#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2phw s SER 3 N 0.00 1.24 -0.16 -2.24 1.04 -1.26 -1.20 113.70 111.13 2phw s SER 3 Ca 0.00 -0.45 -0.12 0.00 0.48 0.00 0.00 55.95 55.86 2phw s SER 3 Cb 0.00 -0.05 0.05 0.00 0.10 0.00 0.00 66.02 66.12 2phw s SER 3 CO 0.00 -0.05 0.40 -0.22 0.98 0.00 0.00 173.24 174.35 2phw s LEU 4 N -1.20 0.30 -0.02 2.42 2.96 -0.58 -5.01 118.68 117.55 2phw s LEU 4 Ca -0.03 0.83 -0.15 0.00 -0.22 0.00 0.00 54.13 54.57 2phw s LEU 4 Cb -0.08 1.36 0.02 0.00 0.50 0.00 0.00 46.19 48.00 2phw s LEU 4 CO 0.01 -0.16 0.31 -0.94 -1.32 0.00 0.00 176.35 174.25 2phw s SER 5 N 0.58 -0.19 0.01 3.68 1.04 -1.26 -0.90 113.70 116.66 2phw s SER 5 Ca -0.03 0.10 -0.20 0.00 0.48 0.00 0.00 55.95 56.30 2phw s SER 5 Cb -0.05 0.32 0.04 0.00 0.10 0.00 0.00 66.02 66.44 2phw s SER 5 CO -0.04 -0.44 0.45 0.72 0.98 0.00 0.00 173.24 174.92 2phw s PHE 6 N -1.29 -0.34 -0.02 5.02 -0.12 -0.24 -5.00 117.98 115.99 2phw s PHE 6 Ca -0.13 0.44 -0.00 0.00 -0.05 0.00 0.00 56.93 57.18 2phw s PHE 6 Cb -0.05 0.24 0.03 0.00 -0.63 0.00 0.00 43.02 42.61 2phw s PHE 6 CO 0.04 -0.55 0.03 0.20 -0.05 0.00 0.00 175.22 174.89 2phw s GLY 7 N -1.70 0.08 -0.49 1.99 0.00 -1.26 -0.92 107.32 105.02 2phw s GLY 7 Ca -0.08 0.28 0.03 0.00 0.00 0.00 0.00 44.72 44.95 2phw s GLY 7 CO 0.01 0.63 0.24 -1.36 0.00 0.00 0.00 173.10 172.62 2phw s PHE 8 N 0.95 3.36 0.39 1.90 0.40 0.17 -4.95 117.98 120.21 2phw s PHE 8 Ca -0.08 -3.03 0.11 0.00 -0.60 0.00 0.00 56.93 53.32 2phw s PHE 8 Cb -0.11 -2.92 0.80 0.00 0.51 0.00 0.00 43.02 41.30 2phw s PHE 8 CO -0.03 -0.81 1.91 -1.35 0.70 0.00 0.00 175.22 175.64 2phw h PRO 9 N 6.89 0.17 -3.92 0.24 0.11 -1.90 -0.55 132.00 133.03 2phw h PRO 9 Ca -0.06 -0.04 -0.19 0.00 0.11 0.00 0.00 66.00 65.81 2phw h PRO 9 Cb 0.93 -0.02 -0.08 0.00 0.11 0.00 0.00 31.00 31.94 2phw h PRO 9 CO 0.66 0.35 -0.15 0.95 -0.21 0.00 0.00 178.00 179.60 2phw s THR 10 N -4.63 0.00 -0.63 -1.15 -4.23 -1.26 -4.50 115.64 99.24 2phw s THR 10 Ca -0.05 -1.51 0.05 0.00 -1.18 0.00 0.00 61.69 58.99 2phw s THR 10 Cb 0.15 -2.55 0.16 0.00 1.34 0.00 0.00 72.50 71.61 2phw s THR 10 CO 0.73 0.00 0.43 -0.36 -0.54 0.00 0.00 174.62 174.88 2phw s PHE 11 N -3.28 3.07 0.82 3.99 0.08 0.07 -4.97 117.98 117.75 2phw s PHE 11 Ca 0.27 -3.12 -0.13 0.00 0.12 0.00 0.00 56.93 54.08 2phw s PHE 11 Cb -0.01 -2.40 0.09 0.00 -0.57 0.00 0.00 43.02 40.13 2phw s PHE 11 CO 0.16 -0.62 1.20 -2.14 -0.10 0.00 0.00 175.22 173.72 2phw s PRO 12 N -1.01 1.59 0.54 0.24 0.02 -1.26 -3.59 135.00 131.52 2phw s PRO 12 Ca 0.25 1.72 0.19 0.00 0.02 0.00 0.00 61.00 63.18 2phw s PRO 12 Cb -0.07 -1.77 1.39 0.00 0.02 0.00 0.00 34.50 34.07 2phw s PRO 12 CO -0.14 -2.24 2.17 0.77 -0.33 0.00 0.00 177.00 177.22 2phw h SER 13 N -1.01 0.00 -0.90 2.53 0.02 -1.96 -3.36 113.55 108.87 2phw h SER 13 Ca -0.46 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 59.82 2phw h SER 13 Cb 1.29 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.75 2phw h SER 13 CO 0.46 0.00 2.15 -0.62 -1.14 0.00 0.00 176.83 177.68 2phw s ASP 14 N -6.86 6.82 -0.09 3.07 3.68 -1.26 -4.97 116.67 117.06 2phw s ASP 14 Ca -0.05 -2.40 -0.02 0.00 2.13 0.00 0.00 52.55 52.21 2phw s ASP 14 Cb 0.17 -2.58 -0.03 0.00 -1.45 0.00 0.00 42.92 39.03 2phw s ASP 14 CO 0.64 -1.18 0.01 -1.10 0.13 0.00 0.00 175.17 173.67 2phw s GLN 15 N 4.22 3.01 0.00 4.34 -1.52 -1.26 -5.00 119.66 123.45 2phw s GLN 15 Ca 0.53 -0.39 0.00 0.00 -1.95 0.00 0.00 55.36 53.55 2phw s GLN 15 Cb 0.04 -2.82 0.00 0.00 -0.22 0.00 0.00 33.01 30.01 2phw s GLN 15 CO 0.07 0.71 0.00 1.63 -0.25 0.00 0.00 175.29 177.45 2phw n LYS 16 N 2.13 2.72 -0.63 2.91 4.76 -1.26 -4.81 118.16 123.97 2phw n LYS 16 Ca -0.19 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.33 2phw n LYS 16 Cb 0.54 -0.93 0.32 0.00 -1.84 0.00 0.00 35.03 33.12 2phw n LYS 16 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2phw n ASN 17 N -1.66 4.67 -4.48 4.39 3.02 -1.26 -4.97 115.26 114.97 2phw n ASN 17 Ca 0.00 -2.96 -0.33 0.00 -0.03 0.00 0.00 54.58 51.26 2phw n ASN 17 Cb 0.31 -0.60 -0.13 0.00 -0.61 0.00 0.00 39.78 38.75 2phw n ASN 17 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2phw s LEU 18 N -2.77 2.82 -0.34 3.41 1.43 -1.26 -0.43 118.68 121.55 2phw s LEU 18 Ca 0.47 -0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 53.27 2phw s LEU 18 Cb 0.37 -1.59 -0.01 0.00 0.03 0.00 0.00 46.19 44.99 2phw s LEU 18 CO 0.12 0.32 0.22 -0.63 0.23 0.00 0.00 176.35 176.62 2phw s ILE 19 N -0.59 5.13 -0.12 -0.59 1.01 0.42 -4.91 121.20 121.55 2phw s ILE 19 Ca 0.09 -0.29 -0.15 0.00 0.00 0.00 0.00 60.65 60.30 2phw s ILE 19 Cb -0.11 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.67 2phw s ILE 19 CO 0.01 -0.01 0.35 -0.36 0.00 0.00 0.00 174.94 174.93 2phw s PHE 20 N 1.69 3.53 0.06 3.97 0.08 -1.26 -1.53 117.98 124.52 2phw s PHE 20 Ca 0.06 0.74 0.06 0.00 0.12 0.00 0.00 56.93 57.90 2phw s PHE 20 Cb -0.17 -2.37 -0.03 0.00 -0.57 0.00 0.00 43.02 39.88 2phw s PHE 20 CO 0.10 0.32 -0.15 -0.65 -0.10 0.00 0.00 175.22 174.73 2phw s GLN 21 N 0.16 0.94 5.75 0.44 -0.21 -0.02 -5.01 119.66 121.71 2phw s GLN 21 Ca 0.20 -0.91 0.00 0.00 0.02 0.00 0.00 55.36 54.67 2phw s GLN 21 Cb -0.14 -0.99 0.00 0.00 1.00 0.00 0.00 33.01 32.88 2phw s GLN 21 CO 0.07 0.23 0.00 0.41 -2.12 0.00 0.00 175.29 173.88 2phw n GLY 22 N 1.51 2.11 0.51 3.09 0.00 -1.26 -1.43 105.19 109.73 2phw n GLY 22 Ca -0.20 -0.51 0.12 0.00 0.00 0.00 0.00 46.02 45.43 2phw n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2phw n ASP 23 N 3.01 1.56 -4.73 1.61 8.00 0.15 -4.93 116.55 121.22 2phw n ASP 23 Ca 0.00 -1.60 -0.42 0.00 0.71 0.00 0.00 54.79 53.48 2phw n ASP 23 Cb 0.00 -0.06 -0.02 0.00 -0.02 0.00 0.00 41.12 41.02 2phw n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2phw n ALA 24 N 0.23 2.42 -3.35 2.24 0.00 -1.17 -4.47 120.51 116.41 2phw n ALA 24 Ca 0.18 0.38 -0.13 0.00 0.00 0.00 0.00 53.44 53.87 2phw n ALA 24 Cb 0.34 -2.45 -0.03 0.00 0.00 0.00 0.00 19.45 17.30 2phw n ALA 24 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2phw s GLN 25 N -0.12 1.19 -0.01 0.00 -2.07 -0.78 -4.74 119.66 113.15 2phw s GLN 25 Ca 0.67 -0.41 -0.22 0.00 -1.82 0.00 0.00 55.36 53.58 2phw s GLN 25 Cb -0.52 0.55 -0.05 0.00 -1.09 0.00 0.00 33.01 31.90 2phw s GLN 25 CO 0.45 -0.49 0.65 0.42 -1.32 0.00 0.00 175.29 175.00 2phw s ILE 26 N -3.36 4.90 -0.18 3.63 -1.09 -1.26 -0.49 121.20 123.35 2phw s ILE 26 Ca -0.01 1.36 -0.09 0.00 -2.23 0.00 0.00 60.65 59.69 2phw s ILE 26 Cb -0.00 -3.99 0.07 0.00 -1.58 0.00 0.00 42.46 36.95 2phw s ILE 26 CO -0.09 0.37 0.43 -0.54 -1.23 0.00 0.00 174.94 173.88 2phw s LYS 27 N 0.03 0.40 -1.33 2.79 3.01 -0.36 -4.93 119.74 119.35 2phw s LYS 27 Ca 0.34 0.86 -0.02 0.00 -1.01 0.00 0.00 55.97 56.13 2phw s LYS 27 Cb -0.19 0.05 0.01 0.00 -1.01 0.00 0.00 37.83 36.69 2phw s LYS 27 CO 0.19 -0.17 0.81 0.09 0.51 0.00 0.00 175.35 176.77 2phw n ASN 28 N 4.46 -2.08 -1.58 2.83 4.13 -1.26 -2.25 115.26 119.51 2phw n ASN 28 Ca -0.21 -0.77 -0.21 0.00 1.68 0.00 0.00 54.58 55.08 2phw n ASN 28 Cb 0.54 -4.25 -0.09 0.00 -1.54 0.00 0.00 39.78 34.45 2phw n ASN 28 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2phw n ASN 29 N -3.03 -5.48 -4.14 6.41 4.13 -1.26 -4.96 115.26 106.92 2phw n ASN 29 Ca -0.23 0.51 -0.09 0.00 1.68 0.00 0.00 54.58 56.44 2phw n ASN 29 Cb 0.65 -4.80 -0.10 0.00 -1.54 0.00 0.00 39.78 33.99 2phw n ASN 29 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2phw s ALA 30 N -2.76 0.82 -0.27 5.41 0.00 -0.95 -0.75 121.76 123.26 2phw s ALA 30 Ca 0.00 -1.38 -0.15 0.00 0.00 0.00 0.00 51.96 50.42 2phw s ALA 30 Cb 0.00 0.53 -0.04 0.00 0.00 0.00 0.00 23.12 23.62 2phw s ALA 30 CO 0.00 -0.39 0.39 0.08 0.00 0.00 0.00 175.76 175.84 2phw s VAL 31 N -3.90 5.16 -0.53 0.00 1.01 -0.52 -1.22 120.40 120.40 2phw s VAL 31 Ca 0.17 0.61 -0.18 0.00 0.00 0.00 0.00 61.98 62.58 2phw s VAL 31 Cb 0.07 -3.72 0.08 0.00 0.00 0.00 0.00 36.38 32.81 2phw s VAL 31 CO -0.03 0.14 0.59 -1.10 0.00 0.00 0.00 175.10 174.70 2phw s GLN 32 N 2.11 3.06 0.23 2.72 -1.52 0.36 -1.00 119.66 125.62 2phw s GLN 32 Ca 0.16 -1.20 -0.02 0.00 -1.95 0.00 0.00 55.36 52.35 2phw s GLN 32 Cb -0.16 -4.17 0.25 0.00 -0.22 0.00 0.00 33.01 28.71 2phw s GLN 32 CO 0.10 -1.28 1.66 -0.07 -0.25 0.00 0.00 175.29 175.44 2phw h LEU 33 N 9.49 0.70 -9.43 2.90 3.38 -1.62 -2.07 115.31 118.65 2phw h LEU 33 Ca -0.29 -0.25 -0.65 0.00 0.09 0.00 0.00 57.88 56.78 2phw h LEU 33 Cb 1.10 -0.19 -0.13 0.00 0.09 0.00 0.00 40.66 41.53 2phw h LEU 33 CO 0.99 0.91 -0.67 0.42 0.09 0.00 0.00 178.44 180.18 2phw s THR 34 N -4.57 3.94 0.51 0.22 -4.23 -1.26 -3.04 115.64 107.20 2phw s THR 34 Ca -0.09 -0.99 -0.23 0.00 -1.18 0.00 0.00 61.69 59.20 2phw s THR 34 Cb 0.13 -2.86 -0.07 0.00 1.34 0.00 0.00 72.50 71.04 2phw s THR 34 CO 0.82 0.14 1.32 1.17 -0.54 0.00 0.00 174.62 177.53 2phw n LYS 35 N 0.65 1.76 -4.17 3.99 4.81 -1.26 -4.77 118.16 119.18 2phw n LYS 35 Ca -0.11 0.64 -0.12 0.00 -0.87 0.00 0.00 58.31 57.84 2phw n LYS 35 Cb 0.52 -2.50 -0.10 0.00 0.02 0.00 0.00 35.03 32.96 2phw n LYS 35 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 2phw s THR 36 N -1.27 0.81 0.00 3.15 -4.23 -1.26 -2.99 115.64 109.85 2phw s THR 36 Ca 0.68 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 59.40 2phw s THR 36 Cb -0.44 -1.51 0.00 0.00 1.34 0.00 0.00 72.50 71.88 2phw s THR 36 CO 0.52 -0.72 0.00 -0.90 -0.54 0.00 0.00 174.62 172.98 2phw n ASP 37 N 0.24 0.00 -0.21 3.99 5.68 0.05 -4.89 116.55 121.42 2phw n ASP 37 Ca -0.14 -0.68 -0.08 0.00 -0.50 0.00 0.00 54.79 53.39 2phw n ASP 37 Cb 0.59 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.60 2phw n ASP 37 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2phw h SER 38 N 0.00 0.93 0.66 -1.12 0.02 -2.02 -2.00 113.55 110.02 2phw h SER 38 Ca 0.00 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 2phw h SER 38 Cb 0.00 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.29 2phw h SER 38 CO 0.00 0.95 0.00 0.78 -1.14 0.00 0.00 176.83 177.42 2phw h ASN 39 N 0.87 0.00 0.00 3.07 4.21 -2.04 -3.45 115.58 118.24 2phw h ASN 39 Ca 0.18 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.69 2phw h ASN 39 Cb 0.41 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.61 2phw h ASN 39 CO 0.01 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.76 2phw n GLY 40 N -0.22 0.91 3.85 2.83 0.00 -0.75 -5.08 105.19 106.72 2phw n GLY 40 Ca 0.01 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 2phw n GLY 40 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2phw s ASN 41 N -2.00 6.81 0.60 1.61 0.02 -1.26 -4.71 114.94 116.00 2phw s ASN 41 Ca 0.00 1.20 -0.18 0.00 -1.02 0.00 0.00 52.86 52.86 2phw s ASN 41 Cb 0.00 -2.34 -0.03 0.00 0.02 0.00 0.00 41.25 38.90 2phw s ASN 41 CO 0.00 -0.09 1.17 -2.16 0.02 0.00 0.00 177.10 176.04 2phw s PRO 42 N -2.61 3.00 0.20 -0.60 0.04 -1.26 -0.77 135.00 133.00 2phw s PRO 42 Ca 0.48 1.70 0.08 0.00 0.04 0.00 0.00 61.00 63.30 2phw s PRO 42 Cb -0.12 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 2phw s PRO 42 CO 0.19 -1.15 -0.16 0.14 0.04 0.00 0.00 177.00 176.06 2phw s VAL 43 N -1.78 1.82 0.79 -0.36 -7.23 -1.16 -4.83 120.40 107.65 2phw s VAL 43 Ca 0.74 -2.15 -0.12 0.00 -1.81 0.00 0.00 61.98 58.64 2phw s VAL 43 Cb -0.27 -2.01 0.07 0.00 0.56 0.00 0.00 36.38 34.73 2phw s VAL 43 CO 0.33 -0.51 1.13 0.00 -0.31 0.00 0.00 175.10 175.74 2phw s ALA 44 N -2.70 2.51 -0.95 1.32 0.00 -1.26 -4.55 121.76 116.13 2phw s ALA 44 Ca 0.21 -0.45 -0.09 0.00 0.00 0.00 0.00 51.96 51.63 2phw s ALA 44 Cb -0.02 -3.02 -0.01 0.00 0.00 0.00 0.00 23.12 20.07 2phw s ALA 44 CO 0.07 -1.61 0.73 0.43 0.00 0.00 0.00 175.76 175.39 2phw n SER 45 N -3.31 -6.05 -3.87 0.00 7.64 -0.05 -4.98 113.62 102.99 2phw n SER 45 Ca 0.07 -0.71 -0.11 0.00 1.01 0.00 0.00 58.87 59.13 2phw n SER 45 Cb 0.59 -3.69 -0.11 0.00 -1.01 0.00 0.00 64.21 59.98 2phw n SER 45 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2phw s THR 46 N -3.22 0.05 0.00 0.44 -1.32 -0.61 -5.00 115.64 105.98 2phw s THR 46 Ca 0.23 -0.40 0.00 0.00 -1.21 0.00 0.00 61.69 60.31 2phw s THR 46 Cb -0.07 -0.28 -0.00 0.00 -1.51 0.00 0.00 72.50 70.63 2phw s THR 46 CO 0.83 -0.22 -0.01 -0.69 -2.21 0.00 0.00 174.62 172.32 2phw s VAL 47 N -0.72 0.06 -0.13 5.08 1.01 -1.26 -1.15 120.40 123.28 2phw s VAL 47 Ca -0.08 -0.18 -0.24 0.00 0.00 0.00 0.00 61.98 61.47 2phw s VAL 47 Cb -0.05 -0.08 0.06 0.00 0.00 0.00 0.00 36.38 36.31 2phw s VAL 47 CO 0.00 -0.08 0.60 -0.83 0.00 0.00 0.00 175.10 174.80 2phw s GLY 48 N -0.27 -0.47 0.08 4.51 0.00 -0.83 0.34 107.32 110.67 2phw s GLY 48 Ca -0.03 1.39 -0.07 0.00 0.00 0.00 0.00 44.72 46.01 2phw s GLY 48 CO -0.00 1.10 0.14 0.50 0.00 0.00 0.00 173.10 174.84 2phw s ARG 49 N -0.50 0.79 0.03 2.90 0.52 -0.51 -1.62 118.95 120.55 2phw s ARG 49 Ca -0.06 -1.01 0.01 0.00 -0.52 0.00 0.00 55.73 54.14 2phw s ARG 49 Cb -0.03 0.31 -0.02 0.00 0.52 0.00 0.00 34.95 35.74 2phw s ARG 49 CO 0.05 -0.23 -0.05 0.96 0.02 0.00 0.00 175.30 176.05 2phw s ILE 50 N -3.86 0.29 0.02 1.52 -4.36 -0.51 -0.84 121.20 113.47 2phw s ILE 50 Ca 0.05 -0.85 0.01 0.00 -0.26 0.00 0.00 60.65 59.60 2phw s ILE 50 Cb 0.05 -0.38 -0.01 0.00 1.25 0.00 0.00 42.46 43.37 2phw s ILE 50 CO -0.11 -0.37 -0.05 -0.76 0.24 0.00 0.00 174.94 173.89 2phw s LEU 51 N -1.29 2.13 0.30 0.37 1.43 -0.58 -1.27 118.68 119.76 2phw s LEU 51 Ca -0.11 -0.31 -0.28 0.00 -1.03 0.00 0.00 54.13 52.39 2phw s LEU 51 Cb -0.09 -0.14 -0.09 0.00 0.03 0.00 0.00 46.19 45.90 2phw s LEU 51 CO -0.00 -0.10 1.05 0.12 0.23 0.00 0.00 176.35 177.65 2phw s PHE 52 N -0.77 3.62 0.18 0.29 5.36 -0.67 -0.43 117.98 125.55 2phw s PHE 52 Ca -0.05 1.74 -0.09 0.00 -0.96 0.00 0.00 56.93 57.57 2phw s PHE 52 Cb -0.06 -3.17 0.07 0.00 -0.34 0.00 0.00 43.02 39.52 2phw s PHE 52 CO -0.00 -0.31 1.63 0.66 -1.46 0.00 0.00 175.22 175.75 2phw h SER 53 N 3.61 1.05 -3.57 6.13 4.64 -1.09 -3.43 113.55 120.88 2phw h SER 53 Ca -0.47 -0.31 -0.52 0.00 -0.47 0.00 0.00 61.79 60.02 2phw h SER 53 Cb 1.21 -0.28 0.03 0.00 -0.31 0.00 0.00 62.40 63.05 2phw h SER 53 CO 0.66 1.11 0.58 0.00 -0.87 0.00 0.00 176.83 178.32 2phw s ALA 54 N -4.98 3.47 0.32 5.18 0.00 -1.26 -5.00 121.76 119.49 2phw s ALA 54 Ca -0.12 1.04 -0.26 0.00 0.00 0.00 0.00 51.96 52.62 2phw s ALA 54 Cb 0.14 -3.43 -0.10 0.00 0.00 0.00 0.00 23.12 19.73 2phw s ALA 54 CO 0.86 -0.43 0.95 -0.65 0.00 0.00 0.00 175.76 176.49 2phw s GLN 55 N -0.66 4.59 -0.17 0.00 -0.21 -1.26 -4.81 119.66 117.14 2phw s GLN 55 Ca 0.52 1.36 -0.08 0.00 0.02 0.00 0.00 55.36 57.17 2phw s GLN 55 Cb -0.35 -2.84 -0.04 0.00 1.00 0.00 0.00 33.01 30.78 2phw s GLN 55 CO 0.40 0.28 0.10 0.08 -2.12 0.00 0.00 175.29 174.04 2phw s VAL 56 N -1.57 5.15 -0.75 1.09 1.01 0.60 -4.91 120.40 121.02 2phw s VAL 56 Ca 0.50 0.09 -0.21 0.00 0.00 0.00 0.00 61.98 62.36 2phw s VAL 56 Cb -0.20 -3.31 0.10 0.00 0.00 0.00 0.00 36.38 32.97 2phw s VAL 56 CO 0.25 0.49 1.00 -2.28 0.00 0.00 0.00 175.10 174.55 2phw s HIS 57 N 0.05 2.87 0.14 5.22 2.46 -1.26 -1.09 115.29 123.68 2phw s HIS 57 Ca 0.08 -0.91 -0.06 0.00 0.47 0.00 0.00 55.06 54.64 2phw s HIS 57 Cb -0.12 -4.26 -0.04 0.00 -0.13 0.00 0.00 32.58 28.03 2phw s HIS 57 CO -0.00 -1.55 1.37 1.25 -2.47 0.00 0.00 174.74 173.34 2phw h LEU 58 N 10.86 0.67 -7.11 8.88 5.85 -0.97 -3.42 115.31 130.06 2phw h LEU 58 Ca -0.12 -0.45 -0.05 0.00 0.84 0.00 0.00 57.88 58.10 2phw h LEU 58 Cb 1.06 -0.20 -0.15 0.00 0.37 0.00 0.00 40.66 41.73 2phw h LEU 58 CO 1.15 1.22 0.12 -1.66 -0.34 0.00 0.00 178.44 178.92 2phw s TRP 59 N -3.63 -0.50 -0.19 1.25 1.48 -1.14 0.12 118.94 116.32 2phw s TRP 59 Ca -0.07 0.56 -0.00 0.00 -1.06 0.00 0.00 56.10 55.52 2phw s TRP 59 Cb 0.10 0.42 0.05 0.00 -1.16 0.00 0.00 33.47 32.87 2phw s TRP 59 CO 0.87 -0.70 -0.04 -2.00 -4.06 0.00 0.00 176.95 171.02 2phw s GLU 60 N -2.58 1.41 0.19 3.25 2.12 0.05 -4.56 118.70 118.59 2phw s GLU 60 Ca -0.05 -0.68 -0.12 0.00 0.36 0.00 0.00 54.97 54.49 2phw s GLU 60 Cb -0.01 -2.24 0.13 0.00 0.26 0.00 0.00 34.13 32.27 2phw s GLU 60 CO -0.03 -0.52 1.86 -0.22 -0.54 0.00 0.00 175.26 175.81 2phw h LYS 61 N 8.08 0.83 -0.52 4.30 3.64 -1.96 0.55 116.57 131.48 2phw h LYS 61 Ca -0.21 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.14 2phw h LYS 61 Cb 1.10 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.70 2phw h LYS 61 CO 0.40 0.55 0.32 0.66 -2.27 0.00 0.00 179.45 179.11 2phw h SER 62 N 0.85 0.54 0.30 4.20 4.64 -1.96 -2.93 113.55 119.19 2phw h SER 62 Ca 0.24 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2phw h SER 62 Cb -0.07 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 61.90 2phw h SER 62 CO -0.06 0.39 -0.54 -1.54 -0.87 0.00 0.00 176.83 174.20 2phw n SER 63 N -4.76 0.85 -1.97 4.97 3.41 -1.18 -4.95 113.62 109.98 2phw n SER 63 Ca 0.03 -0.65 -0.16 0.00 -0.26 0.00 0.00 58.87 57.83 2phw n SER 63 Cb 0.05 0.39 0.01 0.00 -0.26 0.00 0.00 64.21 64.40 2phw n SER 63 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2phw n SER 64 N -1.18 -4.74 -4.84 4.04 2.88 0.14 -5.01 113.62 104.92 2phw n SER 64 Ca 0.07 -0.10 -0.28 0.00 -1.33 0.00 0.00 58.87 57.24 2phw n SER 64 Cb 0.35 -3.75 -0.05 0.00 -0.75 0.00 0.00 64.21 60.01 2phw n SER 64 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2phw s ARG 65 N -5.03 3.06 -0.01 -1.46 0.52 -0.95 -4.87 118.95 110.21 2phw s ARG 65 Ca 0.10 -0.73 0.02 0.00 -0.52 0.00 0.00 55.73 54.59 2phw s ARG 65 Cb -0.04 -2.77 -0.00 0.00 0.52 0.00 0.00 34.95 32.66 2phw s ARG 65 CO 0.12 0.52 -0.06 0.08 0.02 0.00 0.00 175.30 175.98 2phw s VAL 66 N -1.65 0.51 0.38 3.52 1.01 -0.75 -0.77 120.40 122.64 2phw s VAL 66 Ca 0.32 -0.25 -0.21 0.00 0.00 0.00 0.00 61.98 61.84 2phw s VAL 66 Cb -0.11 -0.45 -0.10 0.00 0.00 0.00 0.00 36.38 35.72 2phw s VAL 66 CO 0.25 0.16 0.89 0.00 0.00 0.00 0.00 175.10 176.39 2phw s ALA 67 N 0.02 3.15 0.29 5.51 0.00 0.12 -1.74 121.76 129.11 2phw s ALA 67 Ca 0.00 0.34 0.02 0.00 0.00 0.00 0.00 51.96 52.32 2phw s ALA 67 Cb -0.04 -3.06 -0.03 0.00 0.00 0.00 0.00 23.12 19.98 2phw s ALA 67 CO -0.00 0.19 0.46 0.54 0.00 0.00 0.00 175.76 176.95 2phw s ASN 68 N -2.06 6.31 0.07 0.00 4.22 -0.44 -4.50 114.94 118.54 2phw s ASN 68 Ca 0.57 0.28 -0.21 0.00 -2.14 0.00 0.00 52.86 51.36 2phw s ASN 68 Cb -0.12 -1.95 0.05 0.00 1.28 0.00 0.00 41.25 40.51 2phw s ASN 68 CO 0.16 -0.19 0.50 0.72 -2.04 0.00 0.00 177.10 176.26 2phw s PHE 69 N -2.15 -0.39 -0.04 1.54 -0.12 -1.00 -2.26 117.98 113.55 2phw s PHE 69 Ca 0.37 0.36 -0.01 0.00 -0.05 0.00 0.00 56.93 57.60 2phw s PHE 69 Cb -0.09 0.34 0.03 0.00 -0.63 0.00 0.00 43.02 42.67 2phw s PHE 69 CO 0.33 -0.66 0.08 -1.14 -0.05 0.00 0.00 175.22 173.77 2phw s GLN 70 N -2.75 0.01 -0.11 1.99 0.74 -0.23 -1.21 119.66 118.10 2phw s GLN 70 Ca -0.04 0.27 0.01 0.00 0.05 0.00 0.00 55.36 55.65 2phw s GLN 70 Cb -0.00 -0.23 0.02 0.00 1.10 0.00 0.00 33.01 33.90 2phw s GLN 70 CO -0.04 -0.17 -0.12 0.45 -0.55 0.00 0.00 175.29 174.85 2phw s SER 71 N 1.16 2.31 -0.09 6.67 0.15 0.41 -1.45 113.70 122.86 2phw s SER 71 Ca -0.09 -0.38 0.04 0.00 0.70 0.00 0.00 55.95 56.23 2phw s SER 71 Cb -0.12 -0.99 -0.00 0.00 -1.71 0.00 0.00 66.02 63.19 2phw s SER 71 CO -0.04 -0.04 -0.24 -1.58 1.20 0.00 0.00 173.24 172.54 2phw s GLN 72 N 1.29 2.92 0.17 5.44 0.74 -0.13 -0.50 119.66 129.59 2phw s GLN 72 Ca -0.01 -0.87 -0.20 0.00 0.05 0.00 0.00 55.36 54.33 2phw s GLN 72 Cb -0.14 -2.28 0.05 0.00 1.10 0.00 0.00 33.01 31.74 2phw s GLN 72 CO -0.05 0.24 0.54 -0.59 -0.55 0.00 0.00 175.29 174.88 2phw s PHE 73 N 0.18 -0.32 0.02 1.67 -0.12 -0.39 -0.39 117.98 118.64 2phw s PHE 73 Ca -0.14 0.03 0.03 0.00 -0.05 0.00 0.00 56.93 56.80 2phw s PHE 73 Cb -0.17 0.45 -0.02 0.00 -0.63 0.00 0.00 43.02 42.66 2phw s PHE 73 CO 0.07 -0.86 -0.10 -1.12 -0.05 0.00 0.00 175.22 173.16 2phw s SER 74 N -2.81 1.18 0.16 1.98 0.01 -1.03 -0.03 113.70 113.16 2phw s SER 74 Ca 0.04 -0.35 -0.11 0.00 1.31 0.00 0.00 55.95 56.83 2phw s SER 74 Cb -0.01 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.16 2phw s SER 74 CO -0.09 0.00 0.33 0.72 0.41 0.00 0.00 173.24 174.62 2phw s PHE 75 N -0.71 0.19 0.02 2.43 -0.71 -1.00 -0.73 117.98 117.47 2phw s PHE 75 Ca -0.01 -0.55 0.00 0.00 -1.04 0.00 0.00 56.93 55.34 2phw s PHE 75 Cb -0.06 0.07 -0.02 0.00 -1.21 0.00 0.00 43.02 41.80 2phw s PHE 75 CO 0.00 -0.73 -0.04 -1.54 -1.34 0.00 0.00 175.22 171.57 2phw s SER 76 N -2.91 0.32 -0.04 1.98 1.04 -0.35 -0.90 113.70 112.83 2phw s SER 76 Ca 0.12 -0.50 0.06 0.00 0.48 0.00 0.00 55.95 56.11 2phw s SER 76 Cb 0.02 0.09 -0.01 0.00 0.10 0.00 0.00 66.02 66.22 2phw s SER 76 CO -0.04 -0.29 -0.23 -0.76 0.98 0.00 0.00 173.24 172.91 2phw s LEU 77 N -1.46 2.03 -0.00 2.42 1.43 -1.26 -1.57 118.68 120.26 2phw s LEU 77 Ca -0.15 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 2phw s LEU 77 Cb -0.10 -1.23 0.00 0.00 0.03 0.00 0.00 46.19 44.90 2phw s LEU 77 CO -0.01 0.24 -0.01 -0.75 0.23 0.00 0.00 176.35 176.05 2phw s LYS 78 N -0.24 0.12 -0.19 1.70 2.47 -1.21 0.16 119.74 122.54 2phw s LYS 78 Ca 0.00 -0.03 -0.24 0.00 -1.56 0.00 0.00 55.97 54.14 2phw s LYS 78 Cb -0.12 -0.15 0.06 0.00 -1.46 0.00 0.00 37.83 36.17 2phw s LYS 78 CO 0.02 0.01 0.65 0.45 0.16 0.00 0.00 175.35 176.63 2phw s SER 79 N 0.12 -0.66 0.50 1.43 0.15 -1.26 -0.75 113.70 113.23 2phw s SER 79 Ca -0.01 1.13 0.27 0.00 0.70 0.00 0.00 55.95 58.04 2phw s SER 79 Cb -0.02 1.11 1.27 0.00 -1.71 0.00 0.00 66.02 66.67 2phw s SER 79 CO -0.00 -0.33 1.98 -0.65 1.20 0.00 0.00 173.24 175.44 2phw h PRO 80 N 4.54 0.00 -7.37 5.44 0.11 -1.97 -3.44 132.00 129.31 2phw h PRO 80 Ca -0.28 0.00 -0.46 0.00 0.11 0.00 0.00 66.00 65.37 2phw h PRO 80 Cb 1.16 0.00 0.11 0.00 0.11 0.00 0.00 31.00 32.38 2phw h PRO 80 CO 0.17 0.15 0.23 -0.51 -0.21 0.00 0.00 178.00 177.83 2phw s LEU 81 N -7.01 2.87 0.00 2.35 1.43 -1.26 -5.01 118.68 112.05 2phw s LEU 81 Ca -0.01 -0.02 0.12 0.00 -1.03 0.00 0.00 54.13 53.19 2phw s LEU 81 Cb 0.12 -2.29 -0.11 0.00 0.03 0.00 0.00 46.19 43.94 2phw s LEU 81 CO 0.60 -2.09 0.57 -0.24 0.23 0.00 0.00 176.35 175.41 2phw n SER 82 N -3.14 0.74 -2.79 2.29 2.88 -1.26 -4.55 113.62 107.79 2phw n SER 82 Ca 0.14 -0.87 -0.30 0.00 -1.33 0.00 0.00 58.87 56.51 2phw n SER 82 Cb 0.60 0.90 -0.00 0.00 -0.75 0.00 0.00 64.21 64.96 2phw n SER 82 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2phw n ASN 83 N -1.09 5.28 -4.74 -3.46 3.02 -1.26 -5.07 115.26 107.94 2phw n ASN 83 Ca 0.03 -3.72 -0.39 0.00 -0.03 0.00 0.00 54.58 50.46 2phw n ASN 83 Cb 0.21 -0.64 0.03 0.00 -0.61 0.00 0.00 39.78 38.77 2phw n ASN 83 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2phw n GLY 84 N -0.38 0.76 3.20 7.41 0.00 -1.26 -4.50 105.19 110.41 2phw n GLY 84 Ca 0.39 0.10 -0.09 0.00 0.00 0.00 0.00 46.02 46.43 2phw n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2phw s ALA 85 N -1.25 0.13 -0.04 4.61 0.00 -1.24 -4.36 121.76 119.62 2phw s ALA 85 Ca 0.66 -0.92 0.11 0.00 0.00 0.00 0.00 51.96 51.81 2phw s ALA 85 Cb -0.45 0.55 -0.16 0.00 0.00 0.00 0.00 23.12 23.06 2phw s ALA 85 CO 0.54 -0.50 0.20 -0.25 0.00 0.00 0.00 175.76 175.74 2phw n ASP 86 N -0.05 2.43 0.00 0.00 8.00 0.73 -2.72 116.55 124.94 2phw n ASP 86 Ca -0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.38 2phw n ASP 86 Cb 0.62 1.33 0.00 0.00 -0.02 0.00 0.00 41.12 43.05 2phw n ASP 86 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2phw n GLY 87 N 1.98 3.13 3.32 0.44 0.00 -1.22 -2.69 105.19 110.15 2phw n GLY 87 Ca -0.06 -1.71 -0.23 0.00 0.00 0.00 0.00 46.02 44.02 2phw n GLY 87 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2phw s ILE 88 N -1.98 1.80 -0.06 -0.61 2.07 -1.01 -2.96 121.20 118.44 2phw s ILE 88 Ca 0.00 -1.75 -0.08 0.00 -1.41 0.00 0.00 60.65 57.41 2phw s ILE 88 Cb 0.00 -1.73 0.02 0.00 0.13 0.00 0.00 42.46 40.88 2phw s ILE 88 CO 0.00 -0.19 0.20 0.00 -1.91 0.00 0.00 174.94 173.05 2phw s ALA 89 N -1.62 -0.50 -0.08 1.50 0.00 0.51 -0.88 121.76 120.69 2phw s ALA 89 Ca 0.12 0.46 -0.17 0.00 0.00 0.00 0.00 51.96 52.37 2phw s ALA 89 Cb -0.08 -0.25 -0.05 0.00 0.00 0.00 0.00 23.12 22.75 2phw s ALA 89 CO 0.06 -0.13 0.46 0.12 0.00 0.00 0.00 175.76 176.27 2phw s PHE 90 N -0.21 3.58 0.07 0.00 5.36 -0.52 -0.90 117.98 125.37 2phw s PHE 90 Ca -0.03 0.93 -0.02 0.00 -0.96 0.00 0.00 56.93 56.84 2phw s PHE 90 Cb -0.03 -2.47 -0.03 0.00 -0.34 0.00 0.00 43.02 40.15 2phw s PHE 90 CO 0.01 0.32 0.02 -0.59 -1.46 0.00 0.00 175.22 173.51 2phw s PHE 91 N 0.07 0.51 -0.07 10.12 -0.71 -0.09 -0.79 117.98 127.03 2phw s PHE 91 Ca 0.25 -1.02 0.02 0.00 -1.04 0.00 0.00 56.93 55.14 2phw s PHE 91 Cb -0.16 -0.35 0.01 0.00 -1.21 0.00 0.00 43.02 41.31 2phw s PHE 91 CO 0.11 -0.43 -0.12 0.42 -1.34 0.00 0.00 175.22 173.87 2phw s ILE 92 N -3.93 1.15 0.31 -4.49 1.01 -0.04 -1.54 121.20 113.67 2phw s ILE 92 Ca 0.09 -0.48 -0.12 0.00 0.00 0.00 0.00 60.65 60.14 2phw s ILE 92 Cb 0.07 -1.06 0.01 0.00 0.01 0.00 0.00 42.46 41.50 2phw s ILE 92 CO -0.08 0.36 0.58 0.00 0.00 0.00 0.00 174.94 175.80 2phw s ALA 93 N 0.73 -0.24 0.61 9.38 0.00 -0.78 -2.20 121.76 129.26 2phw s ALA 93 Ca -0.13 -0.93 -0.19 0.00 0.00 0.00 0.00 51.96 50.71 2phw s ALA 93 Cb -0.16 0.98 -0.04 0.00 0.00 0.00 0.00 23.12 23.90 2phw s ALA 93 CO 0.03 -0.89 1.15 -2.30 0.00 0.00 0.00 175.76 173.74 2phw n PRO 94 N -0.47 1.11 -0.16 0.00 -0.02 -1.26 -0.99 135.00 133.20 2phw n PRO 94 Ca -0.03 0.43 0.21 0.00 -2.02 0.00 0.00 63.50 62.09 2phw n PRO 94 Cb 0.61 -2.36 0.60 0.00 -0.02 0.00 0.00 33.50 32.33 2phw n PRO 94 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2phw h PRO 95 N 0.67 0.21 -0.54 0.52 0.11 -1.85 -2.06 132.00 129.06 2phw h PRO 95 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2phw h PRO 95 Cb 1.35 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2phw h PRO 95 CO 0.53 0.14 0.00 -0.40 -0.21 0.00 0.00 178.00 178.06 2phw n ASP 96 N -4.41 2.54 -4.72 -2.05 3.85 -1.26 -4.89 116.55 105.60 2phw n ASP 96 Ca 0.16 -2.19 -0.41 0.00 -0.71 0.00 0.00 54.79 51.64 2phw n ASP 96 Cb 0.72 -0.39 0.00 0.00 -1.35 0.00 0.00 41.12 40.11 2phw n ASP 96 CO 0.00 0.00 0.00 1.07 -1.01 0.00 0.00 177.20 177.26 2phw n THR 97 N 0.47 2.28 -4.15 2.12 5.66 -0.78 -5.02 114.28 114.87 2phw n THR 97 Ca 0.13 -0.50 -0.10 0.00 -3.05 0.00 0.00 64.05 60.53 2phw n THR 97 Cb 0.48 -1.69 -0.10 0.00 -1.55 0.00 0.00 70.33 67.47 2phw n THR 97 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2phw s THR 98 N -1.15 0.10 -0.09 1.09 -4.23 -1.26 -5.10 115.64 105.01 2phw s THR 98 Ca 0.57 -1.91 -0.29 0.00 -1.18 0.00 0.00 61.69 58.88 2phw s THR 98 Cb -0.51 -2.03 -0.06 0.00 1.34 0.00 0.00 72.50 71.24 2phw s THR 98 CO 0.61 -0.48 1.76 -0.63 -0.54 0.00 0.00 174.62 175.34 2phw s ILE 99 N -4.05 3.45 0.46 2.99 1.01 -1.26 -4.96 121.20 118.84 2phw s ILE 99 Ca 0.24 0.53 -0.24 0.00 0.00 0.00 0.00 60.65 61.18 2phw s ILE 99 Cb 0.07 -3.38 -0.07 0.00 0.01 0.00 0.00 42.46 39.09 2phw s ILE 99 CO 0.02 -0.10 1.25 -2.84 0.00 0.00 0.00 174.94 173.27 2phw s PRO 100 N 4.45 3.68 0.23 2.79 0.02 -1.26 -4.93 135.00 139.99 2phw s PRO 100 Ca 0.78 2.00 -0.31 0.00 0.02 0.00 0.00 61.00 63.48 2phw s PRO 100 Cb -0.33 -2.48 -0.12 0.00 0.02 0.00 0.00 34.50 31.58 2phw s PRO 100 CO 0.32 -0.68 1.67 0.43 -0.33 0.00 0.00 177.00 178.42 2phw n SER 101 N -0.41 3.89 -1.27 2.53 7.64 -1.26 -2.28 113.62 122.46 2phw n SER 101 Ca 0.07 1.09 -0.12 0.00 1.01 0.00 0.00 58.87 60.92 2phw n SER 101 Cb 0.46 -1.57 -0.02 0.00 -1.01 0.00 0.00 64.21 62.07 2phw n SER 101 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2phw n GLY 102 N 3.33 0.22 1.15 0.23 0.00 -1.26 -4.45 105.19 104.40 2phw n GLY 102 Ca 0.14 -0.40 0.06 0.00 0.00 0.00 0.00 46.02 45.81 2phw n GLY 102 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2phw n SER 103 N -0.22 3.32 -2.92 1.61 3.41 -0.97 -4.32 113.62 113.53 2phw n SER 103 Ca -0.14 -2.33 -0.12 0.00 -0.26 0.00 0.00 58.87 56.02 2phw n SER 103 Cb 0.56 -0.48 0.10 0.00 -0.26 0.00 0.00 64.21 64.13 2phw n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2phw n GLY 104 N 0.76 -2.50 7.00 5.00 0.00 -1.26 0.49 105.19 114.68 2phw n GLY 104 Ca 0.17 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.71 2phw n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2phw n GLY 105 N -0.35 3.10 0.13 -0.02 0.00 -1.26 -1.98 105.19 104.81 2phw n GLY 105 Ca 0.06 -0.10 0.09 0.00 0.00 0.00 0.00 46.02 46.07 2phw n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2phw n GLY 106 N 0.00 -0.84 0.15 -0.02 0.00 -1.26 -1.30 105.19 101.92 2phw n GLY 106 Ca 0.00 0.15 0.15 0.00 0.00 0.00 0.00 46.02 46.32 2phw n GLY 106 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2phw n LEU 107 N -2.11 0.51 -1.41 0.99 4.77 -0.84 -4.92 117.00 114.00 2phw n LEU 107 Ca -0.01 -0.09 -0.14 0.00 -0.03 0.00 0.00 56.01 55.75 2phw n LEU 107 Cb 0.05 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 40.99 2phw n LEU 107 CO 0.09 0.09 -0.13 0.18 -1.33 0.00 0.00 177.39 176.29 2phw n LEU 108 N -0.74 -1.00 -0.34 2.23 4.77 -0.42 -1.24 117.00 120.25 2phw n LEU 108 Ca 0.19 0.34 -0.04 0.00 -0.03 0.00 0.00 56.01 56.46 2phw n LEU 108 Cb 0.24 -2.06 -0.02 0.00 -2.33 0.00 0.00 43.42 39.25 2phw n LEU 108 CO 0.20 -0.71 -0.04 0.61 -1.33 0.00 0.00 177.39 176.12 2phw n GLY 109 N -0.26 0.71 0.04 -0.72 0.00 0.18 -3.88 105.19 101.26 2phw n GLY 109 Ca -0.14 -0.48 -0.03 0.00 0.00 0.00 0.00 46.02 45.37 2phw n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2phw n LEU 110 N -0.51 0.00 -4.26 0.99 4.77 -0.37 -4.51 117.00 113.11 2phw n LEU 110 Ca -0.04 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.76 2phw n LEU 110 Cb 0.21 0.19 -0.11 0.00 -2.33 0.00 0.00 43.42 41.38 2phw n LEU 110 CO 0.07 0.19 -0.45 -0.36 -1.33 0.00 0.00 177.39 175.51 2phw s PHE 111 N -2.28 1.44 0.13 -1.77 0.40 -1.19 -4.84 117.98 109.87 2phw s PHE 111 Ca -0.04 -0.57 -0.18 0.00 -0.60 0.00 0.00 56.93 55.54 2phw s PHE 111 Cb 0.03 -0.74 -0.07 0.00 0.51 0.00 0.00 43.02 42.75 2phw s PHE 111 CO 0.37 0.17 0.60 0.00 0.70 0.00 0.00 175.22 177.07 2phw s ALA 112 N -2.30 3.55 0.17 5.36 0.00 -1.26 -4.09 121.76 123.18 2phw s ALA 112 Ca 0.11 0.02 -0.19 0.00 0.00 0.00 0.00 51.96 51.90 2phw s ALA 112 Cb -0.04 -2.65 0.10 0.00 0.00 0.00 0.00 23.12 20.53 2phw s ALA 112 CO 0.03 0.40 1.63 -1.35 0.00 0.00 0.00 175.76 176.48 2phw h PRO 113 N 3.98 -0.12 0.00 0.00 0.11 -1.78 0.61 132.00 134.80 2phw h PRO 113 Ca -0.49 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 2phw h PRO 113 Cb 1.20 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 2phw h PRO 113 CO 0.65 -0.08 -0.01 0.78 -0.21 0.00 0.00 178.00 179.12 2phw h GLY 114 N -0.13 0.00 -0.34 -0.55 0.00 -1.94 -3.14 103.07 96.98 2phw h GLY 114 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 2phw h GLY 114 CO -0.48 0.00 -0.17 -1.30 0.00 0.00 0.00 176.54 174.60 2phw n THR 115 N -3.18 0.87 0.12 4.70 -2.24 -0.90 -4.84 114.28 108.81 2phw n THR 115 Ca -0.02 -1.02 0.15 0.00 -2.27 0.00 0.00 64.05 60.89 2phw n THR 115 Cb 0.13 0.28 0.67 0.00 -2.10 0.00 0.00 70.33 69.32 2phw n THR 115 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2phw h ALA 116 N 0.00 2.25 -0.21 6.98 0.00 -0.84 -2.17 119.26 125.27 2phw h ALA 116 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2phw h ALA 116 Cb 1.06 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2phw h ALA 116 CO 0.00 -0.35 0.00 1.04 0.00 0.00 0.00 179.25 179.94 2phw n GLN 117 N -4.43 2.66 -3.26 0.00 6.02 -1.26 -1.14 117.38 115.98 2phw n GLN 117 Ca 0.04 -2.34 -0.46 0.00 -0.01 0.00 0.00 57.00 54.23 2phw n GLN 117 Cb 0.36 -1.47 -0.05 0.00 1.02 0.00 0.00 30.24 30.10 2phw n GLN 117 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2phw s ASN 118 N -1.63 6.24 0.63 1.08 3.84 -0.82 -4.93 114.94 119.35 2phw s ASN 118 Ca 0.28 -1.77 0.40 0.00 0.21 0.00 0.00 52.86 51.98 2phw s ASN 118 Cb 0.21 -2.23 2.12 0.00 -0.55 0.00 0.00 41.25 40.80 2phw s ASN 118 CO 0.09 -0.90 2.28 0.71 -2.79 0.00 0.00 177.10 176.48 2phw h THR 119 N 5.82 0.11 0.00 -5.21 1.35 -1.85 -1.87 112.91 111.25 2phw h THR 119 Ca -0.26 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 2phw h THR 119 Cb 1.09 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 2phw h THR 119 CO 1.04 0.01 -0.19 -1.20 -0.25 0.00 0.00 175.52 174.93 2phw n SER 120 N -3.22 0.26 -0.68 5.36 7.64 -1.26 -3.74 113.62 117.98 2phw n SER 120 Ca -0.02 0.26 0.09 0.00 1.01 0.00 0.00 58.87 60.21 2phw n SER 120 Cb 0.12 -0.26 0.06 0.00 -1.01 0.00 0.00 64.21 63.13 2phw n SER 120 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2phw n ALA 121 N -1.54 2.62 -2.43 -0.43 0.00 -0.70 -5.01 120.51 113.01 2phw n ALA 121 Ca 0.06 -0.63 -0.22 0.00 0.00 0.00 0.00 53.44 52.65 2phw n ALA 121 Cb 0.35 -0.63 -0.10 0.00 0.00 0.00 0.00 19.45 19.08 2phw n ALA 121 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2phw s ASN 122 N -1.64 3.23 -0.40 0.00 0.01 -1.23 -5.09 114.94 109.81 2phw s ASN 122 Ca 0.20 -1.04 0.03 0.00 -0.71 0.00 0.00 52.86 51.35 2phw s ASN 122 Cb 0.15 -0.24 0.16 0.00 0.41 0.00 0.00 41.25 41.73 2phw s ASN 122 CO 0.27 -0.05 0.32 -1.10 -1.51 0.00 0.00 177.10 175.03 2phw s GLN 123 N -3.57 0.83 -0.22 -0.60 -0.21 -1.26 -4.84 119.66 109.79 2phw s GLN 123 Ca 0.28 -1.93 -0.27 0.00 0.02 0.00 0.00 55.36 53.46 2phw s GLN 123 Cb -0.03 -1.36 0.08 0.00 1.00 0.00 0.00 33.01 32.70 2phw s GLN 123 CO 0.12 -1.35 0.77 0.54 -2.12 0.00 0.00 175.29 173.25 2phw s VAL 124 N 0.28 0.00 -0.08 1.09 0.11 -1.26 -4.27 120.40 116.27 2phw s VAL 124 Ca 0.30 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.38 2phw s VAL 124 Cb -0.01 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.84 2phw s VAL 124 CO -0.16 0.00 -0.19 -0.63 -3.33 0.00 0.00 175.10 170.79 2phw s ILE 125 N -0.05 1.70 0.04 7.04 1.01 -0.93 -0.83 121.20 129.18 2phw s ILE 125 Ca -0.02 -0.81 -0.07 0.00 0.00 0.00 0.00 60.65 59.75 2phw s ILE 125 Cb -0.04 -1.49 -0.01 0.00 0.01 0.00 0.00 42.46 40.94 2phw s ILE 125 CO 0.02 0.48 0.12 0.00 0.00 0.00 0.00 174.94 175.56 2phw s ALA 126 N 0.44 -0.15 -0.26 9.38 0.00 0.21 -0.86 121.76 130.52 2phw s ALA 126 Ca -0.17 -0.46 0.01 0.00 0.00 0.00 0.00 51.96 51.34 2phw s ALA 126 Cb -0.17 0.25 0.05 0.00 0.00 0.00 0.00 23.12 23.25 2phw s ALA 126 CO 0.07 -0.33 -0.09 0.08 0.00 0.00 0.00 175.76 175.49 2phw s VAL 127 N -2.55 2.43 0.06 0.00 1.01 0.03 0.22 120.40 121.60 2phw s VAL 127 Ca -0.05 -1.43 0.01 0.00 0.00 0.00 0.00 61.98 60.50 2phw s VAL 127 Cb -0.01 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 2phw s VAL 127 CO -0.04 0.04 0.15 -1.83 0.00 0.00 0.00 175.10 173.41 2phw s GLU 128 N 1.18 3.19 -0.43 2.72 -1.05 0.05 -1.43 118.70 122.93 2phw s GLU 128 Ca -0.06 -0.53 0.03 0.00 -0.15 0.00 0.00 54.97 54.26 2phw s GLU 128 Cb -0.19 -2.91 0.12 0.00 -0.44 0.00 0.00 34.13 30.72 2phw s GLU 128 CO -0.05 0.60 0.18 -0.06 0.95 0.00 0.00 175.26 176.88 2phw s PHE 129 N -1.42 3.04 -0.34 4.83 0.40 -0.06 -1.10 117.98 123.33 2phw s PHE 129 Ca 0.31 -2.88 -0.15 0.00 -0.60 0.00 0.00 56.93 53.62 2phw s PHE 129 Cb -0.13 -2.61 -0.01 0.00 0.51 0.00 0.00 43.02 40.78 2phw s PHE 129 CO 0.24 -0.82 0.33 0.34 0.70 0.00 0.00 175.22 176.00 2phw s ASP 130 N 0.34 6.15 0.00 1.36 -1.08 -0.20 -2.41 116.67 120.84 2phw s ASP 130 Ca 0.15 -0.27 0.20 0.00 -0.52 0.00 0.00 52.55 52.10 2phw s ASP 130 Cb -0.23 -2.18 0.01 0.00 -1.46 0.00 0.00 42.92 39.06 2phw s ASP 130 CO -0.05 -0.31 1.01 0.35 0.52 0.00 0.00 175.17 176.70 2phw n THR 131 N 5.20 0.00 -4.47 1.71 -2.24 -1.09 -1.66 114.28 111.72 2phw n THR 131 Ca -0.10 -0.31 -0.26 0.00 -2.27 0.00 0.00 64.05 61.10 2phw n THR 131 Cb 0.49 1.26 -0.17 0.00 -2.10 0.00 0.00 70.33 69.81 2phw n THR 131 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2phw s PHE 132 N -2.19 1.67 -0.03 4.78 5.36 -1.25 -4.80 117.98 121.53 2phw s PHE 132 Ca 0.17 -0.71 0.04 0.00 -0.96 0.00 0.00 56.93 55.47 2phw s PHE 132 Cb 0.16 -1.23 0.06 0.00 -0.34 0.00 0.00 43.02 41.67 2phw s PHE 132 CO 0.48 -0.38 0.99 2.48 -1.46 0.00 0.00 175.22 177.33 2phw n TYR 133 N 4.09 0.00 -1.66 10.12 4.11 -1.26 -4.97 117.16 127.59 2phw n TYR 133 Ca -0.20 -0.23 -0.52 0.00 -0.00 0.00 0.00 57.90 56.95 2phw n TYR 133 Cb 0.51 -0.07 -0.06 0.00 -0.00 0.00 0.00 39.34 39.73 2phw n TYR 133 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2phw n ALA 134 N -0.32 -0.03 0.34 -3.48 0.00 -1.26 -4.74 120.51 111.01 2phw n ALA 134 Ca 0.03 0.42 0.07 0.00 0.00 0.00 0.00 53.44 53.97 2phw n ALA 134 Cb 0.66 -2.24 0.32 0.00 0.00 0.00 0.00 19.45 18.19 2phw n ALA 134 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2phw n GLN 135 N 4.28 0.06 0.08 0.00 1.13 -1.26 -0.47 117.38 121.21 2phw n GLN 135 Ca 0.21 0.38 -0.12 0.00 -1.94 0.00 0.00 57.00 55.54 2phw n GLN 135 Cb 0.20 -1.64 -0.04 0.00 0.11 0.00 0.00 30.24 28.87 2phw n GLN 135 CO 0.00 0.00 0.00 0.38 -1.44 0.00 0.00 177.06 176.00 2phw h ASP 136 N 0.00 0.43 0.00 1.08 2.03 -1.98 -3.32 116.42 114.66 2phw h ASP 136 Ca 0.00 -0.35 -0.15 0.00 -0.73 0.00 0.00 57.03 55.80 2phw h ASP 136 Cb 0.20 -0.13 -0.03 0.00 -0.83 0.00 0.00 39.33 38.54 2phw h ASP 136 CO 0.00 1.16 -1.56 -1.54 -1.03 0.00 0.00 179.24 176.27 2phw n SER 137 N -3.70 3.01 -3.21 4.15 3.41 -1.09 -4.72 113.62 111.46 2phw n SER 137 Ca -0.06 -0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.23 2phw n SER 137 Cb 0.84 0.66 -0.02 0.00 -0.26 0.00 0.00 64.21 65.43 2phw n SER 137 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2phw n ASN 138 N -2.32 5.52 0.13 4.04 5.03 0.39 -4.87 115.26 123.16 2phw n ASN 138 Ca -0.13 -3.68 0.17 0.00 0.87 0.00 0.00 54.58 51.80 2phw n ASN 138 Cb 0.76 -0.79 0.73 0.00 -1.02 0.00 0.00 39.78 39.47 2phw n ASN 138 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 2phw h THR 139 N 2.72 0.67 0.00 3.41 1.35 -1.75 -1.96 112.91 117.35 2phw h THR 139 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.14 2phw h THR 139 Cb 0.44 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 2phw h THR 139 CO 0.95 0.00 0.00 -2.67 -0.25 0.00 0.00 175.52 173.55 2phw n TRP 140 N -4.16 0.71 -2.97 4.73 2.14 -1.26 -4.89 117.44 111.73 2phw n TRP 140 Ca 0.04 0.23 -0.32 0.00 2.07 0.00 0.00 57.50 59.53 2phw n TRP 140 Cb 0.41 -0.87 -0.05 0.00 -0.81 0.00 0.00 31.31 29.99 2phw n TRP 140 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 2phw s ASP 141 N -4.14 6.69 0.77 -0.67 1.01 -0.74 -4.76 116.67 114.83 2phw s ASP 141 Ca 0.09 1.28 -0.11 0.00 0.71 0.00 0.00 52.55 54.52 2phw s ASP 141 Cb 0.12 -2.38 0.05 0.00 1.01 0.00 0.00 42.92 41.73 2phw s ASP 141 CO 0.51 -0.31 1.08 -2.16 0.21 0.00 0.00 175.17 174.51 2phw s PRO 142 N -3.35 2.29 -1.39 8.23 0.04 -1.26 -4.90 135.00 134.66 2phw s PRO 142 Ca 0.54 0.98 -0.07 0.00 0.04 0.00 0.00 61.00 62.49 2phw s PRO 142 Cb -0.10 -1.91 0.08 0.00 0.04 0.00 0.00 34.50 32.60 2phw s PRO 142 CO 0.23 -1.57 2.47 0.27 0.04 0.00 0.00 177.00 178.44 2phw n ASN 143 N -3.45 7.95 -3.62 6.66 6.94 -1.26 -4.83 115.26 123.66 2phw n ASN 143 Ca 0.08 -3.02 -0.04 0.00 -0.02 0.00 0.00 54.58 51.59 2phw n ASN 143 Cb 0.54 -1.41 -0.03 0.00 -2.36 0.00 0.00 39.78 36.51 2phw n ASN 143 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 2phw s TYR 144 N -0.29 -0.10 0.55 -2.53 -0.85 -1.26 -5.10 117.35 107.77 2phw s TYR 144 Ca 0.56 0.12 -0.22 0.00 -0.52 0.00 0.00 57.07 57.02 2phw s TYR 144 Cb 0.18 0.50 -0.05 0.00 0.38 0.00 0.00 41.96 42.96 2phw s TYR 144 CO -0.08 -0.13 1.31 -0.35 -1.52 0.00 0.00 175.55 174.79 2phw n PRO 145 N 0.23 1.60 -3.67 -3.49 -0.04 -1.26 -4.87 135.00 123.50 2phw n PRO 145 Ca -0.00 0.59 -0.09 0.00 -0.04 0.00 0.00 63.50 63.96 2phw n PRO 145 Cb 0.58 -2.52 -0.02 0.00 -0.04 0.00 0.00 33.50 31.50 2phw n PRO 145 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2phw s HIS 146 N -1.31 -0.34 -0.10 0.54 -3.43 -0.67 -1.82 115.29 108.17 2phw s HIS 146 Ca 0.72 -0.01 -0.00 0.00 -0.80 0.00 0.00 55.06 54.96 2phw s HIS 146 Cb -0.42 0.64 -0.03 0.00 -1.43 0.00 0.00 32.58 31.34 2phw s HIS 146 CO 0.49 -1.07 -0.07 0.42 -2.00 0.00 0.00 174.74 172.51 2phw s ILE 147 N -3.85 3.65 0.04 -5.38 1.01 -0.61 -1.03 121.20 115.04 2phw s ILE 147 Ca 0.07 -0.48 -0.02 0.00 0.00 0.00 0.00 60.65 60.22 2phw s ILE 147 Cb -0.04 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.88 2phw s ILE 147 CO -0.02 0.56 -0.00 -0.83 0.00 0.00 0.00 174.94 174.65 2phw s GLY 148 N -0.34 0.37 -0.24 6.18 0.00 -0.26 -1.26 107.32 111.77 2phw s GLY 148 Ca 0.05 -0.97 -0.07 0.00 0.00 0.00 0.00 44.72 43.72 2phw s GLY 148 CO 0.02 -1.08 0.06 -0.42 0.00 0.00 0.00 173.10 171.68 2phw s ILE 149 N -3.26 4.32 -0.20 0.90 1.01 -0.42 -0.77 121.20 122.79 2phw s ILE 149 Ca 0.01 -0.17 -0.05 0.00 0.00 0.00 0.00 60.65 60.43 2phw s ILE 149 Cb 0.03 -3.00 -0.02 0.00 0.01 0.00 0.00 42.46 39.47 2phw s ILE 149 CO -0.08 0.36 -0.00 -1.81 0.00 0.00 0.00 174.94 173.41 2phw s ASP 150 N 1.42 4.82 -0.32 3.58 -0.00 0.13 -1.33 116.67 124.97 2phw s ASP 150 Ca 0.05 -0.20 0.02 0.00 -0.00 0.00 0.00 52.55 52.42 2phw s ASP 150 Cb -0.15 -1.82 0.10 0.00 -0.00 0.00 0.00 42.92 41.05 2phw s ASP 150 CO 0.03 0.07 0.06 -0.69 -0.00 0.00 0.00 175.17 174.64 2phw s VAL 151 N 0.96 1.64 -1.46 -1.27 1.01 -1.26 -0.62 120.40 119.40 2phw s VAL 151 Ca 0.01 -1.86 0.00 0.00 0.00 0.00 0.00 61.98 60.14 2phw s VAL 151 Cb -0.14 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.05 2phw s VAL 151 CO 0.02 -0.58 0.00 0.59 0.00 0.00 0.00 175.10 175.12 2phw n ASN 152 N 4.53 -5.63 -3.58 3.32 3.02 -0.01 -4.94 115.26 111.98 2phw n ASN 152 Ca 0.00 0.34 -0.17 0.00 -0.03 0.00 0.00 54.58 54.72 2phw n ASN 152 Cb 0.42 -4.34 -0.07 0.00 -0.61 0.00 0.00 39.78 35.18 2phw n ASN 152 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2phw s SER 153 N -2.53 -0.57 0.29 6.41 0.15 -1.26 -3.85 113.70 112.34 2phw s SER 153 Ca 0.00 0.65 0.26 0.00 0.70 0.00 0.00 55.95 57.56 2phw s SER 153 Cb 0.00 0.56 0.89 0.00 -1.71 0.00 0.00 66.02 65.76 2phw s SER 153 CO 0.00 -0.55 1.76 -0.29 1.20 0.00 0.00 173.24 175.36 2phw h ILE 154 N 3.25 0.00 -3.00 6.45 6.09 -1.50 -3.39 117.51 125.41 2phw h ILE 154 Ca -0.28 -0.45 -0.62 0.00 -1.37 0.00 0.00 64.86 62.14 2phw h ILE 154 Cb 1.15 1.35 -0.13 0.00 0.47 0.00 0.00 36.82 39.66 2phw h ILE 154 CO 0.37 0.00 0.52 -0.60 -3.07 0.00 0.00 178.15 175.36 2phw s ARG 155 N -3.26 3.23 0.31 2.19 3.52 -1.26 -4.93 118.95 118.75 2phw s ARG 155 Ca 0.07 -0.52 -0.29 0.00 -0.13 0.00 0.00 55.73 54.86 2phw s ARG 155 Cb 0.10 -4.12 -0.13 0.00 -1.56 0.00 0.00 34.95 29.24 2phw s ARG 155 CO 0.52 -1.59 1.24 0.43 -0.81 0.00 0.00 175.30 175.10 2phw n SER 156 N 7.46 2.38 0.22 -2.12 7.64 -1.26 -4.80 113.62 123.15 2phw n SER 156 Ca -0.01 1.19 0.12 0.00 1.01 0.00 0.00 58.87 61.17 2phw n SER 156 Cb 0.47 -1.42 0.33 0.00 -1.01 0.00 0.00 64.21 62.57 2phw n SER 156 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 2phw h VAL 157 N 2.51 0.23 -2.41 0.44 -1.51 -1.56 -3.45 116.25 110.50 2phw h VAL 157 Ca -0.44 -1.09 -0.08 0.00 -1.23 0.00 0.00 66.70 63.86 2phw h VAL 157 Cb 1.30 1.90 -0.23 0.00 -2.13 0.00 0.00 31.29 32.13 2phw h VAL 157 CO 0.65 0.11 -0.10 -0.75 -1.23 0.00 0.00 177.57 176.25 2phw s LYS 158 N -3.36 0.61 0.15 5.19 2.47 -1.24 -5.02 119.74 118.53 2phw s LYS 158 Ca 0.04 0.81 0.01 0.00 -1.56 0.00 0.00 55.97 55.27 2phw s LYS 158 Cb 0.07 0.24 -0.04 0.00 -1.46 0.00 0.00 37.83 36.64 2phw s LYS 158 CO 0.64 -0.10 0.01 0.95 0.16 0.00 0.00 175.35 177.02 2phw s THR 159 N 0.60 0.46 -0.01 3.43 -4.23 -1.26 -1.30 115.64 113.33 2phw s THR 159 Ca -0.03 -1.94 -0.01 0.00 -1.18 0.00 0.00 61.69 58.53 2phw s THR 159 Cb -0.05 -2.03 0.01 0.00 1.34 0.00 0.00 72.50 71.77 2phw s THR 159 CO -0.04 -0.53 0.03 0.54 -0.54 0.00 0.00 174.62 174.08 2phw s VAL 160 N -3.80 -0.01 0.27 2.29 0.11 -0.39 -4.98 120.40 113.90 2phw s VAL 160 Ca 0.22 0.02 -0.30 0.00 -2.93 0.00 0.00 61.98 58.99 2phw s VAL 160 Cb 0.07 -0.05 -0.12 0.00 -1.53 0.00 0.00 36.38 34.75 2phw s VAL 160 CO 0.02 0.01 1.55 1.17 -3.33 0.00 0.00 175.10 174.52 2phw n LYS 161 N 3.18 2.53 -4.15 1.54 3.00 -1.26 -1.58 118.16 121.43 2phw n LYS 161 Ca -0.14 0.90 -0.13 0.00 -0.00 0.00 0.00 58.31 58.95 2phw n LYS 161 Cb 0.59 -2.65 -0.11 0.00 0.00 0.00 0.00 35.03 32.86 2phw n LYS 161 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.40 176.94 2phw s TRP 162 N 0.04 0.91 -0.19 5.64 -0.00 -0.76 -4.81 118.94 119.78 2phw s TRP 162 Ca 0.66 -0.71 -0.03 0.00 -0.00 0.00 0.00 56.10 56.03 2phw s TRP 162 Cb -0.54 -0.52 -0.01 0.00 -0.00 0.00 0.00 33.47 32.41 2phw s TRP 162 CO 0.48 -0.07 -0.08 -0.51 -0.00 0.00 0.00 176.95 176.77 2phw s ASP 163 N -2.44 4.15 -0.01 5.86 1.01 -1.26 -4.42 116.67 119.56 2phw s ASP 163 Ca 0.04 -0.38 -0.27 0.00 0.71 0.00 0.00 52.55 52.65 2phw s ASP 163 Cb -0.02 -1.69 -0.04 0.00 1.01 0.00 0.00 42.92 42.19 2phw s ASP 163 CO -0.02 0.04 0.83 -0.60 0.21 0.00 0.00 175.17 175.63 2phw s ARG 164 N 1.12 4.51 -0.26 8.23 3.52 -1.26 -5.03 118.95 129.79 2phw s ARG 164 Ca 0.01 1.15 0.01 0.00 -0.13 0.00 0.00 55.73 56.77 2phw s ARG 164 Cb -0.15 -3.43 0.07 0.00 -1.56 0.00 0.00 34.95 29.89 2phw s ARG 164 CO -0.02 0.08 -0.02 1.03 -0.81 0.00 0.00 175.30 175.56 2phw s ARG 165 N 0.65 1.47 0.00 5.12 0.52 -1.26 -5.09 118.95 120.36 2phw s ARG 165 Ca 0.44 -1.14 -0.35 0.00 -0.52 0.00 0.00 55.73 54.16 2phw s ARG 165 Cb -0.20 -2.60 -0.14 0.00 0.52 0.00 0.00 34.95 32.53 2phw s ARG 165 CO 0.23 -0.70 1.66 -3.47 0.02 0.00 0.00 175.30 173.04 2phw n ASP 166 N 4.63 2.84 0.00 0.23 2.03 -1.26 -2.03 116.55 122.99 2phw n ASP 166 Ca -0.08 1.05 0.00 0.00 0.52 0.00 0.00 54.79 56.28 2phw n ASP 166 Cb 0.43 -1.32 0.00 0.00 -0.72 0.00 0.00 41.12 39.51 2phw n ASP 166 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2phw n GLY 167 N 3.69 1.14 3.77 0.27 0.00 0.12 -5.00 105.19 109.19 2phw n GLY 167 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 2phw n GLY 167 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2phw s GLN 168 N -0.18 4.04 0.16 1.61 -0.21 -0.86 -4.90 119.66 119.32 2phw s GLN 168 Ca 0.00 -0.03 -0.30 0.00 0.02 0.00 0.00 55.36 55.05 2phw s GLN 168 Cb 0.00 -3.36 -0.08 0.00 1.00 0.00 0.00 33.01 30.57 2phw s GLN 168 CO 0.00 0.40 1.22 0.45 -2.12 0.00 0.00 175.29 175.24 2phw s SER 169 N 0.01 7.05 -0.18 5.90 0.15 -1.26 -4.50 113.70 120.87 2phw s SER 169 Ca 0.14 2.21 -0.04 0.00 0.70 0.00 0.00 55.95 58.96 2phw s SER 169 Cb -0.12 -2.60 -0.02 0.00 -1.71 0.00 0.00 66.02 61.56 2phw s SER 169 CO 0.03 -0.42 -0.02 -0.22 1.20 0.00 0.00 173.24 173.80 2phw s LEU 170 N 0.12 3.23 -0.17 3.45 2.96 -0.08 -4.36 118.68 123.84 2phw s LEU 170 Ca 0.55 -0.17 -0.15 0.00 -0.22 0.00 0.00 54.13 54.14 2phw s LEU 170 Cb -0.33 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 2phw s LEU 170 CO 0.35 0.12 0.33 0.20 -1.32 0.00 0.00 176.35 176.03 2phw s ASN 171 N 0.69 6.45 -0.01 3.68 0.01 -0.22 -2.39 114.94 123.16 2phw s ASN 171 Ca -0.01 0.53 0.06 0.00 -0.71 0.00 0.00 52.86 52.73 2phw s ASN 171 Cb -0.14 -2.20 -0.02 0.00 0.41 0.00 0.00 41.25 39.30 2phw s ASN 171 CO 0.02 0.05 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.78 2phw s VAL 172 N 0.69 1.53 -0.13 1.60 1.01 0.96 -0.48 120.40 125.58 2phw s VAL 172 Ca 0.18 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.29 2phw s VAL 172 Cb -0.14 -1.28 0.02 0.00 0.00 0.00 0.00 36.38 34.99 2phw s VAL 172 CO 0.05 0.39 -0.13 -0.22 0.00 0.00 0.00 175.10 175.20 2phw s LEU 173 N -0.56 1.55 -0.14 3.92 2.96 0.32 -1.26 118.68 125.48 2phw s LEU 173 Ca 0.07 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.57 2phw s LEU 173 Cb -0.08 -1.07 -0.00 0.00 0.50 0.00 0.00 46.19 45.55 2phw s LEU 173 CO -0.00 -0.06 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.10 2phw s VAL 174 N 1.45 2.55 0.01 1.68 1.01 0.35 -1.24 120.40 126.20 2phw s VAL 174 Ca 0.03 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.21 2phw s VAL 174 Cb -0.13 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 2phw s VAL 174 CO -0.08 0.53 -0.09 -0.89 0.00 0.00 0.00 175.10 174.56 2phw s THR 175 N 0.63 0.73 -0.10 3.92 2.01 -0.03 -0.45 115.64 122.36 2phw s THR 175 Ca -0.09 -0.56 0.02 0.00 0.31 0.00 0.00 61.69 61.37 2phw s THR 175 Cb -0.16 -0.65 0.01 0.00 0.01 0.00 0.00 72.50 71.72 2phw s THR 175 CO 0.03 0.09 -0.16 0.12 -0.69 0.00 0.00 174.62 174.01 2phw s PHE 176 N -0.45 1.99 -0.30 4.92 5.36 -0.35 -0.03 117.98 129.13 2phw s PHE 176 Ca 0.01 -0.90 -0.05 0.00 -0.96 0.00 0.00 56.93 55.04 2phw s PHE 176 Cb -0.05 -1.42 0.03 0.00 -0.34 0.00 0.00 43.02 41.24 2phw s PHE 176 CO 0.00 -0.44 0.05 1.21 -1.46 0.00 0.00 175.22 174.58 2phw s ASN 177 N 0.85 5.02 0.52 6.13 3.84 -0.82 -2.39 114.94 128.09 2phw s ASN 177 Ca -0.09 -0.97 0.26 0.00 0.21 0.00 0.00 52.86 52.27 2phw s ASN 177 Cb -0.15 -1.82 1.43 0.00 -0.55 0.00 0.00 41.25 40.16 2phw s ASN 177 CO 0.01 -0.24 2.08 1.55 -2.79 0.00 0.00 177.10 177.71 2phw h PRO 178 N 8.16 0.00 -0.39 0.43 0.13 -1.88 0.70 132.00 139.15 2phw h PRO 178 Ca -0.27 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.74 2phw h PRO 178 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 2phw h PRO 178 CO 0.59 0.12 -0.21 0.77 -0.23 0.00 0.00 178.00 179.03 2phw h SER 179 N 0.00 0.86 0.00 1.44 0.02 -1.94 -3.29 113.55 110.64 2phw h SER 179 Ca -0.00 -0.41 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 2phw h SER 179 Cb 0.31 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.61 2phw h SER 179 CO 0.02 1.08 -1.28 0.35 -1.14 0.00 0.00 176.83 175.86 2phw n THR 180 N -4.23 0.00 -1.58 -2.27 -2.24 -1.13 -4.98 114.28 97.84 2phw n THR 180 Ca -0.02 -0.23 -0.14 0.00 -2.27 0.00 0.00 64.05 61.39 2phw n THR 180 Cb 0.44 0.60 -0.05 0.00 -2.10 0.00 0.00 70.33 69.21 2phw n THR 180 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2phw n ARG 181 N -1.74 -1.03 -3.31 -0.78 1.74 0.24 -4.88 116.66 106.91 2phw n ARG 181 Ca 0.00 0.95 -0.38 0.00 -0.77 0.00 0.00 57.85 57.65 2phw n ARG 181 Cb 0.37 -5.10 -0.06 0.00 -1.02 0.00 0.00 32.46 26.64 2phw n ARG 181 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2phw s ASN 182 N -2.75 6.61 -0.37 0.55 2.47 -1.15 -0.53 114.94 119.77 2phw s ASN 182 Ca 0.00 0.73 -0.13 0.00 0.42 0.00 0.00 52.86 53.88 2phw s ASN 182 Cb 0.00 -2.28 0.01 0.00 -1.45 0.00 0.00 41.25 37.53 2phw s ASN 182 CO 0.00 -0.07 0.24 -0.22 -3.72 0.00 0.00 177.10 173.33 2phw s LEU 183 N 1.03 4.73 -0.08 3.21 2.96 0.06 -1.95 118.68 128.63 2phw s LEU 183 Ca 0.24 -0.78 -0.00 0.00 -0.22 0.00 0.00 54.13 53.37 2phw s LEU 183 Cb -0.15 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.42 2phw s LEU 183 CO 0.10 -0.35 -0.04 -0.62 -1.32 0.00 0.00 176.35 174.12 2phw s ASP 184 N 1.64 4.92 -0.10 3.68 2.15 0.96 -1.80 116.67 128.13 2phw s ASP 184 Ca 0.04 0.05 0.02 0.00 0.43 0.00 0.00 52.55 53.09 2phw s ASP 184 Cb -0.18 -1.31 0.01 0.00 -0.30 0.00 0.00 42.92 41.14 2phw s ASP 184 CO 0.09 0.37 -0.14 -0.69 -0.17 0.00 0.00 175.17 174.62 2phw s VAL 185 N -0.83 1.41 -0.10 1.11 1.01 0.15 -0.85 120.40 122.29 2phw s VAL 185 Ca 0.13 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.51 2phw s VAL 185 Cb -0.11 -1.29 0.02 0.00 0.00 0.00 0.00 36.38 35.00 2phw s VAL 185 CO 0.02 0.42 -0.10 -0.69 0.00 0.00 0.00 175.10 174.75 2phw s VAL 186 N 0.94 1.15 -0.04 2.92 1.01 -0.37 -1.86 120.40 124.16 2phw s VAL 186 Ca -0.08 -0.40 0.04 0.00 0.00 0.00 0.00 61.98 61.54 2phw s VAL 186 Cb -0.15 -1.12 -0.00 0.00 0.00 0.00 0.00 36.38 35.11 2phw s VAL 186 CO -0.00 0.38 -0.16 0.00 0.00 0.00 0.00 175.10 175.32 2phw s ALA 187 N 1.36 1.42 0.01 5.51 0.00 -0.28 -0.53 121.76 129.25 2phw s ALA 187 Ca -0.01 -0.63 -0.01 0.00 0.00 0.00 0.00 51.96 51.31 2phw s ALA 187 Cb -0.14 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.50 2phw s ALA 187 CO -0.05 0.26 0.00 0.95 0.00 0.00 0.00 175.76 176.92 2phw s THR 188 N 0.06 0.05 0.44 0.00 -4.23 0.37 -0.64 115.64 111.70 2phw s THR 188 Ca -0.04 -0.44 -0.00 0.00 -1.18 0.00 0.00 61.69 60.03 2phw s THR 188 Cb -0.11 -0.16 -0.01 0.00 1.34 0.00 0.00 72.50 73.56 2phw s THR 188 CO 0.02 -0.24 0.67 -0.31 -0.54 0.00 0.00 174.62 174.21 2phw s TYR 189 N -0.72 3.28 0.57 3.99 1.51 -0.41 -1.05 117.35 124.52 2phw s TYR 189 Ca -0.08 0.29 0.27 0.00 -1.01 0.00 0.00 57.07 56.54 2phw s TYR 189 Cb -0.05 -2.27 1.58 0.00 -0.11 0.00 0.00 41.96 41.10 2phw s TYR 189 CO -0.00 -0.31 2.09 0.66 -1.11 0.00 0.00 175.55 176.88 2phw h SER 190 N 0.42 0.00 -0.00 2.29 4.64 -1.90 -0.50 113.55 118.49 2phw h SER 190 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2phw h SER 190 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2phw h SER 190 CO 0.58 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.64 2phw n ASP 191 N -3.97 0.04 0.00 4.97 5.68 -1.26 -4.87 116.55 117.14 2phw n ASP 191 Ca 0.02 -1.17 0.00 0.00 -0.50 0.00 0.00 54.79 53.15 2phw n ASP 191 Cb 0.34 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 2phw n ASP 191 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2phw n GLY 192 N 0.93 0.44 3.69 6.12 0.00 -0.20 -5.04 105.19 111.14 2phw n GLY 192 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2phw n GLY 192 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2phw s THR 193 N -2.17 2.85 0.06 2.61 2.01 -1.25 -4.80 115.64 114.95 2phw s THR 193 Ca 0.00 0.30 0.09 0.00 0.31 0.00 0.00 61.69 62.39 2phw s THR 193 Cb 0.00 -3.19 -0.03 0.00 0.01 0.00 0.00 72.50 69.29 2phw s THR 193 CO 0.00 -0.00 -0.24 -0.60 -0.69 0.00 0.00 174.62 173.09 2phw s ARG 194 N 2.78 1.56 -0.03 4.92 3.52 -1.26 -1.29 118.95 129.16 2phw s ARG 194 Ca 0.77 -1.09 0.03 0.00 -0.13 0.00 0.00 55.73 55.31 2phw s ARG 194 Cb -0.42 -1.77 0.00 0.00 -1.56 0.00 0.00 34.95 31.20 2phw s ARG 194 CO 0.34 0.45 -0.11 0.71 -0.81 0.00 0.00 175.30 175.88 2phw s TYR 195 N -0.86 1.09 0.01 5.12 1.51 0.19 -4.99 117.35 119.42 2phw s TYR 195 Ca 0.10 -0.28 0.03 0.00 -1.01 0.00 0.00 57.07 55.91 2phw s TYR 195 Cb -0.10 -0.76 -0.01 0.00 -0.11 0.00 0.00 41.96 40.98 2phw s TYR 195 CO 0.03 -0.11 -0.09 -1.21 -1.11 0.00 0.00 175.55 173.06 2phw s GLU 196 N 0.15 0.66 -0.18 -0.62 2.02 -1.26 -1.12 118.70 118.35 2phw s GLU 196 Ca -0.03 -0.43 -0.19 0.00 0.02 0.00 0.00 54.97 54.35 2phw s GLU 196 Cb -0.09 -0.61 0.05 0.00 0.10 0.00 0.00 34.13 33.59 2phw s GLU 196 CO 0.01 0.16 0.52 0.54 0.02 0.00 0.00 175.26 176.51 2phw s VAL 197 N -0.48 0.00 0.09 2.63 0.11 -0.78 -4.89 120.40 117.08 2phw s VAL 197 Ca 0.01 -0.03 -0.07 0.00 -2.93 0.00 0.00 61.98 58.96 2phw s VAL 197 Cb -0.05 -0.74 -0.01 0.00 -1.53 0.00 0.00 36.38 34.05 2phw s VAL 197 CO 0.00 -0.02 0.15 -0.94 -3.33 0.00 0.00 175.10 170.96 2phw s SER 198 N 0.08 0.19 -0.12 3.54 1.04 -1.26 -0.68 113.70 116.50 2phw s SER 198 Ca -0.02 -0.75 -0.21 0.00 0.48 0.00 0.00 55.95 55.46 2phw s SER 198 Cb -0.04 0.32 0.05 0.00 0.10 0.00 0.00 66.02 66.45 2phw s SER 198 CO 0.02 -0.71 0.52 -0.47 0.98 0.00 0.00 173.24 173.57 2phw s TYR 199 N -3.88 -0.51 -0.18 5.02 6.14 -0.74 -4.99 117.35 118.21 2phw s TYR 199 Ca 0.06 1.08 -0.18 0.00 0.64 0.00 0.00 57.07 58.67 2phw s TYR 199 Cb 0.05 0.23 -0.04 0.00 0.42 0.00 0.00 41.96 42.63 2phw s TYR 199 CO -0.10 -0.39 0.50 -2.00 0.64 0.00 0.00 175.55 174.20 2phw s GLU 200 N -0.47 4.22 -0.12 4.97 2.12 -1.26 -0.76 118.70 127.40 2phw s GLU 200 Ca -0.06 0.40 -0.10 0.00 0.36 0.00 0.00 54.97 55.58 2phw s GLU 200 Cb -0.03 -3.53 0.04 0.00 0.26 0.00 0.00 34.13 30.87 2phw s GLU 200 CO 0.04 -0.06 0.32 0.54 -0.54 0.00 0.00 175.26 175.55 2phw s VAL 201 N 1.36 -0.01 -0.60 3.70 0.11 0.31 -4.99 120.40 120.28 2phw s VAL 201 Ca 0.24 0.04 -0.20 0.00 -2.93 0.00 0.00 61.98 59.14 2phw s VAL 201 Cb -0.15 -0.46 0.09 0.00 -1.53 0.00 0.00 36.38 34.34 2phw s VAL 201 CO 0.10 0.02 0.75 -0.62 -3.33 0.00 0.00 175.10 172.02 2phw s ASP 202 N 0.57 6.18 0.56 3.54 3.68 -1.26 -4.71 116.67 125.23 2phw s ASP 202 Ca -0.03 -1.31 0.24 0.00 2.13 0.00 0.00 52.55 53.58 2phw s ASP 202 Cb -0.05 -2.33 1.53 0.00 -1.45 0.00 0.00 42.92 40.63 2phw s ASP 202 CO -0.03 -1.17 2.13 -0.37 0.13 0.00 0.00 175.17 175.86 2phw h VAL 203 N 5.93 0.69 0.00 1.11 -1.51 -1.97 -2.20 116.25 118.30 2phw h VAL 203 Ca -0.29 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.16 2phw h VAL 203 Cb 1.08 0.91 -0.00 0.00 -2.13 0.00 0.00 31.29 31.15 2phw h VAL 203 CO 1.11 0.00 -0.07 0.03 -1.23 0.00 0.00 177.57 177.42 2phw h ARG 204 N 0.00 0.00 -0.02 5.19 3.08 -1.91 -0.80 114.38 119.93 2phw h ARG 204 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2phw h ARG 204 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 2phw h ARG 204 CO -0.00 0.07 -0.20 -1.13 -1.07 0.00 0.00 179.97 177.64 2phw n SER 205 N -3.88 1.76 -0.05 7.04 3.41 -0.83 -4.41 113.62 116.65 2phw n SER 205 Ca -0.02 -1.40 -0.08 0.00 -0.26 0.00 0.00 58.87 57.10 2phw n SER 205 Cb 0.16 0.16 -0.05 0.00 -0.26 0.00 0.00 64.21 64.22 2phw n SER 205 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2phw n VAL 206 N 0.09 0.62 -4.42 -3.33 0.31 -0.79 -5.07 118.33 105.73 2phw n VAL 206 Ca 0.14 -0.23 -0.23 0.00 -0.01 0.00 0.00 64.34 64.00 2phw n VAL 206 Cb 0.43 -0.90 -0.11 0.00 -0.91 0.00 0.00 33.84 32.35 2phw n VAL 206 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2phw s LEU 207 N -5.65 2.52 1.06 7.52 1.43 -0.37 -4.59 118.68 120.59 2phw s LEU 207 Ca -0.15 -0.96 -0.15 0.00 -1.03 0.00 0.00 54.13 51.84 2phw s LEU 207 Cb 0.04 -1.00 0.22 0.00 0.03 0.00 0.00 46.19 45.48 2phw s LEU 207 CO 0.25 0.01 1.12 -2.16 0.23 0.00 0.00 176.35 175.80 2phw s PRO 208 N -3.22 -0.07 0.28 1.29 0.04 -1.26 -4.64 135.00 127.41 2phw s PRO 208 Ca 0.24 0.21 -0.02 0.00 0.04 0.00 0.00 61.00 61.47 2phw s PRO 208 Cb -0.05 -1.71 0.39 0.00 0.04 0.00 0.00 34.50 33.17 2phw s PRO 208 CO 0.11 -3.00 1.88 0.93 0.04 0.00 0.00 177.00 176.96 2phw h GLU 209 N -2.07 0.97 -5.75 4.56 5.08 -1.95 -3.42 114.58 111.99 2phw h GLU 209 Ca -0.50 -0.14 -0.67 0.00 -1.00 0.00 0.00 59.36 57.05 2phw h GLU 209 Cb 1.31 -0.18 -0.23 0.00 0.50 0.00 0.00 28.75 30.15 2phw h GLU 209 CO 0.49 0.76 -0.73 -1.58 -1.00 0.00 0.00 179.01 176.95 2phw s TRP 210 N -5.53 2.85 0.29 4.33 0.52 -1.26 -0.32 118.94 119.82 2phw s TRP 210 Ca -0.11 -0.31 0.05 0.00 0.02 0.00 0.00 56.10 55.75 2phw s TRP 210 Cb 0.16 -1.78 -0.03 0.00 -1.15 0.00 0.00 33.47 30.67 2phw s TRP 210 CO 0.80 0.04 0.23 0.14 0.02 0.00 0.00 176.95 178.18 2phw s VAL 211 N -0.18 0.02 0.09 4.03 -7.23 -0.25 -4.32 120.40 112.55 2phw s VAL 211 Ca 0.01 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.26 2phw s VAL 211 Cb -0.13 -2.50 -0.03 0.00 0.56 0.00 0.00 36.38 34.28 2phw s VAL 211 CO 0.03 0.00 -0.20 -0.13 -0.31 0.00 0.00 175.10 174.49 2phw s ARG 212 N -3.69 1.10 0.12 4.82 0.52 -0.17 -0.29 118.95 121.36 2phw s ARG 212 Ca 0.40 -1.09 0.10 0.00 -0.52 0.00 0.00 55.73 54.62 2phw s ARG 212 Cb 0.04 -1.30 -0.04 0.00 0.52 0.00 0.00 34.95 34.17 2phw s ARG 212 CO 0.22 0.30 -0.23 0.14 0.02 0.00 0.00 175.30 175.76 2phw s VAL 213 N -1.13 2.50 0.00 3.52 -7.23 -1.26 -1.87 120.40 114.93 2phw s VAL 213 Ca 0.05 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 58.59 2phw s VAL 213 Cb -0.10 -2.11 0.00 0.00 0.56 0.00 0.00 36.38 34.73 2phw s VAL 213 CO 0.04 0.11 0.00 0.61 -0.31 0.00 0.00 175.10 175.55 2phw n GLY 214 N 0.92 1.30 3.12 2.32 0.00 -0.59 -1.67 105.19 110.60 2phw n GLY 214 Ca -0.17 -0.61 -0.13 0.00 0.00 0.00 0.00 46.02 45.11 2phw n GLY 214 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2phw s PHE 215 N -2.16 0.85 0.02 1.61 0.40 -0.39 -0.91 117.98 117.39 2phw s PHE 215 Ca 0.00 -0.63 -0.03 0.00 -0.60 0.00 0.00 56.93 55.67 2phw s PHE 215 Cb 0.00 -0.49 -0.01 0.00 0.51 0.00 0.00 43.02 43.03 2phw s PHE 215 CO 0.00 -0.07 0.04 0.45 0.70 0.00 0.00 175.22 176.33 2phw s SER 216 N -2.14 0.17 0.07 1.36 0.15 -0.07 -1.42 113.70 111.81 2phw s SER 216 Ca -0.01 -0.41 -0.21 0.00 0.70 0.00 0.00 55.95 56.02 2phw s SER 216 Cb -0.05 0.15 0.05 0.00 -1.71 0.00 0.00 66.02 64.46 2phw s SER 216 CO -0.01 -0.34 0.50 0.00 1.20 0.00 0.00 173.24 174.58 2phw s ALA 217 N -1.55 -1.25 0.11 5.45 0.00 -0.64 -0.36 121.76 123.51 2phw s ALA 217 Ca -0.14 0.46 -0.19 0.00 0.00 0.00 0.00 51.96 52.09 2phw s ALA 217 Cb -0.08 0.46 0.05 0.00 0.00 0.00 0.00 23.12 23.55 2phw s ALA 217 CO -0.00 -0.54 0.47 0.00 0.00 0.00 0.00 175.76 175.69 2phw s ALA 218 N -2.75 -1.17 -0.03 0.00 0.00 -1.16 -1.96 121.76 114.70 2phw s ALA 218 Ca -0.04 0.23 -0.00 0.00 0.00 0.00 0.00 51.96 52.16 2phw s ALA 218 Cb -0.00 0.64 0.03 0.00 0.00 0.00 0.00 23.12 23.79 2phw s ALA 218 CO -0.04 -0.63 0.01 -1.12 0.00 0.00 0.00 175.76 173.98 2phw s SER 219 N -2.55 0.58 0.00 0.00 0.01 -0.30 -0.19 113.70 111.24 2phw s SER 219 Ca 0.00 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.25 2phw s SER 219 Cb 0.01 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.02 2phw s SER 219 CO -0.09 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.04 2phw n GLY 220 N 4.37 0.53 0.12 3.44 0.00 -1.26 -1.58 105.19 110.81 2phw n GLY 220 Ca -0.22 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.78 2phw n GLY 220 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2phw h GLU 221 N 0.00 0.00 -6.07 1.61 5.08 -1.97 -0.10 114.58 113.13 2phw h GLU 221 Ca 0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 2phw h GLU 221 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2phw h GLU 221 CO 0.00 0.72 -0.40 -0.65 -1.00 0.00 0.00 179.01 177.67 2phw s GLN 222 N -3.23 3.52 0.18 2.33 -1.52 -1.26 -4.85 119.66 114.84 2phw s GLN 222 Ca 0.00 -0.32 -0.08 0.00 -1.95 0.00 0.00 55.36 53.02 2phw s GLN 222 Cb 0.11 -2.93 -0.02 0.00 -0.22 0.00 0.00 33.01 29.95 2phw s GLN 222 CO 0.77 0.51 0.27 1.52 -0.25 0.00 0.00 175.29 178.12 2phw s TYR 223 N -1.65 0.57 -0.19 0.91 1.13 -1.25 -4.24 117.35 112.63 2phw s TYR 223 Ca 0.38 -0.91 -0.33 0.00 -1.41 0.00 0.00 57.07 54.80 2phw s TYR 223 Cb -0.12 -0.14 0.14 0.00 -1.10 0.00 0.00 41.96 40.75 2phw s TYR 223 CO 0.27 -0.74 1.19 1.14 -2.51 0.00 0.00 175.55 174.90 2phw s GLN 224 N -4.02 0.33 0.47 -3.49 -2.07 -1.10 -3.66 119.66 106.12 2phw s GLN 224 Ca 0.23 -0.07 -0.19 0.00 -1.82 0.00 0.00 55.36 53.51 2phw s GLN 224 Cb 0.04 0.15 -0.09 0.00 -1.09 0.00 0.00 33.01 32.01 2phw s GLN 224 CO 0.04 -0.13 0.97 0.95 -1.32 0.00 0.00 175.29 175.80 2phw s THR 225 N -2.07 4.43 -0.43 3.63 -4.23 0.07 -4.87 115.64 112.18 2phw s THR 225 Ca 0.08 1.35 0.02 0.00 -1.18 0.00 0.00 61.69 61.96 2phw s THR 225 Cb -0.01 -3.65 0.12 0.00 1.34 0.00 0.00 72.50 70.31 2phw s THR 225 CO -0.05 -0.49 0.20 -1.00 -0.54 0.00 0.00 174.62 172.74 2phw s HIS 226 N -2.38 2.43 -0.37 3.99 0.09 -1.26 -3.35 115.29 114.44 2phw s HIS 226 Ca 0.61 -2.57 -0.14 0.00 -0.00 0.00 0.00 55.06 52.96 2phw s HIS 226 Cb -0.10 -2.21 -0.00 0.00 -0.00 0.00 0.00 32.58 30.27 2phw s HIS 226 CO 0.22 -0.81 0.28 0.99 -0.00 0.00 0.00 174.74 175.42 2phw s THR 227 N 0.44 5.26 -0.31 1.30 2.01 -0.61 -1.81 115.64 121.92 2phw s THR 227 Ca 0.16 -0.33 -0.21 0.00 0.31 0.00 0.00 61.69 61.62 2phw s THR 227 Cb -0.23 -3.80 -0.01 0.00 0.01 0.00 0.00 72.50 68.47 2phw s THR 227 CO -0.04 -0.13 0.65 -0.22 -0.69 0.00 0.00 174.62 174.19 2phw s LEU 228 N 1.76 4.15 -0.13 4.42 2.96 -0.17 -1.21 118.68 130.46 2phw s LEU 228 Ca 0.07 0.43 0.09 0.00 -0.22 0.00 0.00 54.13 54.49 2phw s LEU 228 Cb -0.18 -2.85 -0.23 0.00 0.50 0.00 0.00 46.19 43.43 2phw s LEU 228 CO 0.11 -0.51 0.32 -0.62 -1.32 0.00 0.00 176.35 174.32 2phw n GLU 229 N 5.94 0.68 -3.53 1.98 1.02 0.10 -1.44 120.64 125.38 2phw n GLU 229 Ca -0.00 0.19 -0.12 0.00 -0.02 0.00 0.00 57.16 57.20 2phw n GLU 229 Cb 0.49 -1.66 -0.04 0.00 -0.02 0.00 0.00 31.44 30.21 2phw n GLU 229 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2phw s SER 230 N -6.17 -0.41 -0.29 1.62 1.04 -1.21 -4.24 113.70 104.04 2phw s SER 230 Ca -0.14 -0.10 -0.15 0.00 0.48 0.00 0.00 55.95 56.04 2phw s SER 230 Cb 0.07 0.53 0.11 0.00 0.10 0.00 0.00 66.02 66.84 2phw s SER 230 CO 0.78 -0.88 0.80 0.86 0.98 0.00 0.00 173.24 175.78 2phw s TRP 231 N -3.57 -0.91 0.02 5.02 -0.00 -0.22 -2.47 118.94 116.82 2phw s TRP 231 Ca 0.01 1.77 0.05 0.00 -0.00 0.00 0.00 56.10 57.92 2phw s TRP 231 Cb 0.00 0.54 -0.02 0.00 -0.00 0.00 0.00 33.47 34.00 2phw s TRP 231 CO -0.11 -0.45 -0.14 -1.12 -0.00 0.00 0.00 176.95 175.13 2phw s SER 232 N 1.72 1.63 -0.04 5.86 0.01 0.48 0.43 113.70 123.80 2phw s SER 232 Ca -0.09 -0.38 -0.05 0.00 1.31 0.00 0.00 55.95 56.74 2phw s SER 232 Cb -0.05 -0.13 0.01 0.00 0.21 0.00 0.00 66.02 66.05 2phw s SER 232 CO -0.18 0.08 0.13 0.12 0.41 0.00 0.00 173.24 173.80 2phw s PHE 233 N -0.66 -0.09 -0.09 2.43 2.19 -0.10 -0.95 117.98 120.71 2phw s PHE 233 Ca 0.03 0.21 -0.08 0.00 0.33 0.00 0.00 56.93 57.42 2phw s PHE 233 Cb -0.07 0.02 0.03 0.00 -1.31 0.00 0.00 43.02 41.69 2phw s PHE 233 CO 0.01 -0.12 0.25 -0.08 1.83 0.00 0.00 175.22 177.10 2phw s THR 234 N -0.30 -0.00 -0.01 0.12 -1.32 -0.53 -1.08 115.64 112.51 2phw s THR 234 Ca -0.04 0.01 -0.03 0.00 -1.21 0.00 0.00 61.69 60.43 2phw s THR 234 Cb -0.03 -0.35 0.00 0.00 -1.51 0.00 0.00 72.50 70.61 2phw s THR 234 CO 0.00 0.01 0.06 -0.94 -2.21 0.00 0.00 174.62 171.54 2phw s SER 235 N 0.24 -0.01 -0.08 8.08 1.04 -0.08 -1.07 113.70 121.83 2phw s SER 235 Ca -0.01 -0.02 -0.03 0.00 0.48 0.00 0.00 55.95 56.37 2phw s SER 235 Cb -0.03 0.15 0.04 0.00 0.10 0.00 0.00 66.02 66.28 2phw s SER 235 CO -0.01 -0.12 0.16 -0.89 0.98 0.00 0.00 173.24 173.37 2phw s THR 236 N -0.42 -0.10 0.05 2.02 2.01 -0.96 -1.53 115.64 116.72 2phw s THR 236 Ca -0.05 0.21 -0.31 0.00 0.31 0.00 0.00 61.69 61.86 2phw s THR 236 Cb -0.03 -0.27 -0.06 0.00 0.01 0.00 0.00 72.50 72.15 2phw s THR 236 CO 0.00 0.09 1.31 -0.76 -0.69 0.00 0.00 174.62 174.57 2phw s LEU 237 N 1.43 4.35 0.13 4.42 1.43 -0.34 -1.33 118.68 128.76 2phw s LEU 237 Ca -0.07 2.11 0.08 0.00 -1.03 0.00 0.00 54.13 55.23 2phw s LEU 237 Cb -0.12 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 2phw s LEU 237 CO -0.06 -0.60 -0.19 -0.76 0.23 0.00 0.00 176.35 174.97 2phw s LEU 238 N 1.51 2.36 -0.10 1.79 1.43 -0.71 -4.92 118.68 120.04 2phw s LEU 238 Ca 0.61 -0.76 -0.19 0.00 -1.03 0.00 0.00 54.13 52.76 2phw s LEU 238 Cb -0.32 -0.83 -0.16 0.00 0.03 0.00 0.00 46.19 44.92 2phw s LEU 238 CO 0.28 0.00 0.61 0.10 0.23 0.00 0.00 176.35 177.57 2phw h TYR 239 N 3.70 -0.06 0.00 0.29 -0.00 -1.89 -2.00 116.97 117.01 2phw h TYR 239 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.29 2phw h TYR 239 Cb 1.19 0.02 0.00 0.00 0.00 0.00 0.00 36.73 37.94 2phw h TYR 239 CO 0.65 0.49 0.00 0.25 -0.00 0.00 0.00 178.16 179.55