#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dkw s LYS 3 N 0.00 2.27 0.90 4.33 1.02 -1.26 -5.03 119.74 121.96 1dkw s LYS 3 Ca 0.00 1.26 -0.13 0.00 0.02 0.00 0.00 55.97 57.12 1dkw s LYS 3 Cb 0.00 -1.89 0.14 0.00 -0.52 0.00 0.00 37.83 35.55 1dkw s LYS 3 CO 0.00 -1.65 1.20 -1.25 -0.92 0.00 0.00 175.35 172.74 1dkw s PRO 4 N -4.69 1.24 0.09 -1.68 0.04 -1.26 -4.94 135.00 123.80 1dkw s PRO 4 Ca 0.63 0.01 -0.36 0.00 0.04 0.00 0.00 61.00 61.33 1dkw s PRO 4 Cb -0.19 -1.88 -0.15 0.00 0.04 0.00 0.00 34.50 32.33 1dkw s PRO 4 CO 0.53 -2.07 1.49 0.94 0.04 0.00 0.00 177.00 177.93 1dkw n GLN 5 N -3.62 1.64 -2.62 4.56 7.27 -1.26 -4.96 117.38 118.39 1dkw n GLN 5 Ca 0.10 0.59 -0.33 0.00 0.07 0.00 0.00 57.00 57.43 1dkw n GLN 5 Cb 0.60 -2.30 -0.05 0.00 2.41 0.00 0.00 30.24 30.90 1dkw n GLN 5 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1dkw s PRO 6 N 1.01 4.02 -0.06 3.69 0.04 -1.26 -4.93 135.00 137.50 1dkw s PRO 6 Ca 0.83 1.14 0.05 0.00 0.04 0.00 0.00 61.00 63.06 1dkw s PRO 6 Cb -0.83 -2.14 -0.00 0.00 0.04 0.00 0.00 34.50 31.57 1dkw s PRO 6 CO 0.44 -0.22 -0.21 0.42 0.04 0.00 0.00 177.00 177.47 1dkw s ILE 7 N -2.26 1.79 -0.34 0.56 1.01 -0.92 -1.92 121.20 119.12 1dkw s ILE 7 Ca 0.62 -0.90 0.04 0.00 0.00 0.00 0.00 60.65 60.42 1dkw s ILE 7 Cb -0.11 -1.53 0.10 0.00 0.01 0.00 0.00 42.46 40.93 1dkw s ILE 7 CO 0.20 0.50 0.05 0.00 0.00 0.00 0.00 174.94 175.70 1dkw s ALA 8 N 0.09 2.91 -0.18 9.38 0.00 0.15 -1.58 121.76 132.53 1dkw s ALA 8 Ca -0.08 -2.54 -0.04 0.00 0.00 0.00 0.00 51.96 49.29 1dkw s ALA 8 Cb -0.14 -1.98 -0.03 0.00 0.00 0.00 0.00 23.12 20.97 1dkw s ALA 8 CO 0.04 -1.69 -0.02 0.00 0.00 0.00 0.00 175.76 174.09 1dkw s ALA 9 N 0.91 3.01 -0.15 0.00 0.00 0.90 -0.16 121.76 126.26 1dkw s ALA 9 Ca 0.11 -0.90 -0.02 0.00 0.00 0.00 0.00 51.96 51.15 1dkw s ALA 9 Cb -0.19 -1.65 -0.02 0.00 0.00 0.00 0.00 23.12 21.26 1dkw s ALA 9 CO -0.08 0.04 -0.09 0.00 0.00 0.00 0.00 175.76 175.64 1dkw s ALA 10 N 0.66 2.78 -0.20 0.00 0.00 0.10 -0.74 121.76 124.37 1dkw s ALA 10 Ca -0.01 -0.88 -0.10 0.00 0.00 0.00 0.00 51.96 50.96 1dkw s ALA 10 Cb -0.14 -1.39 -0.05 0.00 0.00 0.00 0.00 23.12 21.54 1dkw s ALA 10 CO 0.02 0.18 0.13 1.21 0.00 0.00 0.00 175.76 177.30 1dkw s ASN 11 N 0.45 6.16 -0.25 0.00 3.84 0.40 0.08 114.94 125.62 1dkw s ASN 11 Ca -0.07 0.21 -0.21 0.00 0.21 0.00 0.00 52.86 53.00 1dkw s ASN 11 Cb -0.15 -2.08 -0.02 0.00 -0.55 0.00 0.00 41.25 38.45 1dkw s ASN 11 CO 0.04 0.17 0.64 0.86 -2.79 0.00 0.00 177.10 176.01 1dkw s TRP 12 N 0.42 3.30 -0.17 0.43 -0.11 -0.64 -0.04 118.94 122.13 1dkw s TRP 12 Ca 0.08 0.84 -0.06 0.00 1.22 0.00 0.00 56.10 58.18 1dkw s TRP 12 Cb -0.11 -2.84 -0.03 0.00 -1.50 0.00 0.00 33.47 28.98 1dkw s TRP 12 CO -0.01 -0.31 0.02 0.15 -4.62 0.00 0.00 176.95 172.18 1dkw s LYS 13 N 2.43 3.80 0.48 5.86 1.02 -1.26 -4.74 119.74 127.33 1dkw s LYS 13 Ca 0.27 -0.42 -0.24 0.00 0.02 0.00 0.00 55.97 55.60 1dkw s LYS 13 Cb -0.16 -3.07 -0.07 0.00 -0.52 0.00 0.00 37.83 34.01 1dkw s LYS 13 CO 0.09 0.29 1.38 -1.54 -0.92 0.00 0.00 175.35 174.65 1dkw s SER 15 N 0.28 5.71 -0.09 2.83 1.04 -1.26 -3.74 113.70 118.48 1dkw s SER 15 Ca 0.01 2.82 -0.00 0.00 0.48 0.00 0.00 55.95 59.26 1dkw s SER 15 Cb -0.13 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.35 1dkw s SER 15 CO 0.01 -1.28 0.07 0.61 0.98 0.00 0.00 173.24 173.64 1dkw n GLY 16 N 0.63 0.58 3.94 7.32 0.00 -1.26 -5.07 105.19 111.34 1dkw n GLY 16 Ca 0.07 -0.51 -0.26 0.00 0.00 0.00 0.00 46.02 45.31 1dkw n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dkw s SER 17 N -3.06 6.34 0.15 1.61 0.01 -1.25 -5.00 113.70 112.51 1dkw s SER 17 Ca 0.02 0.18 0.21 0.00 1.31 0.00 0.00 55.95 57.67 1dkw s SER 17 Cb -0.01 -1.91 0.87 0.00 0.21 0.00 0.00 66.02 65.17 1dkw s SER 17 CO 0.05 0.05 1.65 -0.81 0.41 0.00 0.00 173.24 174.60 1dkw n PRO 18 N -0.52 0.13 -3.54 12.44 -0.04 -1.26 -4.77 135.00 137.44 1dkw n PRO 18 Ca -0.07 0.32 -0.23 0.00 -0.04 0.00 0.00 63.50 63.48 1dkw n PRO 18 Cb 0.54 -1.72 -0.01 0.00 -0.04 0.00 0.00 33.50 32.26 1dkw n PRO 18 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1dkw s ASP 19 N -3.80 6.29 -0.20 3.54 1.01 -1.26 -5.10 116.67 117.15 1dkw s ASP 19 Ca 0.06 0.34 -0.09 0.00 0.71 0.00 0.00 52.55 53.57 1dkw s ASP 19 Cb 0.10 -1.97 -0.05 0.00 1.01 0.00 0.00 42.92 42.02 1dkw s ASP 19 CO 0.38 -0.24 0.12 -0.55 0.21 0.00 0.00 175.17 175.09 1dkw s SER 20 N -4.02 6.03 0.18 0.27 0.15 -1.26 -5.01 113.70 110.04 1dkw s SER 20 Ca 0.38 0.17 -0.17 0.00 0.70 0.00 0.00 55.95 57.04 1dkw s SER 20 Cb -0.09 -2.06 0.14 0.00 -1.71 0.00 0.00 66.02 62.30 1dkw s SER 20 CO 0.34 0.16 1.64 0.25 1.20 0.00 0.00 173.24 176.83 1dkw h LEU 21 N 6.81 -0.59 -0.05 3.45 5.85 -1.99 -1.87 115.31 126.92 1dkw h LEU 21 Ca -0.39 0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.49 1dkw h LEU 21 Cb 1.16 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 42.53 1dkw h LEU 21 CO 0.73 -0.20 0.01 0.28 -0.34 0.00 0.00 178.44 178.92 1dkw h SER 22 N -0.06 0.00 0.09 1.25 0.02 -1.99 -1.70 113.55 111.18 1dkw h SER 22 Ca 0.23 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 1dkw h SER 22 Cb 0.41 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.96 1dkw h SER 22 CO -0.53 0.01 -0.05 -0.08 -1.14 0.00 0.00 176.83 175.04 1dkw h GLU 23 N 0.03 0.00 0.25 3.45 4.81 -1.82 -1.58 114.58 119.72 1dkw h GLU 23 Ca 0.02 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.92 1dkw h GLU 23 Cb 0.02 0.00 0.04 0.00 0.63 0.00 0.00 28.75 29.43 1dkw h GLU 23 CO -0.03 0.05 -1.46 -0.07 -0.73 0.00 0.00 179.01 176.77 1dkw h LEU 24 N 0.00 0.82 -1.23 1.64 3.38 -1.05 -2.77 115.31 116.09 1dkw h LEU 24 Ca -0.00 -0.92 -0.04 0.00 0.09 0.00 0.00 57.88 57.00 1dkw h LEU 24 Cb 0.11 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1dkw h LEU 24 CO 0.01 1.70 0.06 0.40 0.09 0.00 0.00 178.44 180.70 1dkw h ILE 25 N 0.11 1.19 -0.29 1.22 2.04 -0.82 -1.79 117.51 119.17 1dkw h ILE 25 Ca -0.26 -0.72 -0.07 0.00 1.00 0.00 0.00 64.86 64.82 1dkw h ILE 25 Cb 2.14 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 39.04 1dkw h ILE 25 CO 0.26 0.25 -0.07 0.44 0.00 0.00 0.00 178.15 179.04 1dkw h ASP 26 N 0.57 0.57 -0.23 1.72 5.19 -1.37 -0.04 116.42 122.83 1dkw h ASP 26 Ca 0.13 -0.37 0.05 0.00 -0.62 0.00 0.00 57.03 56.22 1dkw h ASP 26 Cb 0.27 -0.16 -0.05 0.00 0.18 0.00 0.00 39.33 39.58 1dkw h ASP 26 CO 0.00 0.81 -0.09 0.25 -3.12 0.00 0.00 179.24 177.09 1dkw h LEU 27 N 0.33 -0.31 -0.16 1.55 6.46 -1.15 -2.69 115.31 119.33 1dkw h LEU 27 Ca 0.07 0.08 -0.03 0.00 -0.12 0.00 0.00 57.88 57.89 1dkw h LEU 27 Cb 0.56 0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.67 1dkw h LEU 27 CO 0.03 -0.12 -0.02 -0.26 -0.62 0.00 0.00 178.44 177.46 1dkw h PHE 28 N -0.05 0.33 -0.87 1.25 0.04 -1.27 -2.66 116.94 113.70 1dkw h PHE 28 Ca 0.12 -0.06 0.24 0.00 2.80 0.00 0.00 57.97 61.07 1dkw h PHE 28 Cb 0.23 -0.08 -0.04 0.00 2.20 0.00 0.00 35.95 38.26 1dkw h PHE 28 CO -0.27 0.54 0.62 -0.91 -0.60 0.00 0.00 178.31 177.69 1dkw h ASN 29 N 0.02 0.06 -0.48 2.17 2.35 -0.94 -0.69 115.58 118.08 1dkw h ASN 29 Ca 0.04 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1dkw h ASN 29 Cb 0.42 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1dkw h ASN 29 CO 0.01 0.02 0.00 -1.54 -1.65 0.00 0.00 177.43 174.27 1dkw n SER 30 N -4.31 4.54 -4.67 5.81 3.41 -1.02 -4.76 113.62 112.61 1dkw n SER 30 Ca 0.18 -2.68 -0.37 0.00 -0.26 0.00 0.00 58.87 55.74 1dkw n SER 30 Cb 0.90 -0.55 -0.09 0.00 -0.26 0.00 0.00 64.21 64.21 1dkw n SER 30 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1dkw s THR 31 N -2.26 5.34 -0.18 6.66 2.01 -0.27 -5.05 115.64 121.89 1dkw s THR 31 Ca 0.46 0.28 -0.29 0.00 0.31 0.00 0.00 61.69 62.45 1dkw s THR 31 Cb 0.33 -3.54 -0.00 0.00 0.01 0.00 0.00 72.50 69.30 1dkw s THR 31 CO 0.17 0.35 1.06 -0.44 -0.69 0.00 0.00 174.62 175.06 1dkw s SER 32 N 0.93 7.12 -0.20 3.53 0.01 -1.26 -5.02 113.70 118.81 1dkw s SER 32 Ca 0.10 1.47 0.01 0.00 1.31 0.00 0.00 55.95 58.84 1dkw s SER 32 Cb -0.13 -2.55 0.04 0.00 0.21 0.00 0.00 66.02 63.59 1dkw s SER 32 CO 0.04 -0.61 -0.13 -0.63 0.41 0.00 0.00 173.24 172.32 1dkw s ILE 33 N 2.84 1.80 -2.15 1.44 1.01 -1.26 -5.03 121.20 119.86 1dkw s ILE 33 Ca 0.47 -1.07 0.19 0.00 0.00 0.00 0.00 60.65 60.24 1dkw s ILE 33 Cb -0.17 -1.82 0.27 0.00 0.01 0.00 0.00 42.46 40.75 1dkw s ILE 33 CO 0.11 0.23 1.21 0.59 0.00 0.00 0.00 174.94 177.08 1dkw n ASN 34 N 4.64 2.92 -4.68 3.58 3.02 -1.26 -4.99 115.26 118.48 1dkw n ASN 34 Ca -0.16 -1.86 -0.27 0.00 -0.03 0.00 0.00 54.58 52.26 1dkw n ASN 34 Cb 0.47 -0.13 -0.09 0.00 -0.61 0.00 0.00 39.78 39.42 1dkw n ASN 34 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 1dkw s HIS 35 N -1.41 2.50 -0.48 3.10 -3.43 -1.26 -5.08 115.29 109.23 1dkw s HIS 35 Ca 0.28 -0.66 -0.29 0.00 -0.80 0.00 0.00 55.06 53.60 1dkw s HIS 35 Cb 0.18 -1.85 0.02 0.00 -1.43 0.00 0.00 32.58 29.50 1dkw s HIS 35 CO 0.25 0.31 1.30 0.34 -2.00 0.00 0.00 174.74 174.94 1dkw s ASP 36 N -3.81 6.40 -0.24 7.38 2.15 -1.26 -4.96 116.67 122.33 1dkw s ASP 36 Ca 0.36 0.51 -0.11 0.00 0.43 0.00 0.00 52.55 53.74 1dkw s ASP 36 Cb 0.07 -2.55 0.08 0.00 -0.30 0.00 0.00 42.92 40.23 1dkw s ASP 36 CO 0.19 -1.44 0.55 0.54 -0.17 0.00 0.00 175.17 174.84 1dkw s VAL 37 N 5.21 -0.29 -0.25 1.11 0.11 -1.26 -4.43 120.40 120.60 1dkw s VAL 37 Ca 0.53 0.06 -0.24 0.00 -2.93 0.00 0.00 61.98 59.39 1dkw s VAL 37 Cb -0.10 -0.83 -0.00 0.00 -1.53 0.00 0.00 36.38 33.92 1dkw s VAL 37 CO 0.30 0.02 0.83 -1.58 -3.33 0.00 0.00 175.10 171.34 1dkw s GLN 38 N 1.95 4.16 -0.27 1.54 2.00 -0.81 -4.90 119.66 123.33 1dkw s GLN 38 Ca -0.08 0.90 -0.10 0.00 -2.00 0.00 0.00 55.36 54.08 1dkw s GLN 38 Cb -0.08 -3.66 -0.04 0.00 0.80 0.00 0.00 33.01 30.03 1dkw s GLN 38 CO -0.16 -0.54 0.15 0.00 -0.50 0.00 0.00 175.29 174.24 1dkw s VAL 40 N 1.66 3.18 -0.35 0.00 1.01 0.77 -0.24 120.40 126.43 1dkw s VAL 40 Ca 0.07 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 1dkw s VAL 40 Cb -0.16 -2.33 0.06 0.00 0.00 0.00 0.00 36.38 33.95 1dkw s VAL 40 CO 0.08 0.53 0.12 -0.69 0.00 0.00 0.00 175.10 175.15 1dkw s VAL 41 N 0.16 3.56 -0.19 2.92 1.01 0.11 0.03 120.40 128.00 1dkw s VAL 41 Ca -0.06 -1.40 -0.16 0.00 0.00 0.00 0.00 61.98 60.35 1dkw s VAL 41 Cb -0.15 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1dkw s VAL 41 CO 0.05 -0.30 0.42 0.00 0.00 0.00 0.00 175.10 175.26 1dkw s ALA 42 N 1.32 3.55 0.22 5.51 0.00 0.11 -1.11 121.76 131.37 1dkw s ALA 42 Ca -0.00 -0.48 0.09 0.00 0.00 0.00 0.00 51.96 51.57 1dkw s ALA 42 Cb -0.21 -2.66 -0.05 0.00 0.00 0.00 0.00 23.12 20.20 1dkw s ALA 42 CO 0.00 -0.30 -0.16 0.45 0.00 0.00 0.00 175.76 175.76 1dkw s SER 43 N 1.02 2.86 0.64 0.00 0.15 -0.63 -1.63 113.70 116.11 1dkw s SER 43 Ca 0.20 -1.02 -0.11 0.00 0.70 0.00 0.00 55.95 55.73 1dkw s SER 43 Cb -0.15 -0.18 -0.02 0.00 -1.71 0.00 0.00 66.02 63.96 1dkw s SER 43 CO 0.08 -0.11 1.03 0.42 1.20 0.00 0.00 173.24 175.87 1dkw s THR 44 N -2.83 4.32 0.46 6.45 -4.23 -1.26 -3.61 115.64 114.94 1dkw s THR 44 Ca 0.24 0.69 0.18 0.00 -1.18 0.00 0.00 61.69 61.63 1dkw s THR 44 Cb -0.02 -3.74 0.37 0.00 1.34 0.00 0.00 72.50 70.45 1dkw s THR 44 CO 0.09 -0.95 1.95 2.19 -0.54 0.00 0.00 174.62 177.36 1dkw h PHE 45 N -0.38 0.33 -0.07 3.99 -5.15 -1.97 -1.70 116.94 111.99 1dkw h PHE 45 Ca -0.44 0.01 -0.17 0.00 -0.20 0.00 0.00 57.97 57.17 1dkw h PHE 45 Cb 1.21 -0.10 -0.01 0.00 0.22 0.00 0.00 35.95 37.27 1dkw h PHE 45 CO 0.60 0.13 -0.68 -0.39 -2.00 0.00 0.00 178.31 175.98 1dkw h VAL 46 N 0.29 1.39 0.00 0.88 -1.51 -2.05 -3.15 116.25 112.10 1dkw h VAL 46 Ca 0.32 -2.11 0.00 0.00 -1.23 0.00 0.00 66.70 63.69 1dkw h VAL 46 Cb 0.86 2.08 0.00 0.00 -2.13 0.00 0.00 31.29 32.11 1dkw h VAL 46 CO -0.08 0.63 -0.59 1.41 -1.23 0.00 0.00 177.57 177.70 1dkw n HIS 47 N -3.84 0.56 -0.10 5.19 8.25 -0.78 -4.57 115.22 119.93 1dkw n HIS 47 Ca -0.03 0.16 -0.13 0.00 -0.26 0.00 0.00 57.72 57.46 1dkw n HIS 47 Cb 0.67 -0.66 -0.08 0.00 1.12 0.00 0.00 29.99 31.04 1dkw n HIS 47 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1dkw h LEU 48 N 0.00 -1.69 -1.58 2.41 4.07 -1.29 -2.10 115.31 115.12 1dkw h LEU 48 Ca 0.00 0.23 0.13 0.00 0.08 0.00 0.00 57.88 58.32 1dkw h LEU 48 Cb 0.74 0.70 -0.05 0.00 1.08 0.00 0.00 40.66 43.13 1dkw h LEU 48 CO 0.00 -0.42 0.48 0.00 -1.08 0.00 0.00 178.44 177.42 1dkw h ALA 49 N 0.03 2.07 -0.02 1.53 0.00 -1.80 -0.60 119.26 120.46 1dkw h ALA 49 Ca 0.08 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.80 1dkw h ALA 49 Cb 0.62 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1dkw h ALA 49 CO -0.54 -0.25 -0.80 1.98 0.00 0.00 0.00 179.25 179.64 1dkw h MET 50 N 0.43 0.22 -0.24 0.00 1.85 -1.69 -3.01 114.93 112.49 1dkw h MET 50 Ca 0.34 -0.21 -0.18 0.00 -0.61 0.00 0.00 59.70 59.04 1dkw h MET 50 Cb 0.74 0.05 -0.00 0.00 0.43 0.00 0.00 31.60 32.83 1dkw h MET 50 CO -0.11 0.91 -0.58 1.79 -0.40 0.00 0.00 176.91 178.52 1dkw h THR 51 N 0.14 1.29 -0.31 -0.77 1.35 -0.59 -0.69 112.91 113.33 1dkw h THR 51 Ca -0.03 -1.79 -0.14 0.00 -0.55 0.00 0.00 66.41 63.90 1dkw h THR 51 Cb 1.39 1.72 -0.00 0.00 -1.73 0.00 0.00 68.15 69.52 1dkw h THR 51 CO 0.12 0.57 -0.35 0.50 -0.25 0.00 0.00 175.52 176.12 1dkw h LYS 52 N 0.59 0.78 -0.40 4.72 3.64 -1.45 0.92 116.57 125.37 1dkw h LYS 52 Ca 0.00 -0.43 -0.09 0.00 -1.27 0.00 0.00 60.65 58.87 1dkw h LYS 52 Cb 1.17 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 1dkw h LYS 52 CO 0.12 1.06 -0.13 1.49 -2.27 0.00 0.00 179.45 179.72 1dkw h GLU 53 N 0.54 0.72 0.03 1.90 4.81 -1.50 -3.36 114.58 117.73 1dkw h GLU 53 Ca 0.04 -0.24 -0.32 0.00 -0.13 0.00 0.00 59.36 58.71 1dkw h GLU 53 Cb 0.93 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.21 1dkw h GLU 53 CO 0.08 0.82 -1.75 0.54 -0.73 0.00 0.00 179.01 177.98 1dkw n ARG 54 N -4.16 0.62 -2.01 1.92 5.12 -0.27 -4.89 116.66 112.99 1dkw n ARG 54 Ca 0.01 0.42 -0.42 0.00 -1.93 0.00 0.00 57.85 55.92 1dkw n ARG 54 Cb 0.37 -1.68 -0.03 0.00 -1.16 0.00 0.00 32.46 29.96 1dkw n ARG 54 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1dkw s LEU 55 N -7.51 4.33 0.00 0.55 2.96 0.31 -4.87 118.68 114.45 1dkw s LEU 55 Ca -0.29 2.27 0.00 0.00 -0.22 0.00 0.00 54.13 55.88 1dkw s LEU 55 Cb 0.08 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.23 1dkw s LEU 55 CO 0.62 -0.90 0.35 -1.54 -1.32 0.00 0.00 176.35 173.55 1dkw n SER 56 N 6.75 0.43 -4.72 3.68 3.41 -1.26 -4.84 113.62 117.07 1dkw n SER 56 Ca 0.17 -1.12 -0.42 0.00 -0.26 0.00 0.00 58.87 57.24 1dkw n SER 56 Cb 0.42 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.34 1dkw n SER 56 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1dkw s HIS 57 N -0.12 2.89 0.41 7.33 5.04 -1.26 -4.89 115.29 124.68 1dkw s HIS 57 Ca 0.00 0.40 0.11 0.00 -1.54 0.00 0.00 55.06 54.03 1dkw s HIS 57 Cb 0.00 -4.07 0.92 0.00 0.04 0.00 0.00 32.58 29.46 1dkw s HIS 57 CO 0.00 -4.08 1.97 -1.35 -2.34 0.00 0.00 174.74 168.94 1dkw h PRO 58 N 6.97 0.52 -0.33 2.88 0.11 -1.97 -2.20 132.00 137.98 1dkw h PRO 58 Ca -0.43 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1dkw h PRO 58 Cb 1.20 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1dkw h PRO 58 CO 0.94 0.35 0.00 1.63 -0.21 0.00 0.00 178.00 180.71 1dkw n LYS 59 N -4.48 1.80 -4.84 1.05 5.02 -1.26 -4.89 118.16 110.57 1dkw n LYS 59 Ca 0.10 -1.24 -0.32 0.00 -2.02 0.00 0.00 58.31 54.83 1dkw n LYS 59 Cb 0.32 -1.29 -0.13 0.00 -0.02 0.00 0.00 35.03 33.90 1dkw n LYS 59 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1dkw s PHE 60 N -1.57 2.64 0.30 2.13 0.40 -0.83 -1.26 117.98 119.79 1dkw s PHE 60 Ca 0.25 -0.20 0.06 0.00 -0.60 0.00 0.00 56.93 56.44 1dkw s PHE 60 Cb 0.13 -1.57 -0.06 0.00 0.51 0.00 0.00 43.02 42.03 1dkw s PHE 60 CO 0.17 0.20 -0.03 0.14 0.70 0.00 0.00 175.22 176.40 1dkw s VAL 61 N -0.79 1.57 -0.05 -0.44 -7.23 0.66 -4.86 120.40 109.26 1dkw s VAL 61 Ca 0.13 -2.09 -0.00 0.00 -1.81 0.00 0.00 61.98 58.21 1dkw s VAL 61 Cb -0.11 -2.56 -0.03 0.00 0.56 0.00 0.00 36.38 34.24 1dkw s VAL 61 CO 0.02 -0.22 -0.01 0.27 -0.31 0.00 0.00 175.10 174.85 1dkw s ILE 62 N -3.06 4.13 0.22 -0.62 -4.36 -1.26 -0.71 121.20 115.55 1dkw s ILE 62 Ca 0.31 -0.41 0.10 0.00 -0.26 0.00 0.00 60.65 60.39 1dkw s ILE 62 Cb 0.05 -2.76 -0.04 0.00 1.25 0.00 0.00 42.46 40.96 1dkw s ILE 62 CO 0.13 0.53 -0.14 0.00 0.24 0.00 0.00 174.94 175.70 1dkw s ALA 63 N -0.94 2.84 0.35 2.27 0.00 -0.27 -3.88 121.76 122.13 1dkw s ALA 63 Ca 0.15 -1.65 0.03 0.00 0.00 0.00 0.00 51.96 50.50 1dkw s ALA 63 Cb -0.11 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.46 1dkw s ALA 63 CO 0.05 0.37 0.52 0.00 0.00 0.00 0.00 175.76 176.70 1dkw s ALA 64 N -2.02 3.94 -0.01 0.00 0.00 -0.63 -1.60 121.76 121.45 1dkw s ALA 64 Ca 0.26 -1.20 0.08 0.00 0.00 0.00 0.00 51.96 51.10 1dkw s ALA 64 Cb -0.07 -1.90 -0.02 0.00 0.00 0.00 0.00 23.12 21.13 1dkw s ALA 64 CO 0.15 -0.08 -0.24 -0.65 0.00 0.00 0.00 175.76 174.94 1dkw s GLN 65 N -4.27 2.10 -0.38 0.00 -0.21 -1.24 -1.69 119.66 113.98 1dkw s GLN 65 Ca 0.43 -0.93 0.00 0.00 0.02 0.00 0.00 55.36 54.87 1dkw s GLN 65 Cb -0.10 -2.08 0.00 0.00 1.00 0.00 0.00 33.01 31.84 1dkw s GLN 65 CO 0.33 0.56 0.00 0.09 -2.12 0.00 0.00 175.29 174.15 1dkw n ASN 66 N 2.28 -2.67 -4.76 5.90 3.02 -0.86 -4.93 115.26 113.24 1dkw n ASN 66 Ca -0.16 0.09 -0.37 0.00 -0.03 0.00 0.00 54.58 54.10 1dkw n ASN 66 Cb 0.51 -2.11 0.01 0.00 -0.61 0.00 0.00 39.78 37.58 1dkw n ASN 66 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1dkw s ALA 67 N -0.96 2.90 0.00 5.41 0.00 -1.26 -4.90 121.76 122.95 1dkw s ALA 67 Ca 0.00 1.03 0.00 0.00 0.00 0.00 0.00 51.96 52.99 1dkw s ALA 67 Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1dkw s ALA 67 CO 0.00 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.30 1dkw n GLY 68 N 0.50 1.00 3.68 0.00 0.00 -1.26 -4.96 105.19 104.15 1dkw n GLY 68 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1dkw n GLY 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1dkw s ASN 69 N 0.00 6.34 0.19 1.61 2.47 -1.26 -4.90 114.94 119.39 1dkw s ASN 69 Ca 0.00 0.39 -0.18 0.00 0.42 0.00 0.00 52.86 53.49 1dkw s ASN 69 Cb 0.00 -2.18 0.15 0.00 -1.45 0.00 0.00 41.25 37.77 1dkw s ASN 69 CO 0.00 0.01 1.61 1.05 -3.72 0.00 0.00 177.10 176.05 1dkw h GLU 70 N 7.25 -0.11 -1.00 0.43 4.11 -1.97 0.50 114.58 123.78 1dkw h GLU 70 Ca -0.38 0.01 0.08 0.00 0.07 0.00 0.00 59.36 59.14 1dkw h GLU 70 Cb 1.16 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.37 1dkw h GLU 70 CO 0.71 -0.08 0.64 -0.44 0.07 0.00 0.00 179.01 179.92 1dkw h ASP 71 N -0.12 1.01 -0.27 3.06 3.32 -2.00 -2.16 116.42 119.27 1dkw h ASP 71 Ca 0.24 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 1dkw h ASP 71 Cb 0.50 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1dkw h ASP 71 CO -0.61 0.62 0.06 -1.28 -1.72 0.00 0.00 179.24 176.31 1dkw h SER 72 N 1.13 0.42 -0.64 6.45 0.87 -1.38 -1.13 113.55 119.27 1dkw h SER 72 Ca 0.44 -0.24 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 1dkw h SER 72 Cb 0.24 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.05 1dkw h SER 72 CO -0.19 0.56 0.37 -0.07 -0.53 0.00 0.00 176.83 176.96 1dkw h LEU 80 N 0.27 0.80 -0.49 2.23 3.38 -0.85 0.49 115.31 121.14 1dkw h LEU 80 Ca 0.08 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1dkw h LEU 80 Cb 0.31 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1dkw h LEU 80 CO 0.00 0.64 -0.05 -0.65 0.09 0.00 0.00 178.44 178.47 1dkw h PRO 81 N 0.91 0.90 -0.62 1.13 0.12 -1.31 -2.30 132.00 130.82 1dkw h PRO 81 Ca 0.23 -0.31 0.01 0.00 0.12 0.00 0.00 66.00 66.05 1dkw h PRO 81 Cb 0.01 -0.07 -0.03 0.00 0.12 0.00 0.00 31.00 31.03 1dkw h PRO 81 CO -0.04 0.96 0.41 1.03 0.12 0.00 0.00 178.00 180.48 1dkw h SER 82 N 0.75 0.72 -0.87 -2.05 0.87 -0.36 -1.21 113.55 111.40 1dkw h SER 82 Ca 0.13 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 1dkw h SER 82 Cb 0.58 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.32 1dkw h SER 82 CO 0.03 0.52 0.45 -0.07 -0.53 0.00 0.00 176.83 177.24 1dkw h LEU 83 N 0.85 1.11 -0.20 2.23 3.38 -0.87 -1.83 115.31 119.99 1dkw h LEU 83 Ca 0.23 -0.11 -0.19 0.00 0.09 0.00 0.00 57.88 57.89 1dkw h LEU 83 Cb -0.09 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.38 1dkw h LEU 83 CO -0.05 0.91 -0.62 0.07 0.09 0.00 0.00 178.44 178.84 1dkw h LYS 84 N 1.23 0.77 -0.69 1.13 -0.00 -0.97 -0.59 116.57 117.46 1dkw h LYS 84 Ca 0.30 -0.57 0.09 0.00 -0.00 0.00 0.00 60.65 60.47 1dkw h LYS 84 Cb 0.07 0.10 -0.07 0.00 -0.00 0.00 0.00 32.23 32.33 1dkw h LYS 84 CO -0.04 1.19 0.34 -0.44 -0.00 0.00 0.00 179.45 180.50 1dkw h ASP 85 N 0.50 0.46 0.31 7.07 5.19 -1.20 -0.13 116.42 128.63 1dkw h ASP 85 Ca -0.02 0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.43 1dkw h ASP 85 Cb 1.25 -0.02 -0.00 0.00 0.18 0.00 0.00 39.33 40.73 1dkw h ASP 85 CO 0.13 0.27 -0.07 0.15 -3.12 0.00 0.00 179.24 176.60 1dkw h PHE 86 N 0.60 0.00 0.00 4.55 3.57 -1.10 -3.46 116.94 121.10 1dkw h PHE 86 Ca 0.33 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.83 1dkw h PHE 86 Cb 0.33 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.07 1dkw h PHE 86 CO -0.11 0.07 0.00 0.41 -2.23 0.00 0.00 178.31 176.46 1dkw n GLY 87 N -0.78 1.76 3.31 2.40 0.00 -0.06 -5.08 105.19 106.74 1dkw n GLY 87 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 1dkw n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dkw s VAL 88 N -2.00 2.77 0.00 1.61 1.01 -0.28 -4.93 120.40 118.58 1dkw s VAL 88 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.23 1dkw s VAL 88 Cb 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.23 1dkw s VAL 88 CO 0.00 0.52 0.00 0.59 0.00 0.00 0.00 175.10 176.21 1dkw n ASN 89 N 3.73 0.19 -4.86 3.32 3.02 -1.26 -3.67 115.26 115.74 1dkw n ASN 89 Ca -0.19 -0.36 -0.22 0.00 -0.03 0.00 0.00 54.58 53.78 1dkw n ASN 89 Cb 0.52 0.76 -0.04 0.00 -0.61 0.00 0.00 39.78 40.42 1dkw n ASN 89 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1dkw s TRP 90 N -0.80 3.20 -0.17 3.10 0.52 -1.25 0.36 118.94 123.90 1dkw s TRP 90 Ca 0.00 -0.08 -0.24 0.00 0.02 0.00 0.00 56.10 55.80 1dkw s TRP 90 Cb 0.00 -1.45 0.06 0.00 -1.15 0.00 0.00 33.47 30.93 1dkw s TRP 90 CO 0.00 0.50 0.63 -1.50 0.02 0.00 0.00 176.95 176.60 1dkw s ILE 91 N -2.07 0.00 -0.15 2.03 2.07 -0.93 -1.60 121.20 120.56 1dkw s ILE 91 Ca 0.33 -0.03 -0.03 0.00 -1.41 0.00 0.00 60.65 59.51 1dkw s ILE 91 Cb -0.08 -0.90 -0.02 0.00 0.13 0.00 0.00 42.46 41.58 1dkw s ILE 91 CO 0.26 -0.02 -0.06 -0.69 -1.91 0.00 0.00 174.94 172.52 1dkw s VAL 92 N -0.21 3.65 0.16 4.00 1.01 -0.68 -0.73 120.40 127.61 1dkw s VAL 92 Ca -0.04 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.53 1dkw s VAL 92 Cb -0.03 -2.59 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 1dkw s VAL 92 CO 0.04 0.50 -0.06 -0.76 0.00 0.00 0.00 175.10 174.82 1dkw s LEU 93 N 0.36 2.37 -1.30 3.92 1.43 0.61 -2.03 118.68 124.05 1dkw s LEU 93 Ca -0.06 -1.09 0.00 0.00 -1.03 0.00 0.00 54.13 51.95 1dkw s LEU 93 Cb -0.15 -0.24 0.00 0.00 0.03 0.00 0.00 46.19 45.83 1dkw s LEU 93 CO 0.04 -0.43 0.00 0.61 0.23 0.00 0.00 176.35 176.79 1dkw n GLY 94 N -0.24 1.01 3.69 -3.19 0.00 -1.26 0.12 105.19 105.32 1dkw n GLY 94 Ca -0.09 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 1dkw n GLY 94 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1dkw s HIS 95 N -2.51 1.76 0.21 1.61 2.46 -1.26 -4.30 115.29 113.25 1dkw s HIS 95 Ca 0.00 1.70 -0.17 0.00 0.47 0.00 0.00 55.06 57.06 1dkw s HIS 95 Cb 0.00 -3.45 0.21 0.00 -0.13 0.00 0.00 32.58 29.21 1dkw s HIS 95 CO 0.00 -2.83 1.58 0.66 -2.47 0.00 0.00 174.74 171.68 1dkw h SER 96 N -1.15 -1.11 0.06 9.88 4.64 -1.94 -1.39 113.55 122.55 1dkw h SER 96 Ca -0.45 0.25 -0.01 0.00 -0.47 0.00 0.00 61.79 61.11 1dkw h SER 96 Cb 1.29 0.59 -0.00 0.00 -0.31 0.00 0.00 62.40 63.97 1dkw h SER 96 CO 0.45 -0.29 -0.03 1.05 -0.87 0.00 0.00 176.83 177.14 1dkw h GLU 97 N -0.08 0.00 -0.06 4.77 9.09 -1.97 -0.25 114.58 126.08 1dkw h GLU 97 Ca 0.30 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.61 1dkw h GLU 97 Cb 0.57 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.66 1dkw h GLU 97 CO -0.79 0.03 -0.42 0.00 0.05 0.00 0.00 179.01 177.89 1dkw h ARG 98 N 0.00 0.14 0.19 1.06 2.47 -1.58 0.49 114.38 117.14 1dkw h ARG 98 Ca -0.00 -0.06 -0.33 0.00 -1.26 0.00 0.00 59.98 58.32 1dkw h ARG 98 Cb 0.07 -0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.41 1dkw h ARG 98 CO 0.00 0.54 -1.59 0.00 0.56 0.00 0.00 179.97 179.48 1dkw h ARG 99 N 0.11 0.40 0.07 0.04 3.08 -1.04 0.83 114.38 117.87 1dkw h ARG 99 Ca 0.01 -0.68 -0.34 0.00 0.07 0.00 0.00 59.98 59.04 1dkw h ARG 99 Cb 0.80 0.25 -0.03 0.00 0.08 0.00 0.00 29.97 31.07 1dkw h ARG 99 CO 0.06 1.30 -1.94 -2.67 -1.07 0.00 0.00 179.97 175.66 1dkw n TRP 100 N -3.59 1.08 -0.12 3.04 4.27 -0.69 -4.00 117.44 117.42 1dkw n TRP 100 Ca -0.19 0.28 -0.23 0.00 -3.89 0.00 0.00 57.50 53.47 1dkw n TRP 100 Cb 1.07 -1.16 -0.11 0.00 -1.36 0.00 0.00 31.31 29.75 1dkw n TRP 100 CO 0.00 0.00 0.00 0.98 -2.29 0.00 0.00 177.69 176.38 1dkw n TYR 101 N -3.30 0.12 1.20 -2.67 9.36 0.17 -4.66 117.16 117.38 1dkw n TYR 101 Ca -0.28 0.04 0.13 0.00 3.32 0.00 0.00 57.90 61.11 1dkw n TYR 101 Cb 1.05 -1.01 0.40 0.00 -0.63 0.00 0.00 39.34 39.14 1dkw n TYR 101 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1dkw n TYR 102 N -3.68 0.00 -1.49 2.98 4.01 -1.08 -4.94 117.16 112.98 1dkw n TYR 102 Ca -0.48 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.25 1dkw n TYR 102 Cb 0.95 -0.18 -0.00 0.00 -0.31 0.00 0.00 39.34 39.79 1dkw n TYR 102 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1dkw n GLY 103 N 1.37 0.41 3.58 2.72 0.00 -1.11 -5.00 105.19 107.15 1dkw n GLY 103 Ca 0.11 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 1dkw n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dkw s GLU 104 N -3.00 3.45 1.03 1.61 2.02 0.29 -4.97 118.70 119.12 1dkw s GLU 104 Ca 0.00 0.17 -0.15 0.00 0.02 0.00 0.00 54.97 55.00 1dkw s GLU 104 Cb 0.00 -4.05 0.21 0.00 0.10 0.00 0.00 34.13 30.39 1dkw s GLU 104 CO 0.00 -1.77 1.17 0.95 0.02 0.00 0.00 175.26 175.63 1dkw s THR 105 N 5.12 1.87 0.16 3.63 -4.23 -1.26 -4.08 115.64 116.85 1dkw s THR 105 Ca 0.42 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.76 1dkw s THR 105 Cb -0.08 -2.70 0.06 0.00 1.34 0.00 0.00 72.50 71.12 1dkw s THR 105 CO 0.24 0.00 1.70 0.78 -0.54 0.00 0.00 174.62 176.79 1dkw h ASN 106 N -1.93 -0.16 -0.87 3.99 2.35 -1.94 -0.51 115.58 116.50 1dkw h ASN 106 Ca -0.48 0.09 0.01 0.00 -0.55 0.00 0.00 56.30 55.37 1dkw h ASN 106 Cb 1.30 0.16 -0.04 0.00 0.05 0.00 0.00 38.32 39.78 1dkw h ASN 106 CO 0.47 -0.05 0.57 -0.33 -1.65 0.00 0.00 177.43 176.45 1dkw h GLU 107 N 0.10 1.13 -0.34 0.81 3.07 -1.94 0.21 114.58 117.61 1dkw h GLU 107 Ca 0.18 -0.07 -0.10 0.00 -0.50 0.00 0.00 59.36 58.88 1dkw h GLU 107 Cb 0.26 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 1dkw h GLU 107 CO -0.31 0.75 -0.16 0.82 -1.40 0.00 0.00 179.01 178.71 1dkw h ILE 108 N 1.16 1.29 -0.94 3.13 2.04 -1.49 -0.54 117.51 122.15 1dkw h ILE 108 Ca 0.32 -1.27 0.04 0.00 1.00 0.00 0.00 64.86 64.95 1dkw h ILE 108 Cb -0.12 1.38 -0.06 0.00 -0.74 0.00 0.00 36.82 37.29 1dkw h ILE 108 CO -0.08 0.41 0.62 0.58 0.00 0.00 0.00 178.15 179.68 1dkw h VAL 109 N 0.49 1.15 -0.32 1.67 2.07 -1.16 -0.73 116.25 119.42 1dkw h VAL 109 Ca 0.08 -0.40 -0.11 0.00 0.82 0.00 0.00 66.70 67.09 1dkw h VAL 109 Cb 0.69 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1dkw h VAL 109 CO 0.05 0.21 -0.25 0.00 0.02 0.00 0.00 177.57 177.60 1dkw h ALA 110 N 1.46 0.96 -0.26 1.67 0.00 0.23 -1.56 119.26 121.75 1dkw h ALA 110 Ca 0.38 -0.37 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 1dkw h ALA 110 Cb 0.04 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1dkw h ALA 110 CO -0.12 0.61 -0.55 -0.44 0.00 0.00 0.00 179.25 178.75 1dkw h ASP 111 N 0.56 0.85 -0.89 0.00 5.19 -0.42 -2.11 116.42 119.60 1dkw h ASP 111 Ca 0.08 -0.46 -0.01 0.00 -0.62 0.00 0.00 57.03 56.02 1dkw h ASP 111 Cb 0.73 -0.24 -0.04 0.00 0.18 0.00 0.00 39.33 39.95 1dkw h ASP 111 CO 0.06 1.23 0.52 0.11 -3.12 0.00 0.00 179.24 178.03 1dkw h LYS 112 N 0.59 1.22 -0.03 3.56 1.57 -0.87 -1.82 116.57 120.79 1dkw h LYS 112 Ca 0.01 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1dkw h LYS 112 Cb 1.13 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 33.19 1dkw h LYS 112 CO 0.12 0.87 0.00 0.28 -0.57 0.00 0.00 179.45 180.15 1dkw h VAL 113 N 1.23 1.22 0.01 0.50 2.07 -1.08 0.21 116.25 120.42 1dkw h VAL 113 Ca 0.32 -0.67 0.03 0.00 0.82 0.00 0.00 66.70 67.20 1dkw h VAL 113 Cb -0.02 1.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 1dkw h VAL 113 CO -0.06 0.18 -0.23 0.00 0.02 0.00 0.00 177.57 177.49 1dkw h ALA 114 N 0.74 -0.30 -0.76 1.67 0.00 -1.36 0.27 119.26 119.52 1dkw h ALA 114 Ca 0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1dkw h ALA 114 Cb 0.29 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1dkw h ALA 114 CO 0.00 -0.73 0.35 0.00 0.00 0.00 0.00 179.25 178.87 1dkw h ALA 115 N 0.49 1.19 0.04 0.00 0.00 -1.13 0.58 119.26 120.43 1dkw h ALA 115 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1dkw h ALA 115 Cb 0.44 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1dkw h ALA 115 CO -0.20 0.61 -0.04 0.00 0.00 0.00 0.00 179.25 179.63 1dkw h ALA 116 N 1.30 -0.07 -0.34 0.00 0.00 -0.23 -2.64 119.26 117.28 1dkw h ALA 116 Ca 0.26 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.18 1dkw h ALA 116 Cb 0.13 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1dkw h ALA 116 CO -0.03 -0.55 0.19 0.28 0.00 0.00 0.00 179.25 179.14 1dkw h VAL 117 N -0.09 1.03 -0.79 0.00 2.07 0.51 -2.00 116.25 116.98 1dkw h VAL 117 Ca 0.00 -0.14 0.19 0.00 0.82 0.00 0.00 66.70 67.58 1dkw h VAL 117 Cb 0.09 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.41 1dkw h VAL 117 CO -0.01 0.07 0.54 0.00 0.02 0.00 0.00 177.57 178.19 1dkw h ALA 118 N 1.15 2.35 -0.60 1.67 0.00 0.29 -1.39 119.26 122.74 1dkw h ALA 118 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1dkw h ALA 118 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1dkw h ALA 118 CO -0.07 -0.58 0.00 0.43 0.00 0.00 0.00 179.25 179.03 1dkw n SER 119 N -4.43 3.90 0.00 0.00 7.64 -0.77 -4.94 113.62 115.01 1dkw n SER 119 Ca 0.16 -2.23 0.00 0.00 1.01 0.00 0.00 58.87 57.81 1dkw n SER 119 Cb 0.68 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 1dkw n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dkw n GLY 120 N 1.23 0.98 3.89 0.23 0.00 -0.52 -4.94 105.19 106.06 1dkw n GLY 120 Ca 0.22 -0.52 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 1dkw n GLY 120 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1dkw s PHE 121 N -2.00 3.45 0.14 1.61 0.40 -1.08 -4.95 117.98 115.55 1dkw s PHE 121 Ca 0.00 0.69 -0.24 0.00 -0.60 0.00 0.00 56.93 56.78 1dkw s PHE 121 Cb 0.00 -2.11 -0.08 0.00 0.51 0.00 0.00 43.02 41.34 1dkw s PHE 121 CO 0.00 0.34 0.73 -1.64 0.70 0.00 0.00 175.22 175.35 1dkw s MET 122 N -2.83 4.49 -0.12 0.44 -1.94 0.16 -4.57 119.30 114.93 1dkw s MET 122 Ca 0.44 1.06 0.01 0.00 -1.71 0.00 0.00 55.69 55.49 1dkw s MET 122 Cb -0.12 -3.26 0.02 0.00 2.01 0.00 0.00 34.83 33.48 1dkw s MET 122 CO 0.24 0.57 -0.15 0.08 -0.01 0.00 0.00 175.02 175.75 1dkw s VAL 123 N -1.08 1.49 -0.49 -6.03 1.01 0.18 -2.19 120.40 113.29 1dkw s VAL 123 Ca 0.34 -0.62 -0.13 0.00 0.00 0.00 0.00 61.98 61.57 1dkw s VAL 123 Cb -0.22 -1.37 0.11 0.00 0.00 0.00 0.00 36.38 34.90 1dkw s VAL 123 CO 0.25 0.44 0.41 -0.63 0.00 0.00 0.00 175.10 175.56 1dkw s ILE 124 N 1.11 4.80 -0.20 2.22 1.01 0.09 -0.19 121.20 130.03 1dkw s ILE 124 Ca -0.04 -1.50 -0.14 0.00 0.00 0.00 0.00 60.65 58.97 1dkw s ILE 124 Cb -0.14 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 1dkw s ILE 124 CO -0.03 -0.75 0.32 0.00 0.00 0.00 0.00 174.94 174.47 1dkw s ALA 125 N 1.52 3.58 -0.00 9.38 0.00 -0.60 -0.28 121.76 135.35 1dkw s ALA 125 Ca 0.04 -0.61 -0.10 0.00 0.00 0.00 0.00 51.96 51.29 1dkw s ALA 125 Cb -0.27 -2.51 -0.05 0.00 0.00 0.00 0.00 23.12 20.29 1dkw s ALA 125 CO 0.02 -0.20 0.32 0.00 0.00 0.00 0.00 175.76 175.90 1dkw s ILE 127 N -1.20 0.16 0.00 0.00 -4.36 -0.55 -4.65 121.20 110.60 1dkw s ILE 127 Ca 0.25 -1.45 0.00 0.00 -0.26 0.00 0.00 60.65 59.20 1dkw s ILE 127 Cb -0.14 -1.49 0.00 0.00 1.25 0.00 0.00 42.46 42.08 1dkw s ILE 127 CO 0.13 -0.72 0.00 0.61 0.24 0.00 0.00 174.94 175.21 1dkw n GLY 128 N -0.02 3.18 3.67 6.27 0.00 -1.26 0.84 105.19 117.88 1dkw n GLY 128 Ca -0.13 -1.02 -0.23 0.00 0.00 0.00 0.00 46.02 44.63 1dkw n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1dkw s GLU 129 N -2.14 2.30 0.54 1.61 -1.05 -1.25 -4.88 118.70 113.83 1dkw s GLU 129 Ca 0.00 -1.50 0.03 0.00 -0.15 0.00 0.00 54.97 53.35 1dkw s GLU 129 Cb 0.00 -2.14 0.04 0.00 -0.44 0.00 0.00 34.13 31.59 1dkw s GLU 129 CO 0.00 0.25 0.75 0.95 0.95 0.00 0.00 175.26 178.16 1dkw s THR 130 N -2.38 2.68 0.20 1.83 -4.23 -1.26 -1.86 115.64 110.62 1dkw s THR 130 Ca 0.34 -0.74 -0.11 0.00 -1.18 0.00 0.00 61.69 60.00 1dkw s THR 130 Cb -0.04 -2.94 0.13 0.00 1.34 0.00 0.00 72.50 70.99 1dkw s THR 130 CO 0.21 0.00 1.85 0.25 -0.54 0.00 0.00 174.62 176.39 1dkw h LEU 131 N 0.15 0.73 0.05 4.79 5.85 -1.82 0.15 115.31 125.21 1dkw h LEU 131 Ca -0.41 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.32 1dkw h LEU 131 Cb 1.29 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 1dkw h LEU 131 CO 0.49 0.52 -0.13 1.56 -0.34 0.00 0.00 178.44 180.55 1dkw h GLN 132 N 0.87 -0.23 -0.81 1.25 7.50 -1.96 0.30 115.11 122.03 1dkw h GLN 132 Ca 0.26 0.02 0.01 0.00 0.50 0.00 0.00 58.65 59.43 1dkw h GLN 132 Cb -0.04 0.05 -0.04 0.00 0.05 0.00 0.00 27.48 27.50 1dkw h GLN 132 CO -0.08 -0.15 0.53 0.93 -1.50 0.00 0.00 178.83 178.55 1dkw h GLU 133 N -0.24 1.07 -0.26 1.46 5.08 -1.88 -2.32 114.58 117.49 1dkw h GLU 133 Ca 0.03 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1dkw h GLU 133 Cb 0.27 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1dkw h GLU 133 CO -0.09 0.72 0.07 -0.09 -1.00 0.00 0.00 179.01 178.62 1dkw h ARG 134 N 1.10 0.41 0.00 2.33 2.43 -0.38 0.14 114.38 120.41 1dkw h ARG 134 Ca 0.29 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.34 1dkw h ARG 134 Cb -0.11 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.38 1dkw h ARG 134 CO -0.06 0.50 -0.13 0.93 -1.51 0.00 0.00 179.97 179.70 1dkw h GLU 135 N 0.25 0.00 -0.33 0.20 5.08 -0.25 -1.45 114.58 118.08 1dkw h GLU 135 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1dkw h GLU 135 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1dkw h GLU 135 CO -0.00 0.13 0.00 -1.13 -1.00 0.00 0.00 179.01 177.01 1dkw n SER 136 N -3.35 1.88 -3.27 1.42 3.41 -0.89 -4.93 113.62 107.89 1dkw n SER 136 Ca -0.00 -1.95 -0.19 0.00 -0.26 0.00 0.00 58.87 56.46 1dkw n SER 136 Cb 0.34 -0.22 0.08 0.00 -0.26 0.00 0.00 64.21 64.15 1dkw n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dkw n GLY 137 N 1.08 -0.36 0.73 5.00 0.00 -0.55 -4.94 105.19 106.16 1dkw n GLY 137 Ca 0.13 0.13 0.08 0.00 0.00 0.00 0.00 46.02 46.35 1dkw n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dkw n ARG 138 N -4.32 2.76 -0.09 1.61 1.74 0.49 -4.77 116.66 114.07 1dkw n ARG 138 Ca -0.09 -2.62 -0.12 0.00 -0.77 0.00 0.00 57.85 54.25 1dkw n ARG 138 Cb 0.59 -1.67 -0.07 0.00 -1.02 0.00 0.00 32.46 30.29 1dkw n ARG 138 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1dkw h THR 139 N 1.61 0.06 0.16 0.55 2.02 -1.84 -1.22 112.91 114.25 1dkw h THR 139 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1dkw h THR 139 Cb 1.23 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 1dkw h THR 139 CO 0.15 0.00 -0.16 0.00 0.37 0.00 0.00 175.52 175.88 1dkw h ALA 140 N 0.11 -0.32 -0.69 6.16 0.00 -1.96 0.20 119.26 122.77 1dkw h ALA 140 Ca 0.09 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1dkw h ALA 140 Cb 0.62 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1dkw h ALA 140 CO -0.53 -0.70 0.20 -0.24 0.00 0.00 0.00 179.25 177.98 1dkw h VAL 141 N -0.35 1.25 0.07 0.00 3.04 -1.89 0.49 116.25 118.86 1dkw h VAL 141 Ca 0.00 -0.89 -0.00 0.00 -1.01 0.00 0.00 66.70 64.80 1dkw h VAL 141 Cb 0.34 0.50 0.00 0.00 -2.01 0.00 0.00 31.29 30.12 1dkw h VAL 141 CO -0.05 0.35 -0.03 0.58 -1.01 0.00 0.00 177.57 177.41 1dkw h VAL 142 N 1.03 1.12 -0.53 1.51 2.07 -1.03 -0.25 116.25 120.17 1dkw h VAL 142 Ca 0.22 -0.66 -0.08 0.00 0.82 0.00 0.00 66.70 67.01 1dkw h VAL 142 Cb 0.31 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1dkw h VAL 142 CO -0.01 0.16 0.02 0.58 0.02 0.00 0.00 177.57 178.35 1dkw h VAL 143 N -0.39 1.26 0.00 2.57 2.07 -0.48 -1.04 116.25 120.25 1dkw h VAL 143 Ca -0.01 -1.07 -0.07 0.00 0.82 0.00 0.00 66.70 66.38 1dkw h VAL 143 Cb 0.34 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1dkw h VAL 143 CO 0.02 0.38 -0.31 -0.07 0.02 0.00 0.00 177.57 177.60 1dkw h LEU 144 N 0.79 0.00 -0.18 2.57 3.38 -0.03 -2.62 115.31 119.22 1dkw h LEU 144 Ca 0.15 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.90 1dkw h LEU 144 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1dkw h LEU 144 CO 0.02 0.31 -0.91 0.74 0.09 0.00 0.00 178.44 178.70 1dkw h THR 145 N 0.00 1.37 -0.71 0.22 2.02 -0.66 -0.93 112.91 114.22 1dkw h THR 145 Ca -0.00 -2.33 -0.03 0.00 0.77 0.00 0.00 66.41 64.82 1dkw h THR 145 Cb 1.00 2.32 -0.03 0.00 -1.74 0.00 0.00 68.15 69.70 1dkw h THR 145 CO 0.04 0.70 0.33 1.56 0.37 0.00 0.00 175.52 178.53 1dkw h GLN 146 N 0.29 1.01 0.15 6.66 4.20 -0.84 -2.07 115.11 124.50 1dkw h GLN 146 Ca -0.08 -0.14 -0.22 0.00 0.06 0.00 0.00 58.65 58.27 1dkw h GLN 146 Cb 1.54 -0.19 0.02 0.00 0.30 0.00 0.00 27.48 29.15 1dkw h GLN 146 CO 0.16 0.78 -1.01 0.97 -0.67 0.00 0.00 178.83 179.07 1dkw h ILE 147 N 1.00 1.39 -0.95 2.54 2.10 -1.48 -3.25 117.51 118.86 1dkw h ILE 147 Ca 0.24 -2.53 0.26 0.00 1.08 0.00 0.00 64.86 63.91 1dkw h ILE 147 Cb 0.11 3.09 -0.13 0.00 -1.09 0.00 0.00 36.82 38.80 1dkw h ILE 147 CO -0.03 0.72 0.47 0.00 -1.08 0.00 0.00 178.15 178.23 1dkw h ALA 148 N 0.06 1.64 -0.58 0.18 0.00 -1.14 0.25 119.26 119.67 1dkw h ALA 148 Ca -0.19 0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1dkw h ALA 148 Cb 1.72 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.60 1dkw h ALA 148 CO 0.15 -0.40 0.30 0.00 0.00 0.00 0.00 179.25 179.29 1dkw h ALA 149 N 1.76 0.76 -0.19 0.00 0.00 -1.44 -1.51 119.26 118.64 1dkw h ALA 149 Ca 0.63 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.48 1dkw h ALA 149 Cb 1.28 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1dkw h ALA 149 CO -0.56 -0.04 -0.19 0.82 0.00 0.00 0.00 179.25 179.29 1dkw h ILE 150 N 0.57 1.33 -0.85 0.00 2.04 -0.71 -3.25 117.51 116.65 1dkw h ILE 150 Ca 0.26 -1.35 0.07 0.00 1.00 0.00 0.00 64.86 64.84 1dkw h ILE 150 Cb 0.16 1.79 -0.05 0.00 -0.74 0.00 0.00 36.82 37.98 1dkw h ILE 150 CO -0.17 0.41 0.55 0.00 0.00 0.00 0.00 178.15 178.93 1dkw h ALA 151 N 0.64 1.58 0.00 1.87 0.00 -0.35 -2.41 119.26 120.59 1dkw h ALA 151 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1dkw h ALA 151 Cb 0.73 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1dkw h ALA 151 CO 0.05 0.29 0.00 1.17 0.00 0.00 0.00 179.25 180.75 1dkw n LYS 152 N -4.49 0.02 -0.00 0.00 4.81 -0.60 -1.33 118.16 116.57 1dkw n LYS 152 Ca 0.13 0.44 0.06 0.00 -0.87 0.00 0.00 58.31 58.07 1dkw n LYS 152 Cb 0.21 -1.54 -0.08 0.00 0.02 0.00 0.00 35.03 33.64 1dkw n LYS 152 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1dkw n LYS 153 N -1.58 2.06 -3.99 1.64 4.76 -0.91 -5.02 118.16 115.14 1dkw n LYS 153 Ca 0.01 -0.04 -0.25 0.00 -2.87 0.00 0.00 58.31 55.16 1dkw n LYS 153 Cb 0.05 -1.17 -0.03 0.00 -1.84 0.00 0.00 35.03 32.05 1dkw n LYS 153 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1dkw s LEU 154 N -3.00 4.20 0.20 -0.35 1.43 -0.44 -4.88 118.68 115.84 1dkw s LEU 154 Ca 0.02 0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.20 1dkw s LEU 154 Cb 0.09 -2.77 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 1dkw s LEU 154 CO 0.53 0.03 0.36 -0.54 0.23 0.00 0.00 176.35 176.96 1dkw s LYS 155 N -3.36 3.47 0.24 1.70 1.02 -1.26 -5.00 119.74 116.55 1dkw s LYS 155 Ca 0.34 -0.51 -0.06 0.00 0.02 0.00 0.00 55.97 55.76 1dkw s LYS 155 Cb -0.10 -2.88 0.44 0.00 -0.52 0.00 0.00 37.83 34.77 1dkw s LYS 155 CO 0.27 0.43 1.66 -0.22 -0.92 0.00 0.00 175.35 176.57 1dkw h LYS 156 N 1.80 0.17 -0.96 1.68 3.64 -1.97 0.17 116.57 121.09 1dkw h LYS 156 Ca -0.49 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 58.91 1dkw h LYS 156 Cb 1.20 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.93 1dkw h LYS 156 CO 0.66 0.11 0.63 0.00 -2.27 0.00 0.00 179.45 178.58 1dkw h ALA 157 N 1.65 1.37 -1.02 5.00 0.00 -2.02 -2.71 119.26 121.53 1dkw h ALA 157 Ca 0.41 -0.05 0.25 0.00 0.00 0.00 0.00 54.91 55.52 1dkw h ALA 157 Cb 0.71 -0.35 -0.11 0.00 0.00 0.00 0.00 17.79 18.05 1dkw h ALA 157 CO -0.58 0.55 0.64 -0.44 0.00 0.00 0.00 179.25 179.41 1dkw h ASP 158 N 1.23 0.56 -0.32 0.00 3.32 -1.05 -1.44 116.42 118.72 1dkw h ASP 158 Ca 0.37 0.10 0.09 0.00 0.02 0.00 0.00 57.03 57.62 1dkw h ASP 158 Cb -0.03 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1dkw h ASP 158 CO -0.11 0.11 0.59 -0.50 -1.72 0.00 0.00 179.24 177.61 1dkw h TRP 159 N 0.49 0.00 -0.03 4.55 4.06 -1.50 0.78 115.95 124.32 1dkw h TRP 159 Ca 0.61 0.00 0.01 0.00 2.06 0.00 0.00 58.89 61.57 1dkw h TRP 159 Cb 1.35 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.51 1dkw h TRP 159 CO -0.00 0.00 0.02 0.00 -3.56 0.00 0.00 178.44 174.90 1dkw h ALA 160 N 1.13 1.78 -0.61 1.49 0.00 -1.47 -2.21 119.26 119.36 1dkw h ALA 160 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1dkw h ALA 160 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1dkw h ALA 160 CO -0.00 -0.04 0.00 1.63 0.00 0.00 0.00 179.25 180.84 1dkw n LYS 161 N -4.16 3.32 -5.16 0.00 4.76 0.27 -4.97 118.16 112.22 1dkw n LYS 161 Ca -0.02 -2.57 -0.30 0.00 -2.87 0.00 0.00 58.31 52.55 1dkw n LYS 161 Cb 0.11 -1.78 -0.16 0.00 -1.84 0.00 0.00 35.03 31.36 1dkw n LYS 161 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1dkw s VAL 162 N -1.69 1.89 -0.00 -0.18 1.01 -0.83 -0.64 120.40 119.94 1dkw s VAL 162 Ca 0.46 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 61.51 1dkw s VAL 162 Cb 0.29 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 1dkw s VAL 162 CO 0.24 0.53 -0.15 -0.69 0.00 0.00 0.00 175.10 175.03 1dkw s VAL 163 N -0.18 1.15 -0.14 2.92 1.01 0.73 -4.62 120.40 121.26 1dkw s VAL 163 Ca -0.02 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.25 1dkw s VAL 163 Cb -0.12 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 1dkw s VAL 163 CO 0.03 0.28 -0.02 -0.63 0.00 0.00 0.00 175.10 174.76 1dkw s ILE 164 N -0.41 4.08 -0.21 2.22 -1.09 -0.98 -1.56 121.20 123.25 1dkw s ILE 164 Ca 0.05 -0.30 -0.03 0.00 -2.23 0.00 0.00 60.65 58.14 1dkw s ILE 164 Cb -0.06 -2.78 -0.01 0.00 -1.58 0.00 0.00 42.46 38.03 1dkw s ILE 164 CO -0.00 0.51 -0.05 0.00 -1.23 0.00 0.00 174.94 174.17 1dkw s ALA 165 N 0.12 2.81 -0.25 9.38 0.00 -0.93 0.20 121.76 133.09 1dkw s ALA 165 Ca 0.00 -1.12 -0.23 0.00 0.00 0.00 0.00 51.96 50.61 1dkw s ALA 165 Cb -0.13 -1.65 -0.01 0.00 0.00 0.00 0.00 23.12 21.33 1dkw s ALA 165 CO 0.02 -0.33 0.76 -0.47 0.00 0.00 0.00 175.76 175.75 1dkw s TYR 166 N 1.30 3.29 -0.32 0.00 5.04 0.11 -1.49 117.35 125.29 1dkw s TYR 166 Ca 0.04 1.00 -0.07 0.00 -2.44 0.00 0.00 57.07 55.60 1dkw s TYR 166 Cb -0.14 -3.00 0.02 0.00 0.35 0.00 0.00 41.96 39.19 1dkw s TYR 166 CO -0.02 -0.39 0.10 -2.00 -1.34 0.00 0.00 175.55 171.90 1dkw s GLU 167 N 2.75 2.92 -1.26 4.97 2.12 0.25 -0.96 118.70 129.49 1dkw s GLU 167 Ca 0.32 -0.98 -0.17 0.00 0.36 0.00 0.00 54.97 54.50 1dkw s GLU 167 Cb -0.15 -3.44 -0.01 0.00 0.26 0.00 0.00 34.13 30.78 1dkw s GLU 167 CO 0.08 -0.54 2.10 -0.35 -0.54 0.00 0.00 175.26 176.01 1dkw n PRO 168 N 4.87 2.49 -0.34 4.30 -0.04 -1.26 -3.75 135.00 141.26 1dkw n PRO 168 Ca -0.14 -2.45 0.18 0.00 -0.04 0.00 0.00 63.50 61.05 1dkw n PRO 168 Cb 0.47 -3.22 0.39 0.00 -0.04 0.00 0.00 33.50 31.10 1dkw n PRO 168 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1dkw h VAL 169 N 4.32 0.51 0.00 0.52 2.07 -1.86 0.50 116.25 122.30 1dkw h VAL 169 Ca 0.51 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.84 1dkw h VAL 169 Cb 0.68 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1dkw h VAL 169 CO 1.85 0.10 0.17 -2.67 0.02 0.00 0.00 177.57 177.04 1dkw n TRP 170 N -4.91 0.24 0.00 1.57 4.27 -0.78 -1.99 117.44 115.85 1dkw n TRP 170 Ca 0.27 0.13 0.02 0.00 -3.89 0.00 0.00 57.50 54.02 1dkw n TRP 170 Cb 0.77 -0.56 0.03 0.00 -1.36 0.00 0.00 31.31 30.19 1dkw n TRP 170 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1dkw n ALA 171 N -1.48 2.17 -3.88 -1.67 0.00 0.17 -4.57 120.51 111.26 1dkw n ALA 171 Ca -0.00 -0.90 -0.34 0.00 0.00 0.00 0.00 53.44 52.20 1dkw n ALA 171 Cb 0.18 -0.12 -0.13 0.00 0.00 0.00 0.00 19.45 19.38 1dkw n ALA 171 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1dkw s ILE 172 N -0.79 2.77 0.00 0.00 -4.36 -0.84 -4.62 121.20 113.35 1dkw s ILE 172 Ca 0.06 -2.08 0.00 0.00 -0.26 0.00 0.00 60.65 58.37 1dkw s ILE 172 Cb 0.03 -2.90 0.00 0.00 1.25 0.00 0.00 42.46 40.84 1dkw s ILE 172 CO 0.04 -0.55 0.00 0.61 0.24 0.00 0.00 174.94 175.28 1dkw n GLY 173 N 4.44 1.03 0.00 6.27 0.00 -1.26 -4.98 105.19 110.70 1dkw n GLY 173 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1dkw n GLY 173 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1dkw n THR 174 N -1.92 0.00 -0.45 2.61 -2.24 -1.26 -4.98 114.28 106.04 1dkw n THR 174 Ca 0.00 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1dkw n THR 174 Cb 0.00 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 1dkw n THR 174 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dkw n GLY 175 N 1.90 0.74 3.85 3.38 0.00 -1.26 -5.04 105.19 108.75 1dkw n GLY 175 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1dkw n GLY 175 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dkw s LYS 176 N -0.55 3.95 -0.10 1.61 0.00 -1.26 -5.09 119.74 118.30 1dkw s LYS 176 Ca 0.00 0.46 0.02 0.00 0.00 0.00 0.00 55.97 56.44 1dkw s LYS 176 Cb 0.00 -2.91 0.02 0.00 0.00 0.00 0.00 37.83 34.94 1dkw s LYS 176 CO 0.00 0.47 -0.14 0.08 0.00 0.00 0.00 175.35 175.76 1dkw s VAL 177 N -1.49 1.40 -0.06 1.79 1.01 -1.26 -4.75 120.40 117.04 1dkw s VAL 177 Ca 0.38 -0.59 -0.23 0.00 0.00 0.00 0.00 61.98 61.54 1dkw s VAL 177 Cb -0.15 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 1dkw s VAL 177 CO 0.19 0.42 0.70 0.00 0.00 0.00 0.00 175.10 176.41 1dkw s ALA 178 N 0.99 3.35 0.51 5.51 0.00 -1.26 -5.08 121.76 125.77 1dkw s ALA 178 Ca -0.07 0.13 -0.03 0.00 0.00 0.00 0.00 51.96 52.00 1dkw s ALA 178 Cb -0.15 -2.94 -0.00 0.00 0.00 0.00 0.00 23.12 20.03 1dkw s ALA 178 CO -0.01 -0.07 0.77 0.95 0.00 0.00 0.00 175.76 177.40 1dkw s THR 179 N 0.68 3.94 0.45 0.00 -4.23 -1.26 -4.97 115.64 110.24 1dkw s THR 179 Ca 0.37 -0.23 0.20 0.00 -1.18 0.00 0.00 61.69 60.85 1dkw s THR 179 Cb -0.18 -3.50 0.23 0.00 1.34 0.00 0.00 72.50 70.39 1dkw s THR 179 CO 0.18 -0.43 2.04 -0.65 -0.54 0.00 0.00 174.62 175.22 1dkw h PRO 180 N 0.15 0.00 -0.77 3.99 0.11 -1.98 -0.96 132.00 132.55 1dkw h PRO 180 Ca -0.46 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1dkw h PRO 180 Cb 1.25 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 1dkw h PRO 180 CO 0.59 0.15 0.36 1.96 -0.21 0.00 0.00 178.00 180.85 1dkw h GLN 181 N 0.00 1.11 -0.16 1.05 7.50 -1.96 0.81 115.11 123.46 1dkw h GLN 181 Ca -0.00 -0.17 -0.18 0.00 0.50 0.00 0.00 58.65 58.80 1dkw h GLN 181 Cb 0.30 -0.20 -0.00 0.00 0.05 0.00 0.00 27.48 27.63 1dkw h GLN 181 CO 0.02 0.87 -0.65 1.96 -1.50 0.00 0.00 178.83 179.53 1dkw h GLN 182 N 1.09 0.59 -0.64 1.46 4.20 -1.58 -1.87 115.11 118.37 1dkw h GLN 182 Ca 0.26 -0.43 -0.04 0.00 0.06 0.00 0.00 58.65 58.51 1dkw h GLN 182 Cb 0.13 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 1dkw h GLN 182 CO -0.03 1.04 0.25 0.00 -0.67 0.00 0.00 178.83 179.42 1dkw h ALA 183 N 0.85 0.83 -0.07 3.87 0.00 -1.00 0.09 119.26 123.82 1dkw h ALA 183 Ca -0.01 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1dkw h ALA 183 Cb 1.22 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1dkw h ALA 183 CO 0.12 0.44 -0.01 0.37 0.00 0.00 0.00 179.25 180.18 1dkw h GLN 184 N 0.89 0.01 -0.50 0.00 5.75 -0.80 0.16 115.11 120.62 1dkw h GLN 184 Ca 0.21 -0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.71 1dkw h GLN 184 Cb 0.21 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.73 1dkw h GLN 184 CO -0.02 0.01 0.31 1.49 -2.65 0.00 0.00 178.83 177.97 1dkw h GLU 185 N 0.01 0.67 -0.61 1.69 4.81 -1.17 -0.02 114.58 119.96 1dkw h GLU 185 Ca 0.03 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1dkw h GLU 185 Cb 0.04 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 1dkw h GLU 185 CO -0.06 0.48 0.38 0.00 -0.73 0.00 0.00 179.01 179.08 1dkw h ALA 186 N 1.15 0.78 -0.28 2.92 0.00 -0.77 -2.81 119.26 120.25 1dkw h ALA 186 Ca 0.18 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1dkw h ALA 186 Cb -0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1dkw h ALA 186 CO -0.03 0.24 -0.21 0.45 0.00 0.00 0.00 179.25 179.70 1dkw h HIS 187 N 0.83 0.58 -0.13 0.00 3.86 -0.51 -2.96 115.15 116.81 1dkw h HIS 187 Ca 0.22 -0.11 -0.13 0.00 -1.16 0.00 0.00 60.37 59.18 1dkw h HIS 187 Cb -0.04 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.27 1dkw h HIS 187 CO -0.02 0.70 -0.50 0.00 0.86 0.00 0.00 177.93 178.97 1dkw h ALA 188 N 1.31 0.91 -0.50 2.45 0.00 -0.76 -1.77 119.26 120.89 1dkw h ALA 188 Ca 0.07 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 1dkw h ALA 188 Cb 0.63 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1dkw h ALA 188 CO 0.04 0.66 0.18 1.25 0.00 0.00 0.00 179.25 181.39 1dkw h LEU 189 N 0.28 0.71 -0.95 0.00 5.85 -1.44 0.51 115.31 120.26 1dkw h LEU 189 Ca 0.01 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.55 1dkw h LEU 189 Cb 0.97 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.77 1dkw h LEU 189 CO 0.08 0.70 0.61 0.40 -0.34 0.00 0.00 178.44 179.90 1dkw h ILE 190 N 0.67 1.25 -0.01 4.05 2.04 -1.32 -2.13 117.51 122.07 1dkw h ILE 190 Ca 0.16 -0.48 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 1dkw h ILE 190 Cb 0.23 -0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.18 1dkw h ILE 190 CO -0.01 0.25 -0.01 -0.09 0.00 0.00 0.00 178.15 178.29 1dkw h ARG 191 N 1.29 0.02 -0.47 2.37 2.43 -0.62 -1.90 114.38 117.51 1dkw h ARG 191 Ca 0.35 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.59 1dkw h ARG 191 Cb -0.12 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 29.33 1dkw h ARG 191 CO -0.07 0.51 -0.33 0.77 -1.51 0.00 0.00 179.97 179.34 1dkw h SER 192 N -0.48 -1.12 -0.61 -3.80 0.02 -0.01 -1.66 113.55 105.89 1dkw h SER 192 Ca 0.00 0.20 0.01 0.00 -0.84 0.00 0.00 61.79 61.16 1dkw h SER 192 Cb 0.51 0.53 -0.03 0.00 0.14 0.00 0.00 62.40 63.55 1dkw h SER 192 CO 0.00 -0.31 0.40 -0.25 -1.14 0.00 0.00 176.83 175.53 1dkw h TRP 193 N -0.22 0.76 -0.31 3.45 7.01 -1.15 -1.02 115.95 124.47 1dkw h TRP 193 Ca 0.19 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.20 1dkw h TRP 193 Cb 0.54 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 27.33 1dkw h TRP 193 CO -0.58 0.48 0.15 0.28 -2.79 0.00 0.00 178.44 175.98 1dkw h VAL 194 N 0.82 1.15 -0.07 2.65 2.07 -0.95 -1.19 116.25 120.73 1dkw h VAL 194 Ca 0.23 -0.44 0.04 0.00 0.82 0.00 0.00 66.70 67.35 1dkw h VAL 194 Cb -0.08 0.87 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 1dkw h VAL 194 CO -0.06 0.16 -0.43 -1.28 0.02 0.00 0.00 177.57 175.98 1dkw h SER 195 N 0.37 -1.33 -0.56 0.57 0.87 -1.19 1.23 113.55 113.51 1dkw h SER 195 Ca 0.11 0.17 -0.09 0.00 -1.23 0.00 0.00 61.79 60.74 1dkw h SER 195 Cb 0.11 0.53 -0.02 0.00 -0.44 0.00 0.00 62.40 62.58 1dkw h SER 195 CO -0.01 -0.45 -0.02 0.28 -0.53 0.00 0.00 176.83 176.10 1dkw h SER 196 N -0.54 0.99 0.27 6.23 0.02 -1.16 -2.59 113.55 116.78 1dkw h SER 196 Ca 0.06 -0.31 -0.26 0.00 -0.84 0.00 0.00 61.79 60.44 1dkw h SER 196 Cb 0.64 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 62.87 1dkw h SER 196 CO -0.37 1.06 -1.96 0.29 -1.14 0.00 0.00 176.83 174.72 1dkw n LYS 197 N -4.22 0.66 -0.06 3.45 4.76 -0.46 -4.72 118.16 117.57 1dkw n LYS 197 Ca 0.02 0.09 -0.12 0.00 -2.87 0.00 0.00 58.31 55.43 1dkw n LYS 197 Cb 0.35 -1.65 -0.04 0.00 -1.84 0.00 0.00 35.03 31.85 1dkw n LYS 197 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1dkw n ILE 198 N -2.78 0.70 0.00 -0.18 2.08 0.42 -5.05 119.36 114.54 1dkw n ILE 198 Ca -0.20 -0.13 0.00 0.00 0.56 0.00 0.00 62.75 62.98 1dkw n ILE 198 Cb 0.98 -1.68 0.00 0.00 -0.75 0.00 0.00 39.64 38.19 1dkw n ILE 198 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1dkw n GLY 199 N 2.29 3.59 0.19 7.39 0.00 -0.65 -4.91 105.19 113.10 1dkw n GLY 199 Ca -0.22 -0.55 0.06 0.00 0.00 0.00 0.00 46.02 45.31 1dkw n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dkw h ALA 200 N 0.00 1.01 0.01 4.61 0.00 -1.86 -0.34 119.26 122.70 1dkw h ALA 200 Ca 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1dkw h ALA 200 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1dkw h ALA 200 CO 0.00 0.43 -0.01 0.38 0.00 0.00 0.00 179.25 180.06 1dkw h ASP 201 N 0.00 -0.01 -0.45 0.00 2.03 -1.93 -1.85 116.42 114.21 1dkw h ASP 201 Ca -0.00 -0.55 0.00 0.00 -0.73 0.00 0.00 57.03 55.75 1dkw h ASP 201 Cb 0.86 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.34 1dkw h ASP 201 CO 0.04 0.55 0.29 0.58 -1.03 0.00 0.00 179.24 179.67 1dkw h VAL 202 N -0.58 1.13 -0.11 4.15 2.07 -1.89 -2.90 116.25 118.11 1dkw h VAL 202 Ca -0.00 -0.26 0.05 0.00 0.82 0.00 0.00 66.70 67.30 1dkw h VAL 202 Cb 0.56 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 30.77 1dkw h VAL 202 CO 0.00 0.13 -0.28 0.00 0.02 0.00 0.00 177.57 177.43 1dkw h ALA 203 N 1.15 -0.31 0.00 1.67 0.00 -1.02 -2.67 119.26 118.08 1dkw h ALA 203 Ca 0.16 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1dkw h ALA 203 Cb -0.04 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1dkw h ALA 203 CO -0.03 -0.76 -0.15 0.78 0.00 0.00 0.00 179.25 179.09 1dkw h GLY 204 N -0.37 0.00 -0.47 0.00 0.00 -1.14 -2.44 103.07 98.66 1dkw h GLY 204 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1dkw h GLY 204 CO -0.32 0.00 -0.13 1.18 0.00 0.00 0.00 176.54 177.27 1dkw n GLU 205 N -3.73 1.43 -2.78 4.80 1.02 -1.03 -4.67 120.64 115.69 1dkw n GLU 205 Ca -0.02 -0.94 -0.42 0.00 -0.02 0.00 0.00 57.16 55.77 1dkw n GLU 205 Cb 0.26 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.17 1dkw n GLU 205 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1dkw s LEU 206 N -2.21 4.34 -0.17 -4.62 2.96 -0.92 -4.95 118.68 113.11 1dkw s LEU 206 Ca 0.30 1.53 -0.24 0.00 -0.22 0.00 0.00 54.13 55.51 1dkw s LEU 206 Cb 0.20 -3.46 -0.02 0.00 0.50 0.00 0.00 46.19 43.41 1dkw s LEU 206 CO 0.41 -0.26 0.77 -0.13 -1.32 0.00 0.00 176.35 175.82 1dkw s ARG 207 N 1.15 4.29 -0.35 1.98 3.00 -1.26 -4.94 118.95 122.83 1dkw s ARG 207 Ca 0.48 0.91 0.01 0.00 0.00 0.00 0.00 55.73 57.13 1dkw s ARG 207 Cb -0.20 -3.56 0.09 0.00 0.00 0.00 0.00 34.95 31.28 1dkw s ARG 207 CO 0.24 -0.28 0.07 0.42 0.00 0.00 0.00 175.30 175.76 1dkw s ILE 208 N 1.99 2.68 0.28 1.52 1.01 -1.26 -2.31 121.20 125.11 1dkw s ILE 208 Ca 0.36 -2.03 -0.19 0.00 0.00 0.00 0.00 60.65 58.79 1dkw s ILE 208 Cb -0.16 -2.82 -0.09 0.00 0.01 0.00 0.00 42.46 39.40 1dkw s ILE 208 CO 0.12 -0.49 0.77 -0.76 0.00 0.00 0.00 174.94 174.59 1dkw s LEU 209 N 1.05 4.23 -0.25 2.97 1.43 0.54 -2.36 118.68 126.29 1dkw s LEU 209 Ca 0.05 1.44 -0.20 0.00 -1.03 0.00 0.00 54.13 54.40 1dkw s LEU 209 Cb -0.20 -3.85 -0.02 0.00 0.03 0.00 0.00 46.19 42.14 1dkw s LEU 209 CO -0.05 -0.08 0.61 -0.47 0.23 0.00 0.00 176.35 176.58 1dkw s TYR 210 N -1.72 3.28 -0.31 0.29 5.04 -0.80 0.05 117.35 123.18 1dkw s TYR 210 Ca 0.49 0.79 0.08 0.00 -2.44 0.00 0.00 57.07 55.99 1dkw s TYR 210 Cb -0.14 -2.81 0.54 0.00 0.35 0.00 0.00 41.96 39.89 1dkw s TYR 210 CO 0.20 -0.31 1.54 0.41 -1.34 0.00 0.00 175.55 176.04 1dkw n GLY 211 N 4.18 4.80 0.00 8.97 0.00 -0.13 -1.43 105.19 121.57 1dkw n GLY 211 Ca -0.01 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.81 1dkw n GLY 211 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dkw n GLY 212 N -1.09 0.86 3.62 -0.02 0.00 -1.26 -4.55 105.19 102.75 1dkw n GLY 212 Ca 0.37 -1.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 1dkw n GLY 212 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1dkw s SER 213 N -1.00 6.67 -0.03 1.61 0.15 -1.26 -4.90 113.70 114.95 1dkw s SER 213 Ca 0.00 0.93 0.02 0.00 0.70 0.00 0.00 55.95 57.59 1dkw s SER 213 Cb 0.00 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.78 1dkw s SER 213 CO 0.00 -1.13 -0.06 -0.69 1.20 0.00 0.00 173.24 172.56 1dkw s VAL 214 N 4.39 0.56 0.00 4.45 1.01 -1.26 -5.05 120.40 124.51 1dkw s VAL 214 Ca 0.52 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1dkw s VAL 214 Cb -0.13 -0.54 0.00 0.00 0.00 0.00 0.00 36.38 35.72 1dkw s VAL 214 CO 0.25 0.20 0.00 -0.46 0.00 0.00 0.00 175.10 175.09 1dkw n ASN 215 N 3.57 0.48 0.14 3.32 0.23 -1.26 -5.01 115.26 116.73 1dkw n ASN 215 Ca -0.21 -0.66 0.01 0.00 -0.53 0.00 0.00 54.58 53.20 1dkw n ASN 215 Cb 0.53 0.00 0.16 0.00 -2.08 0.00 0.00 39.78 38.39 1dkw n ASN 215 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1dkw h GLY 216 N 0.00 0.00 1.93 4.83 0.00 -1.91 -1.70 103.07 106.22 1dkw h GLY 216 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1dkw h GLY 216 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 1dkw n LYS 217 N -3.51 0.06 0.00 4.80 5.02 -1.26 -4.11 118.16 119.16 1dkw n LYS 217 Ca -0.00 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1dkw n LYS 217 Cb 0.65 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 1dkw n LYS 217 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1dkw n ASN 218 N -1.46 0.04 -0.22 4.39 6.94 -1.16 -4.88 115.26 118.91 1dkw n ASN 218 Ca 0.07 -0.48 -0.08 0.00 -0.02 0.00 0.00 54.58 54.06 1dkw n ASN 218 Cb 0.27 0.04 0.03 0.00 -2.36 0.00 0.00 39.78 37.76 1dkw n ASN 218 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1dkw h ALA 219 N 0.00 0.82 0.24 -2.53 0.00 -1.46 -1.61 119.26 114.72 1dkw h ALA 219 Ca 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1dkw h ALA 219 Cb 0.21 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1dkw h ALA 219 CO 0.00 0.58 -0.23 -0.09 0.00 0.00 0.00 179.25 179.51 1dkw h ARG 220 N 0.94 -0.46 -1.05 0.00 9.65 -1.82 0.34 114.38 121.98 1dkw h ARG 220 Ca 0.19 0.03 0.29 0.00 -1.10 0.00 0.00 59.98 59.39 1dkw h ARG 220 Cb 0.43 0.10 -0.12 0.00 -1.39 0.00 0.00 29.97 28.99 1dkw h ARG 220 CO 0.01 -0.30 0.64 1.15 2.80 0.00 0.00 179.97 184.27 1dkw h THR 221 N -0.47 0.42 -0.22 0.20 2.02 -1.88 -1.25 112.91 111.73 1dkw h THR 221 Ca -0.03 -0.14 -0.21 0.00 0.77 0.00 0.00 66.41 66.81 1dkw h THR 221 Cb 0.41 -0.01 0.01 0.00 -1.74 0.00 0.00 68.15 66.81 1dkw h THR 221 CO -0.03 0.07 -0.67 -0.07 0.37 0.00 0.00 175.52 175.20 1dkw h LEU 222 N 0.40 0.97 -1.45 2.58 3.38 -0.75 -3.17 115.31 117.27 1dkw h LEU 222 Ca 0.67 -0.58 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1dkw h LEU 222 Cb 1.58 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 1dkw h LEU 222 CO -0.45 1.38 -0.07 0.22 0.09 0.00 0.00 178.44 179.61 1dkw h TYR 223 N 0.60 0.00 -0.00 1.13 3.20 0.63 -3.07 116.97 119.46 1dkw h TYR 223 Ca -0.02 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1dkw h TYR 223 Cb 1.29 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.56 1dkw h TYR 223 CO 0.08 0.07 -0.13 1.04 -1.64 0.00 0.00 178.16 177.58 1dkw n GLN 224 N -3.21 0.29 -2.28 1.82 6.02 -0.57 -4.76 117.38 114.70 1dkw n GLN 224 Ca 0.00 -0.08 -0.42 0.00 -0.01 0.00 0.00 57.00 56.49 1dkw n GLN 224 Cb 0.33 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.06 1dkw n GLN 224 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1dkw s GLN 225 N -2.76 4.34 0.27 -1.09 -1.52 -1.16 -4.91 119.66 112.83 1dkw s GLN 225 Ca 0.21 1.92 0.16 0.00 -1.95 0.00 0.00 55.36 55.69 1dkw s GLN 225 Cb 0.19 -3.43 1.00 0.00 -0.22 0.00 0.00 33.01 30.55 1dkw s GLN 225 CO 0.53 -0.45 1.17 -2.13 -0.25 0.00 0.00 175.29 174.16 1dkw n ARG 226 N 4.63 -0.04 -0.17 2.91 0.63 -1.26 -1.92 116.66 121.43 1dkw n ARG 226 Ca 0.11 1.02 0.10 0.00 -0.92 0.00 0.00 57.85 58.16 1dkw n ARG 226 Cb 0.44 -1.84 0.18 0.00 0.45 0.00 0.00 32.46 31.70 1dkw n ARG 226 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1dkw n ASP 227 N -4.66 3.14 -4.67 6.15 9.92 -1.26 -4.94 116.55 120.22 1dkw n ASP 227 Ca 0.28 -1.91 -0.39 0.00 -0.53 0.00 0.00 54.79 52.25 1dkw n ASP 227 Cb 0.96 -0.22 -0.07 0.00 -0.64 0.00 0.00 41.12 41.15 1dkw n ASP 227 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1dkw s VAL 228 N -1.26 5.13 -0.21 2.53 1.01 -0.81 -4.57 120.40 122.22 1dkw s VAL 228 Ca 0.32 0.93 0.12 0.00 0.00 0.00 0.00 61.98 63.35 1dkw s VAL 228 Cb 0.19 -3.82 0.43 0.00 0.00 0.00 0.00 36.38 33.17 1dkw s VAL 228 CO 0.26 0.21 1.21 0.59 0.00 0.00 0.00 175.10 177.37 1dkw n ASN 229 N 4.53 2.25 0.00 3.32 5.03 -1.00 -4.82 115.26 124.59 1dkw n ASN 229 Ca -0.06 -3.65 0.00 0.00 0.87 0.00 0.00 54.58 51.75 1dkw n ASN 229 Cb 0.51 -0.47 0.00 0.00 -1.02 0.00 0.00 39.78 38.80 1dkw n ASN 229 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1dkw n GLY 230 N -0.87 0.49 2.98 7.41 0.00 -1.26 -2.17 105.19 111.77 1dkw n GLY 230 Ca 0.22 -2.20 -0.12 0.00 0.00 0.00 0.00 46.02 43.92 1dkw n GLY 230 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1dkw s PHE 231 N -0.58 -0.03 -0.32 1.61 0.08 -0.62 -1.91 117.98 116.21 1dkw s PHE 231 Ca 0.00 0.09 -0.00 0.00 0.12 0.00 0.00 56.93 57.14 1dkw s PHE 231 Cb 0.00 -0.01 0.07 0.00 -0.57 0.00 0.00 43.02 42.52 1dkw s PHE 231 CO 0.00 -0.09 0.04 -1.17 -0.10 0.00 0.00 175.22 173.89 1dkw s LEU 232 N -0.31 4.28 0.00 -0.37 2.96 -0.52 -0.07 118.68 124.65 1dkw s LEU 232 Ca -0.04 -1.62 0.03 0.00 -0.22 0.00 0.00 54.13 52.28 1dkw s LEU 232 Cb -0.03 -1.70 -0.01 0.00 0.50 0.00 0.00 46.19 44.96 1dkw s LEU 232 CO 0.00 -0.33 0.11 1.33 -1.32 0.00 0.00 176.35 176.14 1dkw n VAL 233 N 4.52 0.00 -3.21 1.68 0.24 0.08 -3.97 118.33 117.67 1dkw n VAL 233 Ca -0.08 -1.71 -0.37 0.00 -2.04 0.00 0.00 64.34 60.14 1dkw n VAL 233 Cb 0.42 0.63 -0.06 0.00 -1.47 0.00 0.00 33.84 33.36 1dkw n VAL 233 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1dkw s GLY 234 N -2.79 2.61 -0.38 7.63 0.00 -1.26 0.15 107.32 113.28 1dkw s GLY 234 Ca 0.16 0.06 -0.27 0.00 0.00 0.00 0.00 44.72 44.66 1dkw s GLY 234 CO 0.11 0.42 2.21 -2.27 0.00 0.00 0.00 173.10 173.57 1dkw s LEU 238 N -1.66 3.42 0.20 0.66 2.96 0.95 -4.66 118.68 120.55 1dkw s LEU 238 Ca 0.37 1.34 -0.03 0.00 -0.22 0.00 0.00 54.13 55.58 1dkw s LEU 238 Cb -0.17 -3.01 -0.03 0.00 0.50 0.00 0.00 46.19 43.47 1dkw s LEU 238 CO 0.20 -2.34 0.19 -0.54 -1.32 0.00 0.00 176.35 172.54 1dkw s LYS 239 N 7.11 1.25 0.51 1.98 1.02 -1.26 -4.94 119.74 125.40 1dkw s LYS 239 Ca 0.94 -1.54 0.16 0.00 0.02 0.00 0.00 55.97 55.55 1dkw s LYS 239 Cb -0.23 0.31 1.24 0.00 -0.52 0.00 0.00 37.83 38.63 1dkw s LYS 239 CO 0.30 -0.43 2.12 -1.35 -0.92 0.00 0.00 175.35 175.07 1dkw h PRO 240 N 2.56 0.00 0.00 -1.68 0.11 -1.98 -0.19 132.00 130.82 1dkw h PRO 240 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1dkw h PRO 240 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1dkw h PRO 240 CO 0.50 0.04 0.00 0.39 -0.21 0.00 0.00 178.00 178.72 1dkw n GLU 241 N -4.46 0.18 -0.31 1.05 4.71 -1.26 -3.05 120.64 117.50 1dkw n GLU 241 Ca -0.03 0.45 0.16 0.00 -0.01 0.00 0.00 57.16 57.74 1dkw n GLU 241 Cb 0.12 -1.88 0.41 0.00 -1.01 0.00 0.00 31.44 29.09 1dkw n GLU 241 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 1dkw h PHE 242 N 0.00 0.84 -0.64 -0.32 3.57 -1.34 0.11 116.94 119.15 1dkw h PHE 242 Ca 0.00 0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.66 1dkw h PHE 242 Cb 0.31 -0.25 -0.10 0.00 2.79 0.00 0.00 35.95 38.69 1dkw h PHE 242 CO 0.00 0.19 0.07 0.28 -2.23 0.00 0.00 178.31 176.62 1dkw h VAL 243 N 0.60 0.53 -0.01 1.41 2.07 -1.76 0.19 116.25 119.27 1dkw h VAL 243 Ca 0.54 -0.06 -0.13 0.00 0.82 0.00 0.00 66.70 67.87 1dkw h VAL 243 Cb 1.07 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1dkw h VAL 243 CO -0.30 0.03 -0.60 0.44 0.02 0.00 0.00 177.57 177.17 1dkw h ASP 244 N 0.18 0.03 -0.79 0.57 3.32 -1.03 -2.37 116.42 116.33 1dkw h ASP 244 Ca 0.34 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.34 1dkw h ASP 244 Cb 0.56 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.07 1dkw h ASP 244 CO -0.50 0.62 0.34 0.40 -1.72 0.00 0.00 179.24 178.38 1dkw h ILE 245 N 0.02 1.26 -0.04 0.35 2.04 -0.54 -2.10 117.51 118.49 1dkw h ILE 245 Ca -0.01 -0.79 -0.00 0.00 1.00 0.00 0.00 64.86 65.07 1dkw h ILE 245 Cb 1.06 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1dkw h ILE 245 CO 0.08 0.33 0.02 0.40 0.00 0.00 0.00 178.15 178.97 1dkw h ILE 246 N 1.15 1.12 -0.03 -0.67 2.04 -0.79 -2.09 117.51 118.25 1dkw h ILE 246 Ca 0.27 -0.36 0.01 0.00 1.00 0.00 0.00 64.86 65.78 1dkw h ILE 246 Cb 0.18 1.30 -0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1dkw h ILE 246 CO -0.03 0.10 0.06 0.11 0.00 0.00 0.00 178.15 178.39 1dkw h LYS 247 N -0.09 0.00 -0.00 2.37 1.57 -1.24 -0.18 116.57 119.00 1dkw h LYS 247 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1dkw h LYS 247 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1dkw h LYS 247 CO -0.00 0.00 -0.01 0.00 -0.57 0.00 0.00 179.45 178.87 1dkw n ALA 248 N -2.22 2.54 1.69 3.86 0.00 -0.78 -3.60 120.51 121.99 1dkw n ALA 248 Ca -0.02 -0.16 0.01 0.00 0.00 0.00 0.00 53.44 53.27 1dkw n ALA 248 Cb 0.14 -1.49 0.04 0.00 0.00 0.00 0.00 19.45 18.14 1dkw n ALA 248 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1dkw n THR 249 N -1.21 0.12 1.22 0.00 -2.24 -0.08 -4.60 114.28 107.49 1dkw n THR 249 Ca 0.16 -0.11 0.13 0.00 -2.27 0.00 0.00 64.05 61.96 1dkw n THR 249 Cb 0.22 0.03 0.29 0.00 -2.10 0.00 0.00 70.33 68.76 1dkw n THR 249 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50