#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nzi n MET 4 N 0.00 1.12 -3.61 -0.78 2.00 -1.26 -4.19 117.12 110.39 1nzi n MET 4 Ca 0.00 -0.64 -0.04 0.00 0.00 0.00 0.00 57.70 57.02 1nzi n MET 4 Cb 0.00 -1.41 -0.02 0.00 0.00 0.00 0.00 33.22 31.79 1nzi n MET 4 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 175.97 177.49 1nzi s TYR 5 N -2.47 -0.18 0.09 2.03 1.13 -1.26 -0.84 117.35 115.85 1nzi s TYR 5 Ca 0.14 0.02 -0.26 0.00 -1.41 0.00 0.00 57.07 55.56 1nzi s TYR 5 Cb 0.16 0.56 0.09 0.00 -1.10 0.00 0.00 41.96 41.67 1nzi s TYR 5 CO 0.61 -0.51 1.13 0.20 -2.51 0.00 0.00 175.55 174.47 1nzi s GLY 6 N -2.65 -0.15 0.03 5.49 0.00 -0.50 -4.97 107.32 104.57 1nzi s GLY 6 Ca 0.10 0.11 0.06 0.00 0.00 0.00 0.00 44.72 44.98 1nzi s GLY 6 CO -0.04 1.81 -0.16 1.85 0.00 0.00 0.00 173.10 176.56 1nzi s GLU 7 N -2.47 1.15 -0.12 2.90 2.12 -1.26 -1.48 118.70 119.54 1nzi s GLU 7 Ca 0.19 -0.76 -0.02 0.00 0.36 0.00 0.00 54.97 54.74 1nzi s GLU 7 Cb 0.00 -1.18 0.04 0.00 0.26 0.00 0.00 34.13 33.25 1nzi s GLU 7 CO 0.01 0.30 0.01 0.42 -0.54 0.00 0.00 175.26 175.47 1nzi s ILE 8 N -0.71 0.44 -0.04 -3.70 1.01 0.08 -5.00 121.20 113.29 1nzi s ILE 8 Ca 0.04 -0.12 0.07 0.00 0.00 0.00 0.00 60.65 60.64 1nzi s ILE 8 Cb -0.08 -0.72 -0.02 0.00 0.01 0.00 0.00 42.46 41.66 1nzi s ILE 8 CO 0.01 0.10 -0.25 -0.76 0.00 0.00 0.00 174.94 174.03 1nzi s LEU 9 N 1.93 2.07 0.73 2.97 1.43 -1.26 -0.90 118.68 125.65 1nzi s LEU 9 Ca 0.03 -0.48 -0.15 0.00 -1.03 0.00 0.00 54.13 52.50 1nzi s LEU 9 Cb -0.14 -1.36 0.04 0.00 0.03 0.00 0.00 46.19 44.76 1nzi s LEU 9 CO -0.06 0.29 1.19 -0.94 0.23 0.00 0.00 176.35 177.05 1nzi s SER 10 N -0.44 4.29 0.24 2.29 1.04 -0.76 -4.89 113.70 115.47 1nzi s SER 10 Ca 0.05 2.28 -0.31 0.00 0.48 0.00 0.00 55.95 58.44 1nzi s SER 10 Cb -0.11 -2.58 -0.12 0.00 0.10 0.00 0.00 66.02 63.30 1nzi s SER 10 CO 0.01 -2.19 1.61 -0.81 0.98 0.00 0.00 173.24 172.84 1nzi n PRO 11 N -2.76 2.58 -0.07 4.02 -0.04 -1.26 -1.42 135.00 136.05 1nzi n PRO 11 Ca 0.13 0.92 0.00 0.00 -0.04 0.00 0.00 63.50 64.51 1nzi n PRO 11 Cb 0.51 -2.71 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 1nzi n PRO 11 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1nzi n ASN 12 N 2.88 0.00 -4.55 3.54 5.15 -1.26 -4.18 115.26 116.84 1nzi n ASN 12 Ca 0.12 0.00 -0.44 0.00 -0.60 0.00 0.00 54.58 53.66 1nzi n ASN 12 Cb 0.35 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.59 1nzi n ASN 12 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1nzi n TYR 13 N -2.00 0.77 0.96 1.20 9.36 -0.51 -0.02 117.16 126.92 1nzi n TYR 13 Ca 0.00 0.69 0.02 0.00 3.32 0.00 0.00 57.90 61.93 1nzi n TYR 13 Cb 0.00 -2.17 0.08 0.00 -0.63 0.00 0.00 39.34 36.62 1nzi n TYR 13 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1nzi n PRO 14 N 0.62 1.67 -2.77 2.98 -0.04 -1.26 -4.98 135.00 131.21 1nzi n PRO 14 Ca 0.11 -0.67 -0.21 0.00 -0.04 0.00 0.00 63.50 62.69 1nzi n PRO 14 Cb 0.34 -1.44 0.05 0.00 -0.04 0.00 0.00 33.50 32.41 1nzi n PRO 14 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1nzi s GLN 15 N -1.56 2.34 0.24 0.54 -1.52 0.97 -4.87 119.66 115.80 1nzi s GLN 15 Ca 0.12 -1.12 -0.31 0.00 -1.95 0.00 0.00 55.36 52.10 1nzi s GLN 15 Cb 0.08 -2.53 -0.14 0.00 -0.22 0.00 0.00 33.01 30.20 1nzi s GLN 15 CO 0.05 -0.83 1.38 0.00 -0.25 0.00 0.00 175.29 175.64 1nzi n ALA 16 N -2.35 0.96 -1.65 6.09 0.00 -1.26 -4.60 120.51 117.70 1nzi n ALA 16 Ca 0.11 0.41 -0.33 0.00 0.00 0.00 0.00 53.44 53.64 1nzi n ALA 16 Cb 0.60 -2.25 0.02 0.00 0.00 0.00 0.00 19.45 17.81 1nzi n ALA 16 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1nzi s TYR 17 N -0.11 2.91 0.76 0.00 -0.85 -0.76 -4.76 117.35 114.53 1nzi s TYR 17 Ca 0.68 1.52 -0.14 0.00 -0.52 0.00 0.00 57.07 58.62 1nzi s TYR 17 Cb -0.66 -3.05 0.05 0.00 0.38 0.00 0.00 41.96 38.68 1nzi s TYR 17 CO 0.50 -1.23 1.16 -2.14 -1.52 0.00 0.00 175.55 172.33 1nzi s PRO 18 N -4.02 2.05 0.37 -3.49 0.02 -1.26 -4.82 135.00 123.86 1nzi s PRO 18 Ca 0.65 1.59 -0.12 0.00 0.02 0.00 0.00 61.00 63.13 1nzi s PRO 18 Cb -0.17 -1.84 -0.07 0.00 0.02 0.00 0.00 34.50 32.43 1nzi s PRO 18 CO 0.37 -1.86 0.75 -1.12 -0.33 0.00 0.00 177.00 174.81 1nzi s SER 19 N -2.41 6.61 -1.10 2.53 0.01 -1.26 -4.48 113.70 113.60 1nzi s SER 19 Ca 0.70 1.18 -0.21 0.00 1.31 0.00 0.00 55.95 58.93 1nzi s SER 19 Cb -0.25 -2.34 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1nzi s SER 19 CO 0.48 -0.32 0.75 -0.62 0.41 0.00 0.00 173.24 173.94 1nzi n GLU 20 N -0.94 -1.05 -4.07 12.44 1.02 -1.06 -4.95 120.64 122.03 1nzi n GLU 20 Ca 0.03 0.47 -0.07 0.00 -0.02 0.00 0.00 57.16 57.56 1nzi n GLU 20 Cb 0.54 -3.71 -0.10 0.00 -0.02 0.00 0.00 31.44 28.15 1nzi n GLU 20 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1nzi s VAL 21 N -3.40 0.21 -0.03 2.62 -7.23 -0.64 -4.98 120.40 106.94 1nzi s VAL 21 Ca 0.41 -1.69 -0.01 0.00 -1.81 0.00 0.00 61.98 58.88 1nzi s VAL 21 Cb -0.17 -1.38 0.03 0.00 0.56 0.00 0.00 36.38 35.43 1nzi s VAL 21 CO 0.88 -0.93 0.06 -0.70 -0.31 0.00 0.00 175.10 174.10 1nzi s GLU 22 N -3.65 -0.00 0.01 4.82 2.12 -1.26 -0.91 118.70 119.83 1nzi s GLU 22 Ca 0.04 0.23 0.03 0.00 0.36 0.00 0.00 54.97 55.63 1nzi s GLU 22 Cb 0.06 -0.22 -0.01 0.00 0.26 0.00 0.00 34.13 34.22 1nzi s GLU 22 CO -0.09 -0.16 -0.08 0.21 -0.54 0.00 0.00 175.26 174.59 1nzi s LYS 23 N 1.07 0.62 0.03 4.30 2.47 0.03 -4.99 119.74 123.26 1nzi s LYS 23 Ca -0.09 -0.39 0.05 0.00 -1.56 0.00 0.00 55.97 53.99 1nzi s LYS 23 Cb -0.12 -0.57 -0.02 0.00 -1.46 0.00 0.00 37.83 35.66 1nzi s LYS 23 CO -0.04 0.15 -0.16 0.45 0.16 0.00 0.00 175.35 175.91 1nzi s SER 24 N -0.48 1.90 -0.04 1.43 0.15 -1.26 -0.18 113.70 115.21 1nzi s SER 24 Ca 0.01 -0.42 0.02 0.00 0.70 0.00 0.00 55.95 56.26 1nzi s SER 24 Cb -0.04 -0.16 0.01 0.00 -1.71 0.00 0.00 66.02 64.12 1nzi s SER 24 CO -0.00 0.11 -0.10 0.26 1.20 0.00 0.00 173.24 174.71 1nzi s TRP 25 N -0.69 1.16 -0.12 3.44 0.51 0.01 -4.99 118.94 118.25 1nzi s TRP 25 Ca 0.04 -0.35 -0.04 0.00 -2.12 0.00 0.00 56.10 53.64 1nzi s TRP 25 Cb -0.07 -0.85 -0.03 0.00 -0.81 0.00 0.00 33.47 31.70 1nzi s TRP 25 CO 0.01 -0.18 0.01 -0.51 -0.51 0.00 0.00 176.95 175.77 1nzi s ASP 26 N 0.44 5.27 -0.07 2.95 1.01 -1.26 -1.11 116.67 123.90 1nzi s ASP 26 Ca -0.08 0.09 0.03 0.00 0.71 0.00 0.00 52.55 53.29 1nzi s ASP 26 Cb -0.12 -1.67 -0.02 0.00 1.01 0.00 0.00 42.92 42.12 1nzi s ASP 26 CO 0.02 0.29 -0.14 -0.63 0.21 0.00 0.00 175.17 174.92 1nzi s ILE 27 N -0.36 3.05 -0.11 0.77 1.01 0.60 -5.01 121.20 121.15 1nzi s ILE 27 Ca 0.07 -0.71 -0.06 0.00 0.00 0.00 0.00 60.65 59.95 1nzi s ILE 27 Cb -0.12 -2.22 0.04 0.00 0.01 0.00 0.00 42.46 40.18 1nzi s ILE 27 CO 0.02 0.57 0.26 -0.70 0.00 0.00 0.00 174.94 175.10 1nzi s GLU 28 N -0.41 0.24 0.41 2.79 2.12 -1.26 -1.65 118.70 120.94 1nzi s GLU 28 Ca 0.05 0.53 0.07 0.00 0.36 0.00 0.00 54.97 55.98 1nzi s GLU 28 Cb -0.12 -0.08 -0.07 0.00 0.26 0.00 0.00 34.13 34.12 1nzi s GLU 28 CO 0.02 -0.15 0.07 0.14 -0.54 0.00 0.00 175.26 174.80 1nzi s VAL 29 N 1.13 2.11 0.87 3.70 -7.23 -0.15 -1.49 120.40 119.35 1nzi s VAL 29 Ca -0.08 -1.90 -0.10 0.00 -1.81 0.00 0.00 61.98 58.08 1nzi s VAL 29 Cb -0.09 -2.99 0.12 0.00 0.56 0.00 0.00 36.38 33.97 1nzi s VAL 29 CO -0.08 -0.01 1.11 -2.84 -0.31 0.00 0.00 175.10 172.98 1nzi s PRO 30 N -3.77 1.44 0.46 4.82 0.02 -1.26 -4.80 135.00 131.90 1nzi s PRO 30 Ca 0.37 1.31 -0.24 0.00 0.02 0.00 0.00 61.00 62.46 1nzi s PRO 30 Cb 0.08 -1.79 -0.07 0.00 0.02 0.00 0.00 34.50 32.73 1nzi s PRO 30 CO 0.20 -2.26 1.31 -1.21 -0.33 0.00 0.00 177.00 174.71 1nzi s GLU 31 N -4.76 3.66 0.00 5.54 0.41 -1.26 -2.53 118.70 119.76 1nzi s GLU 31 Ca 0.64 2.15 0.00 0.00 -0.41 0.00 0.00 54.97 57.36 1nzi s GLU 31 Cb -0.20 -2.54 0.00 0.00 -1.78 0.00 0.00 34.13 29.60 1nzi s GLU 31 CO 0.57 -0.74 0.00 0.41 -0.49 0.00 0.00 175.26 175.01 1nzi n GLY 32 N 0.63 0.43 3.20 -1.39 0.00 -1.26 -4.90 105.19 101.89 1nzi n GLY 32 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 1nzi n GLY 32 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nzi s TYR 33 N -2.04 1.19 0.03 1.61 1.51 -1.05 -1.90 117.35 116.71 1nzi s TYR 33 Ca 0.00 -0.61 0.00 0.00 -1.01 0.00 0.00 57.07 55.45 1nzi s TYR 33 Cb 0.00 -0.64 0.00 0.00 -0.11 0.00 0.00 41.96 41.21 1nzi s TYR 33 CO 0.00 0.06 0.03 0.41 -1.11 0.00 0.00 175.55 174.93 1nzi n GLY 34 N 0.56 2.71 2.92 0.71 0.00 0.20 -3.73 105.19 108.55 1nzi n GLY 34 Ca -0.16 -2.16 -0.20 0.00 0.00 0.00 0.00 46.02 43.50 1nzi n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nzi s ILE 35 N 0.16 0.62 -0.36 -0.61 1.01 -0.19 -1.08 121.20 120.74 1nzi s ILE 35 Ca 0.02 -0.19 -0.10 0.00 0.00 0.00 0.00 60.65 60.38 1nzi s ILE 35 Cb -0.00 -0.61 0.02 0.00 0.01 0.00 0.00 42.46 41.88 1nzi s ILE 35 CO 0.01 0.23 0.18 -2.28 0.00 0.00 0.00 174.94 173.09 1nzi s HIS 36 N 0.74 3.23 -0.21 3.97 5.65 -0.27 -0.87 115.29 127.53 1nzi s HIS 36 Ca -0.11 -0.97 -0.06 0.00 0.25 0.00 0.00 55.06 54.18 1nzi s HIS 36 Cb -0.13 -2.40 -0.02 0.00 -1.18 0.00 0.00 32.58 28.84 1nzi s HIS 36 CO 0.01 -0.63 0.01 -1.17 -0.65 0.00 0.00 174.74 172.31 1nzi s LEU 37 N 1.54 3.29 -0.02 8.88 2.96 0.09 -1.33 118.68 134.09 1nzi s LEU 37 Ca 0.02 -0.21 0.03 0.00 -0.22 0.00 0.00 54.13 53.75 1nzi s LEU 37 Cb -0.19 -1.85 0.00 0.00 0.50 0.00 0.00 46.19 44.66 1nzi s LEU 37 CO 0.06 0.04 -0.09 -0.72 -1.32 0.00 0.00 176.35 174.32 1nzi s TYR 38 N 1.15 0.93 -0.18 5.38 1.13 0.20 -0.29 117.35 125.67 1nzi s TYR 38 Ca 0.03 -0.22 -0.14 0.00 -1.41 0.00 0.00 57.07 55.34 1nzi s TYR 38 Cb -0.14 -0.65 -0.05 0.00 -1.10 0.00 0.00 41.96 40.02 1nzi s TYR 38 CO 0.02 -0.08 0.29 -0.06 -2.51 0.00 0.00 175.55 173.21 1nzi s PHE 39 N 0.08 3.42 -1.28 -3.49 0.40 0.26 -0.77 117.98 116.60 1nzi s PHE 39 Ca -0.01 0.54 0.14 0.00 -0.60 0.00 0.00 56.93 57.00 1nzi s PHE 39 Cb -0.07 -2.37 0.00 0.00 0.51 0.00 0.00 43.02 41.09 1nzi s PHE 39 CO 0.00 0.16 0.78 0.25 0.70 0.00 0.00 175.22 177.11 1nzi n THR 40 N 3.84 0.00 -3.69 0.64 -2.24 -0.01 -0.40 114.28 112.42 1nzi n THR 40 Ca -0.12 -0.37 -0.10 0.00 -2.27 0.00 0.00 64.05 61.19 1nzi n THR 40 Cb 0.52 1.17 -0.10 0.00 -2.10 0.00 0.00 70.33 69.81 1nzi n THR 40 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1nzi s HIS 41 N -1.65 -0.63 -0.21 4.78 5.65 -1.16 -4.79 115.29 117.28 1nzi s HIS 41 Ca 0.12 1.35 -0.04 0.00 0.25 0.00 0.00 55.06 56.74 1nzi s HIS 41 Cb 0.11 0.29 0.10 0.00 -1.18 0.00 0.00 32.58 31.90 1nzi s HIS 41 CO 0.33 -0.35 0.22 -1.17 -0.65 0.00 0.00 174.74 173.13 1nzi s LEU 42 N 1.28 -0.08 -0.42 8.88 2.96 -1.26 -1.99 118.68 128.06 1nzi s LEU 42 Ca -0.08 -0.32 0.05 0.00 -0.22 0.00 0.00 54.13 53.56 1nzi s LEU 42 Cb -0.07 0.35 0.19 0.00 0.50 0.00 0.00 46.19 47.15 1nzi s LEU 42 CO -0.12 -0.34 0.42 -0.67 -1.32 0.00 0.00 176.35 174.33 1nzi n ASP 43 N 5.31 -0.67 -4.20 3.68 4.64 0.13 -1.93 116.55 123.51 1nzi n ASP 43 Ca -0.05 -2.51 -0.25 0.00 -1.38 0.00 0.00 54.79 50.60 1nzi n ASP 43 Cb 0.49 -0.31 -0.15 0.00 -1.04 0.00 0.00 41.12 40.11 1nzi n ASP 43 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1nzi s ILE 44 N -0.11 1.49 0.14 5.18 1.01 -0.23 -1.10 121.20 127.59 1nzi s ILE 44 Ca 0.33 -0.96 -0.34 0.00 0.00 0.00 0.00 60.65 59.68 1nzi s ILE 44 Cb 0.07 -1.27 -0.16 0.00 0.01 0.00 0.00 42.46 41.10 1nzi s ILE 44 CO -0.17 0.29 1.21 1.21 0.00 0.00 0.00 174.94 177.48 1nzi n GLU 45 N 2.27 1.12 -2.99 2.79 2.13 -1.26 0.07 120.64 124.77 1nzi n GLU 45 Ca -0.16 0.40 -0.40 0.00 0.66 0.00 0.00 57.16 57.66 1nzi n GLU 45 Cb 0.54 -1.94 -0.05 0.00 0.27 0.00 0.00 31.44 30.26 1nzi n GLU 45 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1nzi s LEU 46 N 0.61 4.48 0.08 4.31 2.96 -1.26 -3.59 118.68 126.27 1nzi s LEU 46 Ca 0.77 1.49 -0.09 0.00 -0.22 0.00 0.00 54.13 56.07 1nzi s LEU 46 Cb -0.89 -3.24 0.00 0.00 0.50 0.00 0.00 46.19 42.56 1nzi s LEU 46 CO 0.51 0.06 0.20 -0.94 -1.32 0.00 0.00 176.35 174.86 1nzi s SER 47 N -0.30 0.08 0.13 3.68 1.04 -1.26 -4.97 113.70 112.10 1nzi s SER 47 Ca 0.38 -0.55 -0.31 0.00 0.48 0.00 0.00 55.95 55.94 1nzi s SER 47 Cb -0.21 0.33 -0.11 0.00 0.10 0.00 0.00 66.02 66.14 1nzi s SER 47 CO 0.24 -0.69 1.83 1.21 0.98 0.00 0.00 173.24 176.81 1nzi n GLU 48 N 0.14 2.79 -2.10 4.02 2.13 -1.26 -1.22 120.64 125.14 1nzi n GLU 48 Ca -0.16 1.02 -0.15 0.00 0.66 0.00 0.00 57.16 58.52 1nzi n GLU 48 Cb 0.61 -2.91 -0.03 0.00 0.27 0.00 0.00 31.44 29.39 1nzi n GLU 48 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1nzi n ASN 49 N 5.56 -4.47 -4.20 4.31 5.15 -1.26 -2.11 115.26 118.25 1nzi n ASN 49 Ca 0.18 0.21 -0.35 0.00 -0.60 0.00 0.00 54.58 54.02 1nzi n ASN 49 Cb 0.37 -3.86 -0.03 0.00 -0.53 0.00 0.00 39.78 35.73 1nzi n ASN 49 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1nzi h ALA 51 N 0.90 1.24 -3.00 0.00 0.00 -1.63 -3.41 119.26 113.36 1nzi h ALA 51 Ca -0.60 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.07 1nzi h ALA 51 Cb 1.38 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1nzi h ALA 51 CO 0.76 0.33 0.00 0.66 0.00 0.00 0.00 179.25 181.00 1nzi n TYR 52 N -3.75 0.00 -3.07 0.00 4.01 -1.26 -4.98 117.16 108.10 1nzi n TYR 52 Ca -0.01 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.37 1nzi n TYR 52 Cb 0.37 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.34 1nzi n TYR 52 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1nzi s ASP 53 N -1.00 7.07 -0.05 7.72 -0.00 -1.26 -4.45 116.67 124.70 1nzi s ASP 53 Ca 0.00 1.45 -0.31 0.00 -0.00 0.00 0.00 52.55 53.69 1nzi s ASP 53 Cb 0.00 -2.43 0.11 0.00 -0.00 0.00 0.00 42.92 40.60 1nzi s ASP 53 CO 0.00 0.01 1.13 -0.94 -0.00 0.00 0.00 175.17 175.37 1nzi s SER 54 N -1.67 -0.17 -0.10 0.27 1.04 -0.50 -4.79 113.70 107.78 1nzi s SER 54 Ca 0.44 -0.10 0.01 0.00 0.48 0.00 0.00 55.95 56.78 1nzi s SER 54 Cb -0.17 0.25 0.02 0.00 0.10 0.00 0.00 66.02 66.22 1nzi s SER 54 CO 0.21 -0.44 -0.13 0.54 0.98 0.00 0.00 173.24 174.41 1nzi s VAL 55 N -2.70 1.31 0.06 5.02 0.11 -0.54 -1.05 120.40 122.61 1nzi s VAL 55 Ca 0.10 -0.52 0.05 0.00 -2.93 0.00 0.00 61.98 58.68 1nzi s VAL 55 Cb 0.01 -1.22 -0.04 0.00 -1.53 0.00 0.00 36.38 33.59 1nzi s VAL 55 CO -0.04 0.40 -0.06 -1.10 -3.33 0.00 0.00 175.10 170.97 1nzi s GLN 56 N 1.13 2.41 -0.18 1.54 -0.21 0.59 -0.55 119.66 124.39 1nzi s GLN 56 Ca -0.05 -0.85 0.01 0.00 0.02 0.00 0.00 55.36 54.49 1nzi s GLN 56 Cb -0.14 -2.45 0.03 0.00 1.00 0.00 0.00 33.01 31.45 1nzi s GLN 56 CO -0.03 0.55 -0.16 0.42 -2.12 0.00 0.00 175.29 173.96 1nzi s ILE 57 N -1.15 1.86 -0.05 1.08 1.09 -0.20 -1.08 121.20 122.75 1nzi s ILE 57 Ca 0.21 -0.94 0.05 0.00 -1.10 0.00 0.00 60.65 58.88 1nzi s ILE 57 Cb -0.11 -1.77 -0.02 0.00 -1.06 0.00 0.00 42.46 39.50 1nzi s ILE 57 CO 0.12 0.40 -0.21 -0.63 -0.10 0.00 0.00 174.94 174.52 1nzi s ILE 58 N 1.35 2.44 -0.98 2.92 1.01 0.82 0.62 121.20 129.37 1nzi s ILE 58 Ca 0.02 -0.94 0.08 0.00 0.00 0.00 0.00 60.65 59.81 1nzi s ILE 58 Cb -0.14 -1.91 0.10 0.00 0.01 0.00 0.00 42.46 40.52 1nzi s ILE 58 CO -0.11 0.58 0.86 -1.20 0.00 0.00 0.00 174.94 175.07 1nzi n SER 59 N 2.63 1.92 0.00 3.58 7.64 0.72 -0.77 113.62 129.34 1nzi n SER 59 Ca -0.17 -1.49 0.00 0.00 1.01 0.00 0.00 58.87 58.22 1nzi n SER 59 Cb 0.52 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 1nzi n SER 59 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nzi n GLY 60 N 0.43 -1.58 0.07 0.23 0.00 -1.26 -4.81 105.19 98.27 1nzi n GLY 60 Ca 0.06 0.73 0.01 0.00 0.00 0.00 0.00 46.02 46.81 1nzi n GLY 60 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nzi n ASP 61 N 0.00 1.51 -4.66 1.61 2.03 -1.26 -4.97 116.55 110.81 1nzi n ASP 61 Ca 0.00 -1.42 -0.36 0.00 0.52 0.00 0.00 54.79 53.54 1nzi n ASP 61 Cb 0.00 -0.01 -0.09 0.00 -0.72 0.00 0.00 41.12 40.29 1nzi n ASP 61 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1nzi s THR 62 N -0.46 5.16 -0.27 5.18 2.01 -1.26 -5.08 115.64 120.93 1nzi s THR 62 Ca 0.02 0.11 -0.25 0.00 0.31 0.00 0.00 61.69 61.89 1nzi s THR 62 Cb 0.01 -3.38 -0.00 0.00 0.01 0.00 0.00 72.50 69.15 1nzi s THR 62 CO 0.02 0.40 0.83 -0.70 -0.69 0.00 0.00 174.62 174.48 1nzi s GLU 63 N 0.74 4.10 0.05 4.92 2.12 -1.26 -0.20 118.70 129.17 1nzi s GLU 63 Ca 0.06 0.84 0.09 0.00 0.36 0.00 0.00 54.97 56.32 1nzi s GLU 63 Cb -0.13 -3.68 -0.22 0.00 0.26 0.00 0.00 34.13 30.36 1nzi s GLU 63 CO 0.02 -0.60 1.00 0.93 -0.54 0.00 0.00 175.26 176.07 1nzi h GLU 64 N 7.85 0.01 -2.32 4.30 4.39 -0.17 -3.48 114.58 125.17 1nzi h GLU 64 Ca -0.23 -0.02 0.11 0.00 0.34 0.00 0.00 59.36 59.56 1nzi h GLU 64 Cb 1.09 0.01 -0.14 0.00 -0.10 0.00 0.00 28.75 29.60 1nzi h GLU 64 CO 0.89 0.78 0.48 0.20 -1.16 0.00 0.00 179.01 180.20 1nzi s GLY 65 N -4.89 -0.45 -0.14 -3.84 0.00 -0.84 -4.96 107.32 92.19 1nzi s GLY 65 Ca -0.02 0.91 -0.05 0.00 0.00 0.00 0.00 44.72 45.56 1nzi s GLY 65 CO 0.82 0.30 0.29 -1.60 0.00 0.00 0.00 173.10 172.91 1nzi s ARG 66 N -3.16 0.19 0.09 2.90 3.52 -1.26 -1.03 118.95 120.19 1nzi s ARG 66 Ca 0.05 0.79 0.08 0.00 -0.13 0.00 0.00 55.73 56.52 1nzi s ARG 66 Cb -0.01 0.03 -0.03 0.00 -1.56 0.00 0.00 34.95 33.38 1nzi s ARG 66 CO -0.08 -0.27 -0.20 -0.51 -0.81 0.00 0.00 175.30 173.43 1nzi s LEU 67 N 2.39 2.28 0.32 -0.88 1.43 0.29 -4.98 118.68 119.53 1nzi s LEU 67 Ca 0.00 -0.66 -0.18 0.00 -1.03 0.00 0.00 54.13 52.26 1nzi s LEU 67 Cb -0.12 -0.83 0.05 0.00 0.03 0.00 0.00 46.19 45.32 1nzi s LEU 67 CO -0.09 0.05 0.84 0.00 0.23 0.00 0.00 176.35 177.37 1nzi n GLY 69 N -0.55 -3.05 3.41 0.00 0.00 0.11 -4.87 105.19 100.23 1nzi n GLY 69 Ca -0.06 -1.80 -0.33 0.00 0.00 0.00 0.00 46.02 43.83 1nzi n GLY 69 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nzi s GLN 70 N -0.83 3.33 -0.18 1.61 -0.21 -1.25 -1.06 119.66 121.06 1nzi s GLN 70 Ca 0.00 -0.66 -0.19 0.00 0.02 0.00 0.00 55.36 54.53 1nzi s GLN 70 Cb 0.00 -2.65 0.05 0.00 1.00 0.00 0.00 33.01 31.41 1nzi s GLN 70 CO 0.00 0.27 0.53 -0.98 -2.12 0.00 0.00 175.29 172.99 1nzi s ARG 71 N 0.21 0.66 0.50 2.91 1.70 -0.81 -5.02 118.95 119.10 1nzi s ARG 71 Ca -0.07 0.64 0.03 0.00 -0.47 0.00 0.00 55.73 55.86 1nzi s ARG 71 Cb -0.15 0.32 -0.01 0.00 -0.57 0.00 0.00 34.95 34.54 1nzi s ARG 71 CO 0.05 -0.10 0.09 -1.12 -1.08 0.00 0.00 175.30 173.13 1nzi s SER 72 N 0.05 4.21 0.73 -2.89 0.01 -1.26 -4.08 113.70 110.48 1nzi s SER 72 Ca -0.02 -1.52 0.00 0.00 1.31 0.00 0.00 55.95 55.73 1nzi s SER 72 Cb -0.04 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.54 1nzi s SER 72 CO 0.02 -0.84 0.00 -0.24 0.41 0.00 0.00 173.24 172.59 1nzi n SER 73 N -1.32 -0.52 -1.20 2.44 2.88 -1.26 -4.83 113.62 109.80 1nzi n SER 73 Ca -0.13 -0.47 0.00 0.00 -1.33 0.00 0.00 58.87 56.93 1nzi n SER 73 Cb 0.66 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.12 1nzi n SER 73 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1nzi n ASN 75 N -2.20 -0.18 0.08 -3.46 2.85 -1.26 -5.05 115.26 106.04 1nzi n ASN 75 Ca 0.00 0.59 0.11 0.00 -0.11 0.00 0.00 54.58 55.16 1nzi n ASN 75 Cb 0.00 -0.88 0.44 0.00 1.24 0.00 0.00 39.78 40.57 1nzi n ASN 75 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1nzi n PRO 76 N 1.80 0.13 -0.30 1.20 -0.04 -1.26 -2.95 135.00 133.58 1nzi n PRO 76 Ca 0.00 0.32 0.10 0.00 -0.04 0.00 0.00 63.50 63.89 1nzi n PRO 76 Cb 0.00 -1.73 0.27 0.00 -0.04 0.00 0.00 33.50 32.00 1nzi n PRO 76 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1nzi n HIS 77 N -1.97 0.80 -3.81 0.54 8.25 -1.26 -4.92 115.22 112.85 1nzi n HIS 77 Ca 0.03 -0.46 -0.13 0.00 -0.26 0.00 0.00 57.72 56.91 1nzi n HIS 77 Cb 0.24 -0.01 -0.13 0.00 1.12 0.00 0.00 29.99 31.22 1nzi n HIS 77 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1nzi s SER 78 N -1.06 -0.16 0.00 0.41 0.15 -1.15 -5.04 113.70 106.85 1nzi s SER 78 Ca 0.42 0.32 0.29 0.00 0.70 0.00 0.00 55.95 57.68 1nzi s SER 78 Cb 0.22 0.31 1.29 0.00 -1.71 0.00 0.00 66.02 66.13 1nzi s SER 78 CO 0.29 -0.07 1.88 -0.81 1.20 0.00 0.00 173.24 175.74 1nzi n PRO 79 N 3.16 1.21 -2.06 5.44 -0.04 -1.26 -4.69 135.00 136.76 1nzi n PRO 79 Ca -0.14 -0.51 -0.42 0.00 -0.04 0.00 0.00 63.50 62.38 1nzi n PRO 79 Cb 0.58 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.52 1nzi n PRO 79 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1nzi s ILE 80 N -2.14 3.09 -0.13 0.52 1.01 -1.26 -4.40 121.20 117.88 1nzi s ILE 80 Ca 0.37 0.72 0.09 0.00 0.00 0.00 0.00 60.65 61.83 1nzi s ILE 80 Cb 0.21 -3.46 -0.14 0.00 0.01 0.00 0.00 42.46 39.08 1nzi s ILE 80 CO 0.39 0.04 0.00 1.33 0.00 0.00 0.00 174.94 176.70 1nzi n VAL 81 N 4.17 0.83 -3.79 2.92 0.24 0.46 -4.43 118.33 118.74 1nzi n VAL 81 Ca 0.13 -0.47 -0.13 0.00 -2.04 0.00 0.00 64.34 61.83 1nzi n VAL 81 Cb 0.41 -0.76 -0.10 0.00 -1.47 0.00 0.00 33.84 31.92 1nzi n VAL 81 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1nzi s GLU 82 N -2.29 0.52 0.11 7.34 0.41 -1.22 -4.95 118.70 118.61 1nzi s GLU 82 Ca -0.09 -0.05 -0.13 0.00 -0.41 0.00 0.00 54.97 54.29 1nzi s GLU 82 Cb 0.04 0.23 0.02 0.00 -1.78 0.00 0.00 34.13 32.64 1nzi s GLU 82 CO 0.46 -0.12 0.30 -1.83 -0.49 0.00 0.00 175.26 173.58 1nzi s GLU 83 N -0.87 0.97 -0.01 1.61 -1.05 -1.26 -0.57 118.70 117.51 1nzi s GLU 83 Ca -0.09 -0.82 -0.02 0.00 -0.15 0.00 0.00 54.97 53.88 1nzi s GLU 83 Cb -0.05 0.41 0.00 0.00 -0.44 0.00 0.00 34.13 34.06 1nzi s GLU 83 CO 0.02 -0.35 0.04 -0.06 0.95 0.00 0.00 175.26 175.87 1nzi s PHE 84 N -3.83 -0.01 -0.17 4.83 0.40 0.61 -5.01 117.98 114.80 1nzi s PHE 84 Ca 0.04 0.03 0.01 0.00 -0.60 0.00 0.00 56.93 56.41 1nzi s PHE 84 Cb 0.03 -0.01 0.03 0.00 0.51 0.00 0.00 43.02 43.58 1nzi s PHE 84 CO -0.12 -0.06 -0.16 -1.14 0.70 0.00 0.00 175.22 174.45 1nzi s GLN 85 N -0.22 2.59 -0.03 0.44 2.00 -1.26 -0.73 119.66 122.45 1nzi s GLN 85 Ca -0.03 -0.75 0.06 0.00 -2.00 0.00 0.00 55.36 52.64 1nzi s GLN 85 Cb -0.02 -2.39 -0.01 0.00 0.80 0.00 0.00 33.01 31.39 1nzi s GLN 85 CO 0.00 -0.26 -0.20 0.14 -0.50 0.00 0.00 175.29 174.47 1nzi s VAL 86 N 1.37 1.62 -2.00 1.34 -7.23 -0.05 -5.00 120.40 110.45 1nzi s VAL 86 Ca 0.04 -0.85 0.17 0.00 -1.81 0.00 0.00 61.98 59.53 1nzi s VAL 86 Cb -0.14 -1.36 0.49 0.00 0.56 0.00 0.00 36.38 35.93 1nzi s VAL 86 CO -0.11 0.46 1.44 -0.81 -0.31 0.00 0.00 175.10 175.77 1nzi n PRO 87 N 2.82 0.63 -3.84 4.82 -0.04 -1.26 -1.02 135.00 137.10 1nzi n PRO 87 Ca -0.16 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.09 1nzi n PRO 87 Cb 0.53 -1.43 -0.02 0.00 -0.04 0.00 0.00 33.50 32.54 1nzi n PRO 87 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1nzi s TYR 88 N -2.00 3.19 -2.05 0.54 2.02 -1.26 -4.64 117.35 113.15 1nzi s TYR 88 Ca 0.26 -0.14 0.21 0.00 -0.37 0.00 0.00 57.07 57.03 1nzi s TYR 88 Cb 0.12 -1.68 0.59 0.00 -0.40 0.00 0.00 41.96 40.59 1nzi s TYR 88 CO 0.20 0.29 1.50 0.27 -1.57 0.00 0.00 175.55 176.24 1nzi n ASN 89 N -1.41 3.64 -4.01 2.29 2.04 -1.24 -3.42 115.26 113.14 1nzi n ASN 89 Ca -0.05 -2.00 -0.13 0.00 -0.44 0.00 0.00 54.58 51.96 1nzi n ASN 89 Cb 0.58 -0.44 -0.12 0.00 -2.53 0.00 0.00 39.78 37.27 1nzi n ASN 89 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 1nzi s LYS 90 N -1.13 0.43 0.06 -3.83 1.02 -1.26 -0.98 119.74 114.05 1nzi s LYS 90 Ca 0.45 -0.51 -0.21 0.00 0.02 0.00 0.00 55.97 55.72 1nzi s LYS 90 Cb 0.24 -0.25 0.05 0.00 -0.52 0.00 0.00 37.83 37.35 1nzi s LYS 90 CO 0.31 0.05 0.50 -1.17 -0.92 0.00 0.00 175.35 174.12 1nzi s LEU 91 N -1.02 0.03 0.00 3.17 2.96 -0.66 -4.85 118.68 118.31 1nzi s LEU 91 Ca -0.07 0.11 0.06 0.00 -0.22 0.00 0.00 54.13 54.01 1nzi s LEU 91 Cb -0.07 2.05 -0.02 0.00 0.50 0.00 0.00 46.19 48.66 1nzi s LEU 91 CO 0.00 -0.73 -0.18 -1.58 -1.32 0.00 0.00 176.35 172.54 1nzi s GLN 92 N -2.58 1.38 -0.06 1.98 0.74 0.05 -0.29 119.66 120.88 1nzi s GLN 92 Ca -0.05 -0.71 0.05 0.00 0.05 0.00 0.00 55.36 54.71 1nzi s GLN 92 Cb -0.01 -1.37 -0.01 0.00 1.10 0.00 0.00 33.01 32.73 1nzi s GLN 92 CO -0.03 0.37 -0.23 0.08 -0.55 0.00 0.00 175.29 174.93 1nzi s VAL 93 N -0.54 1.93 -0.07 1.34 1.01 -0.27 -0.12 120.40 123.68 1nzi s VAL 93 Ca 0.06 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.09 1nzi s VAL 93 Cb -0.07 -1.64 0.01 0.00 0.00 0.00 0.00 36.38 34.67 1nzi s VAL 93 CO 0.00 0.54 -0.16 -0.63 0.00 0.00 0.00 175.10 174.84 1nzi s ILE 94 N -0.03 1.45 -0.09 2.22 1.01 -0.24 -0.81 121.20 124.70 1nzi s ILE 94 Ca -0.06 -0.67 0.02 0.00 0.00 0.00 0.00 60.65 59.94 1nzi s ILE 94 Cb -0.14 -1.28 -0.02 0.00 0.01 0.00 0.00 42.46 41.03 1nzi s ILE 94 CO 0.04 0.42 -0.15 0.12 0.00 0.00 0.00 174.94 175.37 1nzi s PHE 95 N 0.48 2.72 -0.03 3.97 5.36 0.75 -0.30 117.98 130.94 1nzi s PHE 95 Ca -0.14 -0.47 0.03 0.00 -0.96 0.00 0.00 56.93 55.38 1nzi s PHE 95 Cb -0.16 -1.73 0.00 0.00 -0.34 0.00 0.00 43.02 40.79 1nzi s PHE 95 CO 0.05 -0.06 -0.12 0.15 -1.46 0.00 0.00 175.22 173.78 1nzi s LYS 96 N -0.13 1.31 -0.14 10.12 1.02 -0.21 -0.79 119.74 130.91 1nzi s LYS 96 Ca -0.02 -0.42 0.01 0.00 0.02 0.00 0.00 55.97 55.56 1nzi s LYS 96 Cb -0.14 -1.17 0.02 0.00 -0.52 0.00 0.00 37.83 36.02 1nzi s LYS 96 CO 0.04 0.15 -0.14 0.45 -0.92 0.00 0.00 175.35 174.93 1nzi s SER 97 N 0.18 2.59 -0.14 2.83 0.15 -0.08 -1.41 113.70 117.82 1nzi s SER 97 Ca -0.04 -0.46 -0.03 0.00 0.70 0.00 0.00 55.95 56.12 1nzi s SER 97 Cb -0.10 -1.13 -0.03 0.00 -1.71 0.00 0.00 66.02 63.05 1nzi s SER 97 CO 0.01 -0.04 -0.05 -1.81 1.20 0.00 0.00 173.24 172.55 1nzi s ASP 98 N 1.39 4.70 0.91 5.45 1.01 -1.26 -1.62 116.67 127.25 1nzi s ASP 98 Ca 0.02 -0.13 0.00 0.00 0.71 0.00 0.00 52.55 53.15 1nzi s ASP 98 Cb -0.13 -1.68 0.00 0.00 1.01 0.00 0.00 42.92 42.12 1nzi s ASP 98 CO -0.08 0.20 0.00 0.49 0.21 0.00 0.00 175.17 175.98 1nzi n PHE 99 N 3.32 -1.49 -2.43 4.23 3.01 -1.26 -4.69 117.46 118.16 1nzi n PHE 99 Ca -0.18 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 57.88 1nzi n PHE 99 Cb 0.53 0.23 -0.04 0.00 -0.01 0.00 0.00 39.48 40.19 1nzi n PHE 99 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1nzi s SER 100 N -4.00 7.17 -1.22 4.37 0.01 -1.26 -2.56 113.70 116.21 1nzi s SER 100 Ca 0.00 2.20 -0.06 0.00 1.31 0.00 0.00 55.95 59.40 1nzi s SER 100 Cb 0.00 -2.61 0.20 0.00 0.21 0.00 0.00 66.02 63.82 1nzi s SER 100 CO 0.00 -0.29 1.93 -3.20 0.41 0.00 0.00 173.24 172.10 1nzi n ASN 101 N 2.21 6.46 0.23 2.44 5.15 -1.26 -4.78 115.26 125.71 1nzi n ASN 101 Ca 0.03 -3.25 0.08 0.00 -0.60 0.00 0.00 54.58 50.83 1nzi n ASN 101 Cb 0.45 -1.37 0.55 0.00 -0.53 0.00 0.00 39.78 38.88 1nzi n ASN 101 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1nzi h GLU 102 N 5.17 0.00 -0.00 1.20 5.08 -1.97 -2.31 114.58 121.75 1nzi h GLU 102 Ca 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 1nzi h GLU 102 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1nzi h GLU 102 CO 1.47 0.21 -0.10 0.39 -1.00 0.00 0.00 179.01 179.99 1nzi n GLU 103 N -3.94 0.81 -3.31 2.33 1.02 -1.26 -4.95 120.64 111.34 1nzi n GLU 103 Ca -0.02 -0.29 -0.18 0.00 -0.02 0.00 0.00 57.16 56.66 1nzi n GLU 103 Cb 0.30 -1.49 0.06 0.00 -0.02 0.00 0.00 31.44 30.29 1nzi n GLU 103 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1nzi n ARG 104 N -0.84 -6.01 -1.93 3.49 5.12 -0.87 -4.97 116.66 110.64 1nzi n ARG 104 Ca 0.16 0.65 -0.39 0.00 -1.93 0.00 0.00 57.85 56.33 1nzi n ARG 104 Cb 0.27 -5.13 0.01 0.00 -1.16 0.00 0.00 32.46 26.46 1nzi n ARG 104 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1nzi s PHE 105 N -3.25 2.57 -2.47 -1.55 0.08 -1.26 -4.52 117.98 107.58 1nzi s PHE 105 Ca 0.37 1.37 0.23 0.00 0.12 0.00 0.00 56.93 59.02 1nzi s PHE 105 Cb -0.16 -3.74 0.46 0.00 -0.57 0.00 0.00 43.02 39.00 1nzi s PHE 105 CO 0.57 -2.49 1.42 0.25 -0.10 0.00 0.00 175.22 174.87 1nzi n THR 106 N -0.36 0.47 -0.36 0.64 -2.24 -1.08 -1.82 114.28 109.52 1nzi n THR 106 Ca 0.06 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1nzi n THR 106 Cb 0.44 0.92 0.00 0.00 -2.10 0.00 0.00 70.33 69.59 1nzi n THR 106 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nzi n GLY 107 N 1.48 0.64 3.58 3.38 0.00 -0.26 -4.61 105.19 109.40 1nzi n GLY 107 Ca 0.19 -1.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.04 1nzi n GLY 107 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1nzi s PHE 108 N 0.00 -0.20 -0.02 1.61 -0.71 -1.26 0.20 117.98 117.60 1nzi s PHE 108 Ca 0.00 -0.15 0.00 0.00 -1.04 0.00 0.00 56.93 55.75 1nzi s PHE 108 Cb 0.00 0.49 0.02 0.00 -1.21 0.00 0.00 43.02 42.32 1nzi s PHE 108 CO 0.00 -0.98 -0.00 0.00 -1.34 0.00 0.00 175.22 172.89 1nzi s ALA 109 N -3.87 0.26 0.05 1.99 0.00 -0.84 -1.83 121.76 117.52 1nzi s ALA 109 Ca 0.08 0.11 -0.00 0.00 0.00 0.00 0.00 51.96 52.16 1nzi s ALA 109 Cb -0.02 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 1nzi s ALA 109 CO -0.02 -0.04 -0.04 0.00 0.00 0.00 0.00 175.76 175.66 1nzi s ALA 110 N 0.73 0.46 0.08 0.00 0.00 -0.07 -0.83 121.76 122.13 1nzi s ALA 110 Ca -0.07 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 50.89 1nzi s ALA 110 Cb -0.10 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.20 1nzi s ALA 110 CO -0.01 -0.27 -0.10 0.71 0.00 0.00 0.00 175.76 176.08 1nzi s TYR 111 N -3.05 0.99 0.03 0.00 2.02 0.05 -0.74 117.35 116.66 1nzi s TYR 111 Ca 0.00 -0.62 0.01 0.00 -0.37 0.00 0.00 57.07 56.09 1nzi s TYR 111 Cb 0.02 -0.55 -0.02 0.00 -0.40 0.00 0.00 41.96 41.00 1nzi s TYR 111 CO -0.06 -0.02 -0.05 1.52 -1.57 0.00 0.00 175.55 175.37 1nzi s TYR 112 N -2.15 0.45 0.01 2.71 1.13 -0.55 -0.63 117.35 118.32 1nzi s TYR 112 Ca 0.02 -0.55 0.01 0.00 -1.41 0.00 0.00 57.07 55.13 1nzi s TYR 112 Cb -0.05 -0.29 -0.01 0.00 -1.10 0.00 0.00 41.96 40.51 1nzi s TYR 112 CO 0.00 -0.16 -0.03 0.14 -2.51 0.00 0.00 175.55 173.00 1nzi s VAL 113 N -1.60 0.16 0.38 -3.49 -7.23 -0.44 -1.41 120.40 106.77 1nzi s VAL 113 Ca -0.12 -0.38 -0.26 0.00 -1.81 0.00 0.00 61.98 59.40 1nzi s VAL 113 Cb -0.09 -0.20 -0.09 0.00 0.56 0.00 0.00 36.38 36.56 1nzi s VAL 113 CO -0.01 -0.14 1.19 0.00 -0.31 0.00 0.00 175.10 175.83 1nzi s ALA 114 N -0.53 3.24 -0.04 1.32 0.00 -0.02 -1.11 121.76 124.61 1nzi s ALA 114 Ca -0.05 1.03 0.04 0.00 0.00 0.00 0.00 51.96 52.98 1nzi s ALA 114 Cb -0.04 -3.40 -0.00 0.00 0.00 0.00 0.00 23.12 19.68 1nzi s ALA 114 CO -0.00 -0.53 -0.17 0.95 0.00 0.00 0.00 175.76 176.00 1nzi s THR 115 N -1.33 1.45 0.33 0.00 -4.23 -0.24 -4.88 115.64 106.74 1nzi s THR 115 Ca 0.54 -0.73 -0.29 0.00 -1.18 0.00 0.00 61.69 60.04 1nzi s THR 115 Cb -0.33 -1.25 -0.10 0.00 1.34 0.00 0.00 72.50 72.16 1nzi s THR 115 CO 0.42 0.42 1.36 -0.62 -0.54 0.00 0.00 174.62 175.66 1nzi s ASP 116 N 0.03 6.67 0.01 3.99 2.15 -1.26 0.58 116.67 128.83 1nzi s ASP 116 Ca -0.04 2.76 -0.21 0.00 0.43 0.00 0.00 52.55 55.49 1nzi s ASP 116 Cb -0.12 -2.65 -0.05 0.00 -0.30 0.00 0.00 42.92 39.80 1nzi s ASP 116 CO 0.02 -0.63 0.62 -0.63 -0.17 0.00 0.00 175.17 174.38 1nzi s ILE 117 N -0.95 4.86 -0.69 4.11 1.01 -0.80 -4.74 121.20 124.01 1nzi s ILE 117 Ca 0.51 1.31 -0.17 0.00 0.00 0.00 0.00 60.65 62.31 1nzi s ILE 117 Cb -0.41 -3.96 0.15 0.00 0.01 0.00 0.00 42.46 38.24 1nzi s ILE 117 CO 0.53 0.42 0.72 0.21 0.00 0.00 0.00 174.94 176.83 1nzi s ASN 118 N -0.24 6.40 0.63 3.58 3.84 -1.26 -4.81 114.94 123.08 1nzi s ASN 118 Ca 0.32 -1.94 0.40 0.00 0.21 0.00 0.00 52.86 51.85 1nzi s ASN 118 Cb -0.19 -2.27 2.08 0.00 -0.55 0.00 0.00 41.25 40.32 1nzi s ASN 118 CO 0.18 -0.90 2.25 -0.33 -2.79 0.00 0.00 177.10 175.52 1nzi h GLU 119 N 8.68 0.00 0.10 0.43 3.07 -1.94 0.50 114.58 125.42 1nzi h GLU 119 Ca -0.13 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 58.47 1nzi h GLU 119 Cb 1.07 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.97 1nzi h GLU 119 CO 0.99 0.01 -1.21 0.00 -1.40 0.00 0.00 179.01 177.40 1nzi n THR 121 N -3.48 0.01 0.31 0.00 -2.24 -1.03 -4.64 114.28 103.22 1nzi n THR 121 Ca -0.07 -0.06 0.21 0.00 -2.27 0.00 0.00 64.05 61.86 1nzi n THR 121 Cb 1.01 0.31 1.01 0.00 -2.10 0.00 0.00 70.33 70.56 1nzi n THR 121 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1nzi h ASP 122 N 0.00 0.00 -1.50 3.42 3.45 -1.14 -3.45 116.42 117.20 1nzi h ASP 122 Ca -0.01 0.00 -0.61 0.00 0.43 0.00 0.00 57.03 56.84 1nzi h ASP 122 Cb 0.21 0.00 -0.11 0.00 -0.56 0.00 0.00 39.33 38.87 1nzi h ASP 122 CO 0.00 0.00 -0.55 -0.36 -1.57 0.00 0.00 179.24 176.76 1nzi s PHE 123 N -3.97 2.47 0.13 4.55 0.40 -1.26 -5.06 117.98 115.24 1nzi s PHE 123 Ca -0.03 -0.67 -0.21 0.00 -0.60 0.00 0.00 56.93 55.42 1nzi s PHE 123 Cb 0.11 -1.83 -0.01 0.00 0.51 0.00 0.00 43.02 41.81 1nzi s PHE 123 CO 0.47 0.32 1.67 0.28 0.70 0.00 0.00 175.22 178.66 1nzi h VAL 124 N 1.60 0.64 -3.23 -0.44 2.07 -1.97 -3.42 116.25 111.50 1nzi h VAL 124 Ca -0.43 0.00 -0.64 0.00 0.82 0.00 0.00 66.70 66.45 1nzi h VAL 124 Cb 1.25 0.64 -0.11 0.00 -1.52 0.00 0.00 31.29 31.55 1nzi h VAL 124 CO 0.76 0.00 -0.64 -1.81 0.02 0.00 0.00 177.57 175.90 1nzi s ASP 125 N -5.11 5.18 0.00 0.57 -0.00 -1.26 -5.09 116.67 110.96 1nzi s ASP 125 Ca -0.14 -0.14 -0.27 0.00 -0.00 0.00 0.00 52.55 52.00 1nzi s ASP 125 Cb 0.11 -1.28 -0.04 0.00 -0.00 0.00 0.00 42.92 41.71 1nzi s ASP 125 CO 0.68 0.16 0.84 -0.69 -0.00 0.00 0.00 175.17 176.17 1nzi s VAL 126 N -1.39 4.85 -0.89 -1.27 1.01 -1.26 -4.94 120.40 116.51 1nzi s VAL 126 Ca 0.27 1.77 0.00 0.00 0.00 0.00 0.00 61.98 64.03 1nzi s VAL 126 Cb -0.12 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.08 1nzi s VAL 126 CO 0.20 0.25 0.44 -0.81 0.00 0.00 0.00 175.10 175.18 1nzi n PRO 127 N 3.47 0.79 -4.03 2.72 -0.04 -1.26 -4.77 135.00 131.89 1nzi n PRO 127 Ca 0.01 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.36 1nzi n PRO 127 Cb 0.51 -1.36 -0.11 0.00 -0.04 0.00 0.00 33.50 32.49 1nzi n PRO 127 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nzi h SER 129 N 4.60 0.72 0.00 0.00 4.64 -1.48 -3.46 113.55 118.57 1nzi h SER 129 Ca -0.34 -0.39 0.00 0.00 -0.47 0.00 0.00 61.79 60.59 1nzi h SER 129 Cb 1.21 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1nzi h SER 129 CO 0.41 1.13 0.00 1.41 -0.87 0.00 0.00 176.83 178.91 1nzi n HIS 130 N -3.97 0.00 -3.10 4.77 8.25 -1.26 -5.01 115.22 114.90 1nzi n HIS 130 Ca -0.04 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.03 1nzi n HIS 130 Cb 0.62 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.68 1nzi n HIS 130 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1nzi s PHE 131 N 1.61 3.55 -0.13 4.41 0.08 -0.91 -4.96 117.98 121.64 1nzi s PHE 131 Ca 0.00 1.16 -0.04 0.00 0.12 0.00 0.00 56.93 58.17 1nzi s PHE 131 Cb 0.00 -2.76 -0.03 0.00 -0.57 0.00 0.00 43.02 39.66 1nzi s PHE 131 CO 0.00 0.09 0.02 0.00 -0.10 0.00 0.00 175.22 175.23 1nzi s ASN 133 N -0.29 4.45 0.34 0.00 0.01 0.36 -4.98 114.94 114.83 1nzi s ASN 133 Ca 0.07 -1.87 -0.26 0.00 -0.71 0.00 0.00 52.86 50.09 1nzi s ASN 133 Cb -0.12 -1.37 -0.09 0.00 0.41 0.00 0.00 41.25 40.08 1nzi s ASN 133 CO 0.02 -0.36 1.02 0.21 -1.51 0.00 0.00 177.10 176.48 1nzi s ASN 134 N 1.16 7.11 0.28 -1.22 2.47 -1.26 -1.02 114.94 122.46 1nzi s ASN 134 Ca 0.08 2.04 -0.00 0.00 0.42 0.00 0.00 52.86 55.39 1nzi s ASN 134 Cb -0.19 -2.60 -0.02 0.00 -1.45 0.00 0.00 41.25 36.99 1nzi s ASN 134 CO -0.12 -0.24 0.29 0.72 -3.72 0.00 0.00 177.10 174.03 1nzi s PHE 135 N -1.48 1.21 -0.32 0.43 -0.71 -0.84 -4.95 117.98 111.32 1nzi s PHE 135 Ca 0.51 -1.36 -0.29 0.00 -1.04 0.00 0.00 56.93 54.75 1nzi s PHE 135 Cb -0.24 -0.40 -0.00 0.00 -1.21 0.00 0.00 43.02 41.16 1nzi s PHE 135 CO 0.30 -0.86 1.44 0.42 -1.34 0.00 0.00 175.22 175.18 1nzi s ILE 136 N -3.69 3.92 0.00 -4.49 1.01 -1.26 -2.81 121.20 113.87 1nzi s ILE 136 Ca 0.36 1.00 0.00 0.00 0.00 0.00 0.00 60.65 62.00 1nzi s ILE 136 Cb 0.03 -4.04 0.00 0.00 0.01 0.00 0.00 42.46 38.46 1nzi s ILE 136 CO 0.18 -0.52 0.00 0.61 0.00 0.00 0.00 174.94 175.21 1nzi n GLY 137 N 4.72 1.85 0.00 6.18 0.00 -1.26 -4.98 105.19 111.70 1nzi n GLY 137 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1nzi n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nzi n GLY 138 N -1.94 2.43 3.57 -0.02 0.00 -1.12 -4.49 105.19 103.60 1nzi n GLY 138 Ca 0.00 -0.45 -0.07 0.00 0.00 0.00 0.00 46.02 45.49 1nzi n GLY 138 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1nzi s TYR 139 N -1.37 -0.30 -0.01 1.61 1.13 -1.26 -1.98 117.35 115.16 1nzi s TYR 139 Ca 0.00 0.11 -0.08 0.00 -1.41 0.00 0.00 57.07 55.70 1nzi s TYR 139 Cb 0.00 0.57 0.01 0.00 -1.10 0.00 0.00 41.96 41.43 1nzi s TYR 139 CO 0.00 -0.65 0.16 -0.59 -2.51 0.00 0.00 175.55 171.96 1nzi s PHE 140 N -3.22 -0.02 0.18 -3.49 -0.12 -0.19 -4.96 117.98 106.17 1nzi s PHE 140 Ca 0.07 0.01 -0.05 0.00 -0.05 0.00 0.00 56.93 56.90 1nzi s PHE 140 Cb -0.01 -0.02 -0.06 0.00 -0.63 0.00 0.00 43.02 42.31 1nzi s PHE 140 CO -0.06 -0.26 0.42 0.00 -0.05 0.00 0.00 175.22 175.27 1nzi s SER 142 N -2.58 0.61 0.25 0.00 1.04 0.31 -4.96 113.70 108.37 1nzi s SER 142 Ca 0.42 -1.49 0.04 0.00 0.48 0.00 0.00 55.95 55.40 1nzi s SER 142 Cb -0.12 0.44 -0.05 0.00 0.10 0.00 0.00 66.02 66.39 1nzi s SER 142 CO 0.25 -0.92 -0.01 0.00 0.98 0.00 0.00 173.24 173.53 1nzi s PRO 144 N -3.83 1.90 0.45 0.00 0.02 -1.26 -4.89 135.00 127.39 1nzi s PRO 144 Ca 0.29 1.20 -0.25 0.00 0.02 0.00 0.00 61.00 62.26 1nzi s PRO 144 Cb 0.05 -1.85 -0.08 0.00 0.02 0.00 0.00 34.50 32.64 1nzi s PRO 144 CO 0.10 -1.90 1.43 -1.25 -0.33 0.00 0.00 177.00 175.05 1nzi s PRO 145 N -4.86 3.68 0.00 5.54 0.04 -1.26 -1.93 135.00 136.22 1nzi s PRO 145 Ca 0.62 2.43 0.00 0.00 0.04 0.00 0.00 61.00 64.09 1nzi s PRO 145 Cb -0.18 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.70 1nzi s PRO 145 CO 0.57 -0.82 0.00 0.39 0.04 0.00 0.00 177.00 177.17 1nzi n GLU 146 N -0.19 0.00 -4.14 4.56 1.02 -1.26 -5.02 120.64 115.60 1nzi n GLU 146 Ca 0.05 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.96 1nzi n GLU 146 Cb 0.42 -2.47 -0.05 0.00 -0.02 0.00 0.00 31.44 29.32 1nzi n GLU 146 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1nzi s TYR 147 N -3.47 3.05 0.15 -0.32 1.51 -0.81 -4.69 117.35 112.76 1nzi s TYR 147 Ca 0.00 -0.12 0.06 0.00 -1.01 0.00 0.00 57.07 56.00 1nzi s TYR 147 Cb 0.00 -1.38 -0.04 0.00 -0.11 0.00 0.00 41.96 40.43 1nzi s TYR 147 CO 0.00 0.54 -0.14 -0.59 -1.11 0.00 0.00 175.55 174.25 1nzi s PHE 148 N -2.10 1.46 -0.07 2.71 -0.71 -0.01 -4.81 117.98 114.45 1nzi s PHE 148 Ca 0.32 -0.59 -0.20 0.00 -1.04 0.00 0.00 56.93 55.42 1nzi s PHE 148 Cb -0.08 -0.74 -0.04 0.00 -1.21 0.00 0.00 43.02 40.95 1nzi s PHE 148 CO 0.24 0.19 0.55 -1.17 -1.34 0.00 0.00 175.22 173.69 1nzi s LEU 149 N -2.79 4.33 0.95 -1.99 2.96 -1.26 -0.95 118.68 119.93 1nzi s LEU 149 Ca 0.14 0.99 -0.12 0.00 -0.22 0.00 0.00 54.13 54.92 1nzi s LEU 149 Cb -0.03 -2.83 0.16 0.00 0.50 0.00 0.00 46.19 44.00 1nzi s LEU 149 CO 0.03 0.02 1.09 -1.00 -1.32 0.00 0.00 176.35 175.17 1nzi s HIS 150 N 0.37 2.16 0.43 5.38 3.76 0.10 -4.88 115.29 122.62 1nzi s HIS 150 Ca 0.30 1.16 0.39 0.00 -0.15 0.00 0.00 55.06 56.76 1nzi s HIS 150 Cb -0.16 -3.20 2.07 0.00 1.11 0.00 0.00 32.58 32.40 1nzi s HIS 150 CO 0.14 -2.68 2.19 -0.44 -0.85 0.00 0.00 174.74 173.10 1nzi h ASP 151 N -1.75 0.00 0.04 1.40 3.32 -1.97 0.28 116.42 117.73 1nzi h ASP 151 Ca -0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.53 1nzi h ASP 151 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1nzi h ASP 151 CO 0.55 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.17 1nzi n ASP 152 N -2.91 0.00 -1.51 6.45 5.68 -1.26 -4.85 116.55 118.15 1nzi n ASP 152 Ca -0.02 -0.69 -0.17 0.00 -0.50 0.00 0.00 54.79 53.41 1nzi n ASP 152 Cb 0.09 -0.02 -0.07 0.00 -1.14 0.00 0.00 41.12 39.98 1nzi n ASP 152 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 1nzi n MET 153 N -1.02 -1.38 0.00 0.11 2.81 0.09 -4.72 117.12 113.00 1nzi n MET 153 Ca 0.17 0.97 0.00 0.00 -1.81 0.00 0.00 57.70 57.04 1nzi n MET 153 Cb 0.09 -5.29 0.00 0.00 -0.71 0.00 0.00 33.22 27.31 1nzi n MET 153 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1nzi n LYS 154 N -2.12 0.00 -3.92 0.03 4.81 -1.26 -4.37 118.16 111.33 1nzi n LYS 154 Ca -0.17 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 56.92 1nzi n LYS 154 Cb 0.55 -0.70 -0.06 0.00 0.02 0.00 0.00 35.03 34.84 1nzi n LYS 154 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1nzi s ASN 155 N -3.96 6.31 0.05 3.14 0.01 -1.26 -1.27 114.94 117.96 1nzi s ASN 155 Ca 0.00 0.39 0.01 0.00 -0.71 0.00 0.00 52.86 52.55 1nzi s ASN 155 Cb 0.00 -2.00 -0.04 0.00 0.41 0.00 0.00 41.25 39.62 1nzi s ASN 155 CO 0.00 0.34 0.11 0.00 -1.51 0.00 0.00 177.10 176.03 1nzi s GLY 157 N -2.20 1.41 0.19 0.00 0.00 -0.13 -4.92 107.32 101.67 1nzi s GLY 157 Ca 0.28 -1.50 0.07 0.00 0.00 0.00 0.00 44.72 43.57 1nzi s GLY 157 CO 0.21 -1.06 -0.13 -1.34 0.00 0.00 0.00 173.10 170.78 1nzi s VAL 158 N -3.46 1.54 -2.56 1.40 -7.23 -1.26 -0.83 120.40 108.00 1nzi s VAL 158 Ca 0.32 -2.16 0.28 0.00 -1.81 0.00 0.00 61.98 58.60 1nzi s VAL 158 Cb 0.01 -1.99 0.51 0.00 0.56 0.00 0.00 36.38 35.47 1nzi s VAL 158 CO 0.18 -0.64 1.69 0.59 -0.31 0.00 0.00 175.10 176.61