0.00 1.56 4.83 0.00 -1.94 -2.31 103.07 105.85 1tpf h GLY 216 Ca -0.09 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.96 1tpf h GLY 216 CO 0.13 0.00 -1.30 0.50 0.00 0.00 0.00 176.54 175.87 1tpf h LYS 217 N 0.00 0.27 -0.02 4.80 1.57 -1.97 -3.37 116.57 117.85 1tpf h LYS 217 Ca -0.00 -0.46 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1tpf h LYS 217 Cb 0.73 0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.21 1tpf h LYS 217 CO 0.04 1.20 -0.29 0.27 -0.57 0.00 0.00 179.45 180.10 1tpf n ASN 218 N -3.52 2.04 -0.08 0.86 0.23 -1.22 -4.63 115.26 108.94 1tpf n ASN 218 Ca -0.10 -1.52 -0.08 0.00 -0.53 0.00 0.00 54.58 52.35 1tpf n ASN 218 Cb 1.03 0.35 -0.01 0.00 -2.08 0.00 0.00 39.78 39.07 1tpf n ASN 218 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1tpf h ALA 219 N 3.46 0.34 -0.09 -2.53 0.00 -1.58 -2.36 119.26 116.50 1tpf h ALA 219 Ca 0.00 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1tpf h ALA 219 Cb 0.69 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1tpf h ALA 219 CO 0.00 -0.25 -0.00 -0.09 0.00 0.00 0.00 179.25 178.91 1tpf h ARG 220 N 0.30 0.03 -0.61 0.00 1.12 -1.82 0.30 114.38 113.69 1tpf h ARG 220 Ca 0.12 -0.00 0.03 0.00 -1.11 0.00 0.00 59.98 59.01 1tpf h ARG 220 Cb 0.03 -0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 29.96 1tpf h ARG 220 CO -0.08 0.02 0.41 0.00 -3.11 0.00 0.00 179.97 177.21 1tpf h THR 221 N 0.03 1.10 -0.24 0.20 1.03 -1.83 -1.41 112.91 111.78 1tpf h THR 221 Ca 0.04 -0.26 -0.12 0.00 -0.01 0.00 0.00 66.41 66.06 1tpf h THR 221 Cb 0.05 0.28 -0.00 0.00 -1.07 0.00 0.00 68.15 67.41 1tpf h THR 221 CO -0.07 0.14 -0.33 -0.07 -0.01 0.00 0.00 175.52 175.18 1tpf h LEU 222 N 0.75 0.71 -1.96 0.00 3.38 -0.83 -3.07 115.31 114.28 1tpf h LEU 222 Ca 0.24 -0.51 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 1tpf h LEU 222 Cb 0.04 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 1tpf h LEU 222 CO -0.06 1.07 -0.01 0.22 0.09 0.00 0.00 178.44 179.75 1tpf h TYR 223 N 0.36 0.01 -0.54 1.13 3.20 0.49 -2.25 116.97 119.37 1tpf h TYR 223 Ca 0.03 0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.00 1tpf h TYR 223 Cb 0.91 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.14 1tpf h TYR 223 CO 0.08 0.02 0.37 1.96 -1.64 0.00 0.00 178.16 178.95 1tpf h GLN 224 N 0.01 0.29 -6.58 1.82 4.20 -1.19 -3.44 115.11 110.22 1tpf h GLN 224 Ca 0.00 -0.02 -0.58 0.00 0.06 0.00 0.00 58.65 58.11 1tpf h GLN 224 Cb 0.03 -0.06 0.08 0.00 0.30 0.00 0.00 27.48 27.82 1tpf h GLN 224 CO 0.00 0.19 0.66 1.04 -0.67 0.00 0.00 178.83 180.05 1tpf n GLN 225 N -4.46 2.08 -0.14 1.46 1.13 -0.85 -4.87 117.38 111.73 1tpf n GLN 225 Ca 0.09 0.74 0.17 0.00 -1.94 0.00 0.00 57.00 56.06 1tpf n GLN 225 Cb 0.40 -2.43 0.55 0.00 0.11 0.00 0.00 30.24 28.87 1tpf n GLN 225 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1tpf h ARG 226 N 4.60 0.30 -0.52 -1.09 3.08 -1.90 -2.53 114.38 116.33 1tpf h ARG 226 Ca -0.45 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1tpf h ARG 226 Cb 1.27 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1tpf h ARG 226 CO 0.79 0.20 0.00 -0.25 -1.07 0.00 0.00 179.97 179.63 1tpf n ASP 227 N -4.45 3.62 -4.62 7.04 8.00 -1.26 -4.92 116.55 119.96 1tpf n ASP 227 Ca 0.14 -2.14 -0.39 0.00 0.71 0.00 0.00 54.79 53.11 1tpf n ASP 227 Cb 0.59 -0.39 -0.08 0.00 -0.02 0.00 0.00 41.12 41.21 1tpf n ASP 227 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1tpf s VAL 228 N -1.26 5.15 -0.20 2.53 1.01 -0.95 -4.67 120.40 122.01 1tpf s VAL 228 Ca 0.37 0.67 0.16 0.00 0.00 0.00 0.00 61.98 63.18 1tpf s VAL 228 Cb 0.21 -3.74 0.53 0.00 0.00 0.00 0.00 36.38 33.38 1tpf s VAL 228 CO 0.23 0.15 1.43 0.59 0.00 0.00 0.00 175.10 177.50 1tpf n ASN 229 N 5.25 3.67 0.00 3.32 4.13 -0.25 -4.86 115.26 126.53 1tpf n ASN 229 Ca -0.07 -3.13 0.00 0.00 1.68 0.00 0.00 54.58 53.06 1tpf n ASN 229 Cb 0.51 -0.56 0.00 0.00 -1.54 0.00 0.00 39.78 38.18 1tpf n ASN 229 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1tpf n GLY 230 N -0.62 0.90 3.07 7.41 0.00 -1.26 -1.88 105.19 112.81 1tpf n GLY 230 Ca 0.23 -1.87 -0.08 0.00 0.00 0.00 0.00 46.02 44.31 1tpf n GLY 230 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tpf s PHE 231 N -2.43 0.49 -0.36 1.61 0.08 -0.26 -1.51 117.98 115.61 1tpf s PHE 231 Ca 0.00 -0.95 0.04 0.00 0.12 0.00 0.00 56.93 56.14 1tpf s PHE 231 Cb 0.00 -0.36 0.10 0.00 -0.57 0.00 0.00 43.02 42.20 1tpf s PHE 231 CO 0.00 -0.33 0.07 -1.17 -0.10 0.00 0.00 175.22 173.69 1tpf s LEU 232 N -2.62 4.74 -0.05 -0.37 2.96 -0.56 -0.57 118.68 122.21 1tpf s LEU 232 Ca 0.02 -2.23 -0.11 0.00 -0.22 0.00 0.00 54.13 51.59 1tpf s LEU 232 Cb 0.04 -1.63 -0.05 0.00 0.50 0.00 0.00 46.19 45.05 1tpf s LEU 232 CO -0.08 -0.37 0.28 -0.69 -1.32 0.00 0.00 176.35 174.17 1tpf s VAL 233 N 0.80 5.25 0.00 1.68 1.01 0.17 -4.39 120.40 124.93 1tpf s VAL 233 Ca 0.11 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.62 1tpf s VAL 233 Cb -0.20 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1tpf s VAL 233 CO -0.07 0.59 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1tpf n GLY 234 N 1.85 0.62 0.33 4.51 0.00 -1.26 -0.21 105.19 111.03 1tpf n GLY 234 Ca -0.17 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.07 1tpf n GLY 234 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1tpf h GLY 235 N 0.00 1.93 2.00 -0.02 0.00 -1.93 -1.13 103.07 103.92 1tpf h GLY 235 Ca 0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 1tpf h GLY 235 CO 0.00 -0.43 -0.00 0.00 0.00 0.00 0.00 176.54 176.10 1tpf h ALA 236 N 1.82 1.01 0.00 3.60 0.00 -1.90 -2.82 119.26 120.98 1tpf h ALA 236 Ca 0.69 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.60 1tpf h ALA 236 Cb 1.51 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1tpf h ALA 236 CO -0.59 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 177.53 1tpf n SER 237 N -3.10 0.38 -1.53 0.00 3.41 -0.43 -2.01 113.62 110.34 1tpf n SER 237 Ca -0.02 0.57 0.08 0.00 -0.26 0.00 0.00 58.87 59.25 1tpf n SER 237 Cb 0.16 -0.66 0.34 0.00 -0.26 0.00 0.00 64.21 63.79 1tpf n SER 237 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1tpf n LEU 238 N -1.90 4.52 -4.24 1.04 4.77 -1.06 -4.89 117.00 115.25 1tpf n LEU 238 Ca 0.04 -2.28 -0.14 0.00 -0.03 0.00 0.00 56.01 53.60 1tpf n LEU 238 Cb 0.26 -0.57 -0.10 0.00 -2.33 0.00 0.00 43.42 40.68 1tpf n LEU 238 CO 0.20 0.73 -0.41 -0.54 -1.33 0.00 0.00 177.39 176.05 1tpf s LYS 239 N -1.91 1.02 0.49 3.23 1.02 -0.85 -5.02 119.74 117.72 1tpf s LYS 239 Ca 0.47 -1.42 0.17 0.00 0.02 0.00 0.00 55.97 55.21 1tpf s LYS 239 Cb 0.31 -0.56 1.19 0.00 -0.52 0.00 0.00 37.83 38.26 1tpf s LYS 239 CO 0.22 0.06 2.06 -1.35 -0.92 0.00 0.00 175.35 175.42 1tpf h PRO 240 N 2.84 0.16 0.00 -1.68 0.11 -1.92 -0.12 132.00 131.38 1tpf h PRO 240 Ca -0.36 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1tpf h PRO 240 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1tpf h PRO 240 CO 0.63 0.11 0.24 1.49 -0.21 0.00 0.00 178.00 180.26 1tpf h GLU 241 N 0.16 0.00 0.00 1.05 4.81 -1.96 0.22 114.58 118.87 1tpf h GLU 241 Ca 0.14 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1tpf h GLU 241 Cb 0.36 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 1tpf h GLU 241 CO -0.02 0.00 -0.00 0.35 -0.73 0.00 0.00 179.01 178.60 1tpf h PHE 242 N 0.00 0.00 -0.59 0.92 3.57 -1.05 -1.43 116.94 118.36 1tpf h PHE 242 Ca 0.00 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 1tpf h PHE 242 Cb 0.48 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 1tpf h PHE 242 CO 0.00 0.00 0.17 0.28 -2.23 0.00 0.00 178.31 176.53 1tpf h VAL 243 N 0.00 1.25 -0.78 1.41 2.07 -1.17 -1.11 116.25 117.91 1tpf h VAL 243 Ca -0.00 -0.86 0.01 0.00 0.82 0.00 0.00 66.70 66.67 1tpf h VAL 243 Cb 0.01 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 1tpf h VAL 243 CO 0.00 0.32 0.51 0.44 0.02 0.00 0.00 177.57 178.87 1tpf h ASP 244 N 0.85 0.88 -0.73 0.57 3.32 -1.45 -1.43 116.42 118.43 1tpf h ASP 244 Ca 0.19 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1tpf h ASP 244 Cb 0.32 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.62 1tpf h ASP 244 CO -0.00 0.63 0.47 0.40 -1.72 0.00 0.00 179.24 179.02 1tpf h ILE 245 N 1.04 1.20 -0.77 0.35 2.04 -1.03 -1.75 117.51 118.59 1tpf h ILE 245 Ca 0.29 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 1tpf h ILE 245 Cb -0.10 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.09 1tpf h ILE 245 CO -0.07 0.19 0.31 0.40 0.00 0.00 0.00 178.15 178.98 1tpf h ILE 246 N 0.99 1.26 0.00 -0.67 2.04 -0.50 -2.86 117.51 117.77 1tpf h ILE 246 Ca 0.27 -0.81 -0.04 0.00 1.00 0.00 0.00 64.86 65.28 1tpf h ILE 246 Cb -0.08 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 1tpf h ILE 246 CO -0.05 0.33 -0.19 0.11 0.00 0.00 0.00 178.15 178.34 1tpf h LYS 247 N 1.11 0.00 0.00 2.37 1.57 -0.80 -2.34 116.57 118.48 1tpf h LYS 247 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1tpf h LYS 247 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1tpf h LYS 247 CO -0.02 0.19 0.00 0.00 -0.57 0.00 0.00 179.45 179.05 1tpf n ALA 248 N -2.40 1.82 0.74 3.86 0.00 -0.70 -2.08 120.51 121.75 1tpf n ALA 248 Ca -0.02 -0.06 0.06 0.00 0.00 0.00 0.00 53.44 53.42 1tpf n ALA 248 Cb 0.28 -1.28 0.17 0.00 0.00 0.00 0.00 19.45 18.61 1tpf n ALA 248 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1tpf n THR 249 N -1.47 0.57 1.67 0.00 -2.24 -0.88 -4.65 114.28 107.27 1tpf n THR 249 Ca 0.05 -0.52 0.13 0.00 -2.27 0.00 0.00 64.05 61.44 1tpf n THR 249 Cb 0.20 0.21 0.79 0.00 -2.10 0.00 0.00 70.33 69.42 1tpf n THR 249 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50