#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nzi n PRO 2 N 0.00 2.53 -4.41 3.49 -0.02 -1.26 -4.74 135.00 130.59 1nzi n PRO 2 Ca 0.00 0.90 -0.20 0.00 -2.02 0.00 0.00 63.50 62.18 1nzi n PRO 2 Cb 0.00 -2.66 -0.10 0.00 -0.02 0.00 0.00 33.50 30.72 1nzi n PRO 2 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1nzi s THR 3 N 0.11 1.19 -1.61 3.45 -4.23 -0.17 -4.84 115.64 109.54 1nzi s THR 3 Ca 0.66 -2.03 0.21 0.00 -1.18 0.00 0.00 61.69 59.35 1nzi s THR 3 Cb -0.54 -2.62 -0.08 0.00 1.34 0.00 0.00 72.50 70.61 1nzi s THR 3 CO 0.47 -0.13 0.98 0.23 -0.54 0.00 0.00 174.62 175.63 1nzi n MET 4 N -0.59 1.03 -3.63 3.99 2.81 -1.26 -4.10 117.12 115.37 1nzi n MET 4 Ca -0.03 -0.66 -0.01 0.00 -1.81 0.00 0.00 57.70 55.18 1nzi n MET 4 Cb 0.65 -1.44 -0.01 0.00 -0.71 0.00 0.00 33.22 31.72 1nzi n MET 4 CO 0.00 0.00 0.00 1.52 1.51 0.00 0.00 175.97 179.00 1nzi s TYR 5 N -2.52 -0.10 -0.02 2.03 -0.85 -1.26 -1.02 117.35 113.60 1nzi s TYR 5 Ca 0.14 -0.02 -0.30 0.00 -0.52 0.00 0.00 57.07 56.37 1nzi s TYR 5 Cb 0.16 0.55 0.12 0.00 0.38 0.00 0.00 41.96 43.17 1nzi s TYR 5 CO 0.63 -0.36 1.31 0.20 -1.52 0.00 0.00 175.55 175.80 1nzi s GLY 6 N -2.74 -0.33 0.03 5.49 0.00 -0.39 -4.97 107.32 104.41 1nzi s GLY 6 Ca 0.12 0.50 0.06 0.00 0.00 0.00 0.00 44.72 45.41 1nzi s GLY 6 CO -0.03 1.97 -0.19 1.85 0.00 0.00 0.00 173.10 176.70 1nzi s GLU 7 N -2.24 1.29 -0.09 2.90 2.12 -1.26 -1.52 118.70 119.90 1nzi s GLU 7 Ca 0.19 -0.84 -0.00 0.00 0.36 0.00 0.00 54.97 54.68 1nzi s GLU 7 Cb 0.03 -1.35 0.02 0.00 0.26 0.00 0.00 34.13 33.10 1nzi s GLU 7 CO -0.03 0.35 -0.06 0.42 -0.54 0.00 0.00 175.26 175.40 1nzi s ILE 8 N -0.74 0.82 -0.04 -3.70 1.01 0.32 -4.99 121.20 113.89 1nzi s ILE 8 Ca 0.06 -0.18 0.07 0.00 0.00 0.00 0.00 60.65 60.60 1nzi s ILE 8 Cb -0.08 -0.87 -0.01 0.00 0.01 0.00 0.00 42.46 41.50 1nzi s ILE 8 CO 0.01 0.33 -0.24 -0.76 0.00 0.00 0.00 174.94 174.28 1nzi s LEU 9 N 1.65 2.04 0.77 2.97 1.43 -1.26 -0.82 118.68 125.45 1nzi s LEU 9 Ca 0.02 -0.46 -0.14 0.00 -1.03 0.00 0.00 54.13 52.52 1nzi s LEU 9 Cb -0.13 -1.27 0.06 0.00 0.03 0.00 0.00 46.19 44.88 1nzi s LEU 9 CO -0.06 0.26 1.22 -0.94 0.23 0.00 0.00 176.35 177.06 1nzi s SER 10 N -0.33 3.86 0.24 2.29 1.04 -0.82 -4.88 113.70 115.11 1nzi s SER 10 Ca 0.02 2.40 -0.31 0.00 0.48 0.00 0.00 55.95 58.54 1nzi s SER 10 Cb -0.11 -2.59 -0.12 0.00 0.10 0.00 0.00 66.02 63.29 1nzi s SER 10 CO 0.01 -2.49 1.62 -0.81 0.98 0.00 0.00 173.24 172.56 1nzi n PRO 11 N -2.99 2.59 -0.91 4.02 -0.04 -1.26 -1.33 135.00 135.08 1nzi n PRO 11 Ca 0.14 0.93 0.00 0.00 -0.04 0.00 0.00 63.50 64.53 1nzi n PRO 11 Cb 0.50 -2.72 0.00 0.00 -0.04 0.00 0.00 33.50 31.24 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 3.02 -1.61 -4.60 3.54 5.15 -1.26 -4.19 115.26 115.32 1nzi n ASN 12 Ca 0.13 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.67 1nzi n ASN 12 Cb 0.34 -1.01 -0.01 0.00 -0.53 0.00 0.00 39.78 38.58 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 -2.29 1.27 0.66 1.20 9.36 -0.44 -0.57 117.16 126.34 1nzi n TYR 13 Ca 0.00 0.65 0.05 0.00 3.32 0.00 0.00 57.90 61.92 1nzi n TYR 13 Cb 0.06 -2.25 0.16 0.00 -0.63 0.00 0.00 39.34 36.69 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 0.57 2.12 -2.52 2.98 -0.04 -1.26 -5.01 135.00 131.84 1nzi n PRO 14 Ca 0.09 -1.32 -0.24 0.00 -0.04 0.00 0.00 63.50 61.99 1nzi n PRO 14 Cb 0.34 -1.45 0.13 0.00 -0.04 0.00 0.00 33.50 32.48 1nzi n PRO 14 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1nzi n GLN 15 N 0.45 -0.21 -1.73 0.54 3.00 0.26 -4.85 117.38 114.84 1nzi n GLN 15 Ca 0.12 -2.67 -0.42 0.00 -0.01 0.00 0.00 57.00 54.01 1nzi n GLN 15 Cb 0.42 -0.72 -0.02 0.00 0.00 0.00 0.00 30.24 29.92 1nzi n GLN 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1nzi n ALA 16 N -2.98 2.30 -1.59 -1.58 0.00 -1.26 -4.55 120.51 110.86 1nzi n ALA 16 Ca -0.17 0.38 -0.33 0.00 0.00 0.00 0.00 53.44 53.32 1nzi n ALA 16 Cb 0.59 -2.43 0.03 0.00 0.00 0.00 0.00 19.45 17.64 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 0.06 2.77 0.89 0.00 -0.85 -0.74 -4.79 117.35 114.70 1nzi s TYR 17 Ca 0.66 1.53 -0.11 0.00 -0.52 0.00 0.00 57.07 58.63 1nzi s TYR 17 Cb -0.52 -3.11 0.13 0.00 0.38 0.00 0.00 41.96 38.83 1nzi s TYR 17 CO 0.48 -1.45 1.11 -2.14 -1.52 0.00 0.00 175.55 172.02 1nzi s PRO 18 N -4.05 1.27 0.16 -3.49 0.02 -1.26 -4.84 135.00 122.82 1nzi s PRO 18 Ca 0.66 1.21 -0.18 0.00 0.02 0.00 0.00 61.00 62.71 1nzi s PRO 18 Cb -0.19 -1.78 -0.07 0.00 0.02 0.00 0.00 34.50 32.48 1nzi s PRO 18 CO 0.39 -2.35 0.63 -1.12 -0.33 0.00 0.00 177.00 174.23 1nzi s SER 19 N -3.04 6.99 -1.02 2.53 0.01 -1.26 -4.46 113.70 113.45 1nzi s SER 19 Ca 0.64 1.27 -0.12 0.00 1.31 0.00 0.00 55.95 59.06 1nzi s SER 19 Cb -0.20 -2.36 -0.02 0.00 0.21 0.00 0.00 66.02 63.64 1nzi s SER 19 CO 0.58 0.11 0.79 -0.62 0.41 0.00 0.00 173.24 174.51 1nzi n GLU 20 N 0.98 -1.52 -4.06 12.44 1.02 -1.07 -4.97 120.64 123.46 1nzi n GLU 20 Ca -0.05 0.77 -0.08 0.00 -0.02 0.00 0.00 57.16 57.78 1nzi n GLU 20 Cb 0.51 -4.67 -0.10 0.00 -0.02 0.00 0.00 31.44 27.16 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 -3.32 0.26 -0.03 2.62 -7.23 -0.73 -5.00 120.40 106.97 1nzi s VAL 21 Ca 0.35 -1.49 0.00 0.00 -1.81 0.00 0.00 61.98 59.04 1nzi s VAL 21 Cb -0.10 -1.07 0.03 0.00 0.56 0.00 0.00 36.38 35.80 1nzi s VAL 21 CO 0.81 -0.79 -0.00 -0.70 -0.31 0.00 0.00 175.10 174.12 1nzi s GLU 22 N -2.97 0.30 0.02 4.82 2.12 -1.26 -1.01 118.70 120.73 1nzi s GLU 22 Ca -0.01 0.07 0.03 0.00 0.36 0.00 0.00 54.97 55.42 1nzi s GLU 22 Cb 0.01 -0.47 -0.02 0.00 0.26 0.00 0.00 34.13 33.91 1nzi s GLU 22 CO -0.06 -0.13 -0.09 0.21 -0.54 0.00 0.00 175.26 174.65 1nzi s LYS 23 N 0.99 0.65 0.06 4.30 2.20 -0.24 -5.00 119.74 122.70 1nzi s LYS 23 Ca -0.10 -0.56 0.06 0.00 -0.36 0.00 0.00 55.97 55.01 1nzi s LYS 23 Cb -0.13 -0.57 -0.03 0.00 -1.51 0.00 0.00 37.83 35.59 1nzi s LYS 23 CO -0.02 0.14 -0.17 0.45 -0.36 0.00 0.00 175.35 175.40 1nzi s SER 24 N -0.92 1.97 -0.03 1.43 0.15 -1.26 -0.25 113.70 114.80 1nzi s SER 24 Ca -0.02 -0.54 0.02 0.00 0.70 0.00 0.00 55.95 56.11 1nzi s SER 24 Cb -0.07 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 1nzi s SER 24 CO 0.00 0.04 -0.09 0.26 1.20 0.00 0.00 173.24 174.65 1nzi s TRP 25 N -0.98 1.00 -0.24 3.44 0.51 0.05 -4.99 118.94 117.72 1nzi s TRP 25 Ca 0.03 -0.26 -0.08 0.00 -2.12 0.00 0.00 56.10 53.67 1nzi s TRP 25 Cb -0.09 -0.72 -0.03 0.00 -0.81 0.00 0.00 33.47 31.82 1nzi s TRP 25 CO 0.02 -0.11 0.08 -0.51 -0.51 0.00 0.00 176.95 175.91 1nzi s ASP 26 N 0.24 5.28 -0.18 2.95 1.01 -1.26 -1.22 116.67 123.49 1nzi s ASP 26 Ca -0.04 -0.15 -0.09 0.00 0.71 0.00 0.00 52.55 52.99 1nzi s ASP 26 Cb -0.09 -1.94 -0.05 0.00 1.01 0.00 0.00 42.92 41.85 1nzi s ASP 26 CO 0.01 -0.00 0.11 -0.63 0.21 0.00 0.00 175.17 174.86 1nzi s ILE 27 N 1.44 5.23 -0.05 0.77 1.01 0.93 -4.98 121.20 125.55 1nzi s ILE 27 Ca 0.06 0.12 -0.02 0.00 0.00 0.00 0.00 60.65 60.81 1nzi s ILE 27 Cb -0.15 -3.36 0.03 0.00 0.01 0.00 0.00 42.46 39.00 1nzi s ILE 27 CO 0.04 0.48 0.10 -0.70 0.00 0.00 0.00 174.94 174.85 1nzi s GLU 28 N 0.13 0.03 0.36 2.79 2.12 -1.26 -1.43 118.70 121.44 1nzi s GLU 28 Ca 0.08 0.29 0.08 0.00 0.36 0.00 0.00 54.97 55.78 1nzi s GLU 28 Cb -0.11 -0.21 -0.07 0.00 0.26 0.00 0.00 34.13 34.00 1nzi s GLU 28 CO -0.00 -0.17 -0.04 0.14 -0.54 0.00 0.00 175.26 174.65 1nzi s VAL 29 N 1.13 2.03 0.84 3.70 -7.23 -0.33 -1.00 120.40 119.54 1nzi s VAL 29 Ca -0.09 -2.11 -0.10 0.00 -1.81 0.00 0.00 61.98 57.87 1nzi s VAL 29 Cb -0.12 -2.77 0.10 0.00 0.56 0.00 0.00 36.38 34.15 1nzi s VAL 29 CO -0.05 -0.12 1.12 -2.84 -0.31 0.00 0.00 175.10 172.91 1nzi s PRO 30 N -3.68 1.63 0.54 4.82 0.02 -1.26 -4.79 135.00 132.28 1nzi s PRO 30 Ca 0.33 1.38 -0.22 0.00 0.02 0.00 0.00 61.00 62.52 1nzi s PRO 30 Cb 0.06 -1.81 -0.05 0.00 0.02 0.00 0.00 34.50 32.72 1nzi s PRO 30 CO 0.17 -2.15 1.32 -1.21 -0.33 0.00 0.00 177.00 174.79 1nzi s GLU 31 N -4.74 3.22 0.00 5.54 0.41 -1.26 -2.35 118.70 119.52 1nzi s GLU 31 Ca 0.64 2.13 0.00 0.00 -0.41 0.00 0.00 54.97 57.33 1nzi s GLU 31 Cb -0.20 -2.25 0.00 0.00 -1.78 0.00 0.00 34.13 29.89 1nzi s GLU 31 CO 0.56 -1.09 0.00 0.41 -0.49 0.00 0.00 175.26 174.65 1nzi n GLY 32 N 0.67 0.44 3.21 -1.39 0.00 -1.26 -4.93 105.19 101.93 1nzi n GLY 32 Ca 0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.15 1.27 0.13 1.61 2.02 -0.99 -2.16 117.35 117.08 1nzi s TYR 33 Ca 0.00 -0.58 0.01 0.00 -0.37 0.00 0.00 57.07 56.13 1nzi s TYR 33 Cb 0.00 -0.67 0.01 0.00 -0.40 0.00 0.00 41.96 40.90 1nzi s TYR 33 CO 0.00 0.09 0.11 0.41 -1.57 0.00 0.00 175.55 174.59 1nzi n GLY 34 N 0.59 2.77 2.97 0.71 0.00 0.17 -3.63 105.19 108.77 1nzi n GLY 34 Ca -0.16 -2.19 -0.23 0.00 0.00 0.00 0.00 46.02 43.44 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 -0.47 0.90 -0.30 -0.61 1.01 -0.22 -0.96 121.20 120.54 1nzi s ILE 35 Ca 0.09 -0.33 -0.07 0.00 0.00 0.00 0.00 60.65 60.33 1nzi s ILE 35 Cb -0.01 -0.85 0.00 0.00 0.01 0.00 0.00 42.46 41.62 1nzi s ILE 35 CO 0.05 0.30 0.10 -2.28 0.00 0.00 0.00 174.94 173.11 1nzi s HIS 36 N 0.80 3.15 -0.16 3.97 5.65 -0.35 -1.11 115.29 127.24 1nzi s HIS 36 Ca -0.12 -0.88 -0.02 0.00 0.25 0.00 0.00 55.06 54.28 1nzi s HIS 36 Cb -0.15 -2.28 -0.01 0.00 -1.18 0.00 0.00 32.58 28.96 1nzi s HIS 36 CO 0.02 -0.55 -0.09 -1.17 -0.65 0.00 0.00 174.74 172.30 1nzi s LEU 37 N 1.53 2.86 0.01 8.88 2.96 -0.04 -1.15 118.68 133.72 1nzi s LEU 37 Ca 0.03 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.64 1nzi s LEU 37 Cb -0.17 -1.68 -0.01 0.00 0.50 0.00 0.00 46.19 44.83 1nzi s LEU 37 CO 0.03 0.11 -0.06 -0.72 -1.32 0.00 0.00 176.35 174.39 1nzi s TYR 38 N 0.70 0.49 -0.17 5.38 -0.85 0.35 -0.44 117.35 122.82 1nzi s TYR 38 Ca -0.04 -0.22 -0.08 0.00 -0.52 0.00 0.00 57.07 56.21 1nzi s TYR 38 Cb -0.15 -0.31 -0.04 0.00 0.38 0.00 0.00 41.96 41.84 1nzi s TYR 38 CO 0.02 -0.04 0.09 -0.06 -1.52 0.00 0.00 175.55 174.05 1nzi s PHE 39 N -0.54 3.36 -0.15 -3.49 0.40 0.11 -0.80 117.98 116.87 1nzi s PHE 39 Ca -0.02 0.25 -0.10 0.00 -0.60 0.00 0.00 56.93 56.46 1nzi s PHE 39 Cb -0.05 -2.05 -0.24 0.00 0.51 0.00 0.00 43.02 41.20 1nzi s PHE 39 CO -0.00 0.34 0.27 0.25 0.70 0.00 0.00 175.22 176.77 1nzi n THR 40 N 3.09 1.70 -4.50 0.64 -2.24 -0.20 -1.11 114.28 111.66 1nzi n THR 40 Ca -0.17 -0.50 -0.28 0.00 -2.27 0.00 0.00 64.05 60.83 1nzi n THR 40 Cb 0.53 -1.79 -0.17 0.00 -2.10 0.00 0.00 70.33 66.80 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 -2.51 1.84 -0.20 4.78 5.65 -1.18 -4.34 115.29 119.34 1nzi s HIS 41 Ca -0.25 -0.82 -0.05 0.00 0.25 0.00 0.00 55.06 54.19 1nzi s HIS 41 Cb 0.07 -1.34 0.07 0.00 -1.18 0.00 0.00 32.58 30.20 1nzi s HIS 41 CO 0.71 -0.42 0.09 -1.17 -0.65 0.00 0.00 174.74 173.30 1nzi s LEU 42 N 0.91 0.50 -0.42 8.88 2.96 -1.24 -2.32 118.68 127.95 1nzi s LEU 42 Ca -0.09 -0.77 0.06 0.00 -0.22 0.00 0.00 54.13 53.11 1nzi s LEU 42 Cb -0.15 -0.31 0.20 0.00 0.50 0.00 0.00 46.19 46.43 1nzi s LEU 42 CO 0.00 -0.36 0.45 -0.67 -1.32 0.00 0.00 176.35 174.45 1nzi n ASP 43 N 5.24 -0.63 -4.28 3.68 2.03 0.13 -1.46 116.55 121.26 1nzi n ASP 43 Ca -0.07 -2.55 -0.22 0.00 0.52 0.00 0.00 54.79 52.47 1nzi n ASP 43 Cb 0.47 -0.30 -0.12 0.00 -0.72 0.00 0.00 41.12 40.46 1nzi n ASP 43 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1nzi s ILE 44 N -0.23 1.61 0.22 5.18 1.01 0.13 -0.81 121.20 128.31 1nzi s ILE 44 Ca 0.33 -1.61 -0.30 0.00 0.00 0.00 0.00 60.65 59.07 1nzi s ILE 44 Cb 0.09 -1.55 -0.15 0.00 0.01 0.00 0.00 42.46 40.85 1nzi s ILE 44 CO -0.16 -0.17 1.00 1.21 0.00 0.00 0.00 174.94 176.81 1nzi n GLU 45 N 0.89 1.04 -3.43 2.79 2.13 -1.26 -1.70 120.64 121.10 1nzi n GLU 45 Ca -0.18 0.37 -0.37 0.00 0.66 0.00 0.00 57.16 57.64 1nzi n GLU 45 Cb 0.55 -1.74 -0.06 0.00 0.27 0.00 0.00 31.44 30.46 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 0.90 4.30 0.01 4.31 2.96 -1.26 -2.32 118.68 127.58 1nzi s LEU 46 Ca 0.66 0.73 -0.13 0.00 -0.22 0.00 0.00 54.13 55.17 1nzi s LEU 46 Cb -0.81 -2.56 0.02 0.00 0.50 0.00 0.00 46.19 43.34 1nzi s LEU 46 CO 0.56 0.10 0.28 -0.94 -1.32 0.00 0.00 176.35 175.03 1nzi s SER 47 N 0.25 -0.12 0.25 3.68 1.04 -1.26 -4.95 113.70 112.59 1nzi s SER 47 Ca 0.22 -0.07 -0.31 0.00 0.48 0.00 0.00 55.95 56.27 1nzi s SER 47 Cb -0.15 0.31 -0.11 0.00 0.10 0.00 0.00 66.02 66.18 1nzi s SER 47 CO 0.09 -0.50 1.57 -1.61 0.98 0.00 0.00 173.24 173.76 1nzi s GLU 48 N -1.82 4.17 -1.56 4.02 0.41 -1.26 -1.42 118.70 121.23 1nzi s GLU 48 Ca -0.10 2.48 0.00 0.00 -0.41 0.00 0.00 54.97 56.93 1nzi s GLU 48 Cb -0.04 -3.07 0.00 0.00 -1.78 0.00 0.00 34.13 29.24 1nzi s GLU 48 CO 0.01 -0.59 0.00 -1.71 -0.49 0.00 0.00 175.26 172.48 1nzi n ASN 49 N 2.79 -4.47 -4.18 -0.19 5.15 -1.26 -2.43 115.26 110.68 1nzi n ASN 49 Ca 0.10 0.27 -0.30 0.00 -0.60 0.00 0.00 54.58 54.05 1nzi n ASN 49 Cb 0.38 -3.92 -0.06 0.00 -0.53 0.00 0.00 39.78 35.65 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 0.83 1.08 -3.00 0.00 0.00 -1.68 -3.43 119.26 113.05 1nzi h ALA 51 Ca -0.64 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.03 1nzi h ALA 51 Cb 1.39 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1nzi h ALA 51 CO 0.70 0.33 0.00 0.66 0.00 0.00 0.00 179.25 180.94 1nzi n TYR 52 N -3.52 0.00 -2.01 0.00 4.01 -1.26 -4.99 117.16 109.39 1nzi n TYR 52 Ca -0.00 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.36 1nzi n TYR 52 Cb 0.42 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.47 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 5.58 0.05 7.72 1.11 -1.26 -4.77 116.67 124.10 1nzi s ASP 53 Ca 0.00 2.50 -0.28 0.00 0.18 0.00 0.00 52.55 54.96 1nzi s ASP 53 Cb 0.00 -2.61 0.09 0.00 1.07 0.00 0.00 42.92 41.47 1nzi s ASP 53 CO 0.00 -1.34 0.98 -0.94 1.18 0.00 0.00 175.17 175.05 1nzi s SER 54 N -1.26 -0.24 -0.16 0.27 1.04 -0.57 -4.79 113.70 108.00 1nzi s SER 54 Ca 0.70 -0.19 0.01 0.00 0.48 0.00 0.00 55.95 56.95 1nzi s SER 54 Cb -0.34 0.39 0.02 0.00 0.10 0.00 0.00 66.02 66.20 1nzi s SER 54 CO 0.39 -0.68 -0.16 0.68 0.98 0.00 0.00 173.24 174.45 1nzi s VAL 55 N -3.07 1.71 -0.06 5.02 -7.23 -0.23 -1.07 120.40 115.46 1nzi s VAL 55 Ca 0.09 -0.72 0.00 0.00 -1.81 0.00 0.00 61.98 59.55 1nzi s VAL 55 Cb -0.01 -1.58 -0.03 0.00 0.56 0.00 0.00 36.38 35.32 1nzi s VAL 55 CO -0.03 0.48 -0.05 -1.58 -0.31 0.00 0.00 175.10 173.61 1nzi s GLN 56 N 1.43 2.79 -0.20 4.82 0.74 0.60 -0.66 119.66 129.19 1nzi s GLN 56 Ca 0.05 -0.53 -0.01 0.00 0.05 0.00 0.00 55.36 54.92 1nzi s GLN 56 Cb -0.13 -2.63 0.01 0.00 1.10 0.00 0.00 33.01 31.35 1nzi s GLN 56 CO -0.11 0.67 -0.12 0.42 -0.55 0.00 0.00 175.29 175.59 1nzi s ILE 57 N -0.85 2.70 0.02 -2.34 1.09 0.21 -0.86 121.20 121.17 1nzi s ILE 57 Ca 0.13 -0.72 0.07 0.00 -1.10 0.00 0.00 60.65 59.03 1nzi s ILE 57 Cb -0.11 -2.19 -0.02 0.00 -1.06 0.00 0.00 42.46 39.08 1nzi s ILE 57 CO 0.02 0.48 -0.20 -0.63 -0.10 0.00 0.00 174.94 174.52 1nzi s ILE 58 N 1.34 1.58 0.00 2.92 1.01 0.27 0.37 121.20 128.69 1nzi s ILE 58 Ca 0.05 -1.05 0.00 0.00 0.00 0.00 0.00 60.65 59.65 1nzi s ILE 58 Cb -0.14 -1.35 0.00 0.00 0.01 0.00 0.00 42.46 40.98 1nzi s ILE 58 CO -0.08 0.28 0.00 -1.54 0.00 0.00 0.00 174.94 173.60 1nzi n SER 59 N 2.14 3.40 -4.62 3.58 3.41 -1.26 -0.49 113.62 119.78 1nzi n SER 59 Ca -0.16 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.03 1nzi n SER 59 Cb 0.53 0.28 -0.05 0.00 -0.26 0.00 0.00 64.21 64.72 1nzi n SER 59 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1nzi s GLU 63 N -1.71 4.05 0.12 4.33 2.12 -1.26 -5.07 118.70 121.27 1nzi s GLU 63 Ca 0.00 0.72 0.02 0.00 0.36 0.00 0.00 54.97 56.07 1nzi s GLU 63 Cb 0.00 -3.70 -0.19 0.00 0.26 0.00 0.00 34.13 30.50 1nzi s GLU 63 CO 0.00 -0.62 1.26 0.93 -0.54 0.00 0.00 175.26 176.28 1nzi h GLU 64 N 7.97 0.13 -1.29 4.30 4.39 -0.43 -3.49 114.58 126.15 1nzi h GLU 64 Ca -0.24 -0.20 0.33 0.00 0.34 0.00 0.00 59.36 59.59 1nzi h GLU 64 Cb 1.10 0.07 -0.15 0.00 -0.10 0.00 0.00 28.75 29.67 1nzi h GLU 64 CO 0.88 1.06 0.89 0.20 -1.16 0.00 0.00 179.01 180.88 1nzi s GLY 65 N -4.65 -0.39 -0.11 -3.84 0.00 -0.99 -4.98 107.32 92.35 1nzi s GLY 65 Ca -0.01 1.07 -0.06 0.00 0.00 0.00 0.00 44.72 45.71 1nzi s GLY 65 CO 0.84 0.27 0.27 1.09 0.00 0.00 0.00 173.10 175.57 1nzi s ARG 66 N -2.28 0.24 0.15 2.90 1.70 -1.26 -0.62 118.95 119.78 1nzi s ARG 66 Ca 0.13 0.55 0.07 0.00 -0.47 0.00 0.00 55.73 56.01 1nzi s ARG 66 Cb 0.04 -0.08 -0.04 0.00 -0.57 0.00 0.00 34.95 34.30 1nzi s ARG 66 CO -0.05 -0.15 -0.16 -0.51 -1.08 0.00 0.00 175.30 173.35 1nzi s LEU 67 N 1.17 2.43 0.00 -1.89 1.43 0.17 -4.95 118.68 117.03 1nzi s LEU 67 Ca -0.08 -0.84 -0.09 0.00 -1.03 0.00 0.00 54.13 52.08 1nzi s LEU 67 Cb -0.09 -0.70 0.03 0.00 0.03 0.00 0.00 46.19 45.46 1nzi s LEU 67 CO -0.08 -0.09 0.44 0.00 0.23 0.00 0.00 176.35 176.85 1nzi n GLY 69 N -0.31 -2.67 3.03 0.00 0.00 -0.69 -4.86 105.19 99.70 1nzi n GLY 69 Ca -0.02 -1.69 -0.31 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.75 2.39 -0.00 1.61 1.11 -1.24 -0.70 119.66 122.08 1nzi s GLN 70 Ca 0.00 -0.64 -0.16 0.00 0.01 0.00 0.00 55.36 54.57 1nzi s GLN 70 Cb 0.00 -2.23 0.03 0.00 -1.01 0.00 0.00 33.01 29.80 1nzi s GLN 70 CO 0.00 -0.26 0.34 -0.98 0.01 0.00 0.00 175.29 174.40 1nzi s ARG 71 N 1.44 0.73 0.22 2.91 1.70 -0.54 -5.00 118.95 120.42 1nzi s ARG 71 Ca 0.04 -0.22 0.00 0.00 -0.47 0.00 0.00 55.73 55.09 1nzi s ARG 71 Cb -0.13 0.33 -0.04 0.00 -0.57 0.00 0.00 34.95 34.53 1nzi s ARG 71 CO -0.11 -0.21 0.11 -1.54 -1.08 0.00 0.00 175.30 172.47 1nzi s SER 72 N -1.47 0.63 0.05 -2.89 1.04 -1.26 -3.60 113.70 106.20 1nzi s SER 72 Ca -0.12 -1.38 0.07 0.00 0.48 0.00 0.00 55.95 55.01 1nzi s SER 72 Cb -0.04 0.28 -0.03 0.00 0.10 0.00 0.00 66.02 66.33 1nzi s SER 72 CO 0.03 -0.78 -0.20 -0.55 0.98 0.00 0.00 173.24 172.72 1nzi s SER 73 N -3.22 2.42 0.00 7.02 0.15 -1.26 -4.96 113.70 113.85 1nzi s SER 73 Ca 0.38 -0.53 0.23 0.00 0.70 0.00 0.00 55.95 56.72 1nzi s SER 73 Cb 0.07 -0.19 0.47 0.00 -1.71 0.00 0.00 66.02 64.66 1nzi s SER 73 CO 0.12 0.14 1.42 0.59 1.20 0.00 0.00 173.24 176.71 1nzi n ASN 74 N 1.78 3.04 -4.63 5.45 3.02 -1.26 -4.89 115.26 117.75 1nzi n ASN 74 Ca -0.17 -1.93 -0.43 0.00 -0.03 0.00 0.00 54.58 52.01 1nzi n ASN 74 Cb 0.53 -0.19 -0.03 0.00 -0.61 0.00 0.00 39.78 39.49 1nzi n ASN 74 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1nzi s ASN 75 N -1.57 6.31 0.29 6.41 3.84 -1.26 -4.90 114.94 124.06 1nzi s ASN 75 Ca 0.36 1.90 -0.02 0.00 0.21 0.00 0.00 52.86 55.31 1nzi s ASN 75 Cb 0.21 -2.53 0.44 0.00 -0.55 0.00 0.00 41.25 38.83 1nzi s ASN 75 CO 0.30 -1.27 1.96 1.55 -2.79 0.00 0.00 177.10 176.85 1nzi h PRO 76 N 11.09 1.10 -0.00 0.43 0.13 -2.02 -3.24 132.00 139.49 1nzi h PRO 76 Ca -0.38 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1nzi h PRO 76 Cb 1.18 -0.25 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1nzi h PRO 76 CO 0.98 0.73 -0.08 0.72 -0.23 0.00 0.00 178.00 180.11 1nzi n HIS 77 N -4.42 0.00 -3.10 1.56 8.25 -1.26 -4.80 115.22 111.46 1nzi n HIS 77 Ca 0.10 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.39 1nzi n HIS 77 Cb 0.05 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.15 1nzi n HIS 77 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1nzi n SER 78 N -0.53 0.04 -4.66 0.41 2.88 -1.25 -5.10 113.62 105.42 1nzi n SER 78 Ca 0.01 -3.08 -0.43 0.00 -1.33 0.00 0.00 58.87 54.04 1nzi n SER 78 Cb 0.07 -0.10 -0.03 0.00 -0.75 0.00 0.00 64.21 63.40 1nzi n SER 78 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1nzi s PRO 79 N -1.65 4.16 -0.09 -1.46 0.04 -1.22 -4.83 135.00 129.95 1nzi s PRO 79 Ca 0.36 1.99 -0.03 0.00 0.04 0.00 0.00 61.00 63.36 1nzi s PRO 79 Cb 0.31 -3.93 0.04 0.00 0.04 0.00 0.00 34.50 30.96 1nzi s PRO 79 CO -0.09 -0.85 0.09 0.42 0.04 0.00 0.00 177.00 176.61 1nzi s ILE 80 N 3.99 -0.13 -0.12 0.56 1.01 -1.26 -4.32 121.20 120.92 1nzi s ILE 80 Ca 0.68 0.24 0.20 0.00 0.00 0.00 0.00 60.65 61.77 1nzi s ILE 80 Cb -0.29 -0.30 -0.28 0.00 0.01 0.00 0.00 42.46 41.59 1nzi s ILE 80 CO 0.25 0.04 0.29 1.33 0.00 0.00 0.00 174.94 176.85 1nzi n VAL 81 N 5.30 0.75 -3.70 2.92 0.24 -0.27 -4.90 118.33 118.68 1nzi n VAL 81 Ca -0.04 -0.69 -0.14 0.00 -2.04 0.00 0.00 64.34 61.42 1nzi n VAL 81 Cb 0.50 -0.27 -0.08 0.00 -1.47 0.00 0.00 33.84 32.52 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 -2.97 0.71 0.12 7.34 0.41 -1.24 -5.02 118.70 118.04 1nzi s GLU 82 Ca -0.09 0.16 -0.18 0.00 -0.41 0.00 0.00 54.97 54.46 1nzi s GLU 82 Cb 0.10 0.33 0.04 0.00 -1.78 0.00 0.00 34.13 32.81 1nzi s GLU 82 CO 0.86 -0.18 0.43 -1.83 -0.49 0.00 0.00 175.26 174.06 1nzi s GLU 83 N -0.80 1.08 0.01 1.61 -1.05 -1.26 -0.71 118.70 117.58 1nzi s GLU 83 Ca -0.09 -0.62 0.00 0.00 -0.15 0.00 0.00 54.97 54.12 1nzi s GLU 83 Cb -0.03 0.48 -0.01 0.00 -0.44 0.00 0.00 34.13 34.13 1nzi s GLU 83 CO 0.04 -0.42 -0.02 -0.06 0.95 0.00 0.00 175.26 175.75 1nzi s PHE 84 N -3.59 0.16 -0.16 4.83 0.08 0.42 -5.00 117.98 114.71 1nzi s PHE 84 Ca 0.01 -0.21 -0.00 0.00 0.12 0.00 0.00 56.93 56.85 1nzi s PHE 84 Cb 0.01 -0.11 0.04 0.00 -0.57 0.00 0.00 43.02 42.39 1nzi s PHE 84 CO -0.11 -0.07 -0.06 -1.14 -0.10 0.00 0.00 175.22 173.75 1nzi s GLN 85 N -0.59 1.45 -0.00 0.44 2.00 -1.26 -0.86 119.66 120.84 1nzi s GLN 85 Ca -0.06 -0.48 0.08 0.00 -2.00 0.00 0.00 55.36 52.90 1nzi s GLN 85 Cb -0.04 -1.95 -0.02 0.00 0.80 0.00 0.00 33.01 31.79 1nzi s GLN 85 CO -0.00 -0.41 -0.25 0.14 -0.50 0.00 0.00 175.29 174.27 1nzi s VAL 86 N 1.64 2.00 -1.50 1.34 -7.23 -0.27 -5.00 120.40 111.39 1nzi s VAL 86 Ca 0.01 -1.15 0.00 0.00 -1.81 0.00 0.00 61.98 59.04 1nzi s VAL 86 Cb -0.15 -1.68 0.02 0.00 0.56 0.00 0.00 36.38 35.13 1nzi s VAL 86 CO -0.08 0.50 0.77 -0.81 -0.31 0.00 0.00 175.10 175.18 1nzi n PRO 87 N 2.28 1.06 -4.17 4.82 -0.04 -1.26 -1.06 135.00 136.63 1nzi n PRO 87 Ca -0.16 -0.06 -0.23 0.00 -0.04 0.00 0.00 63.50 63.00 1nzi n PRO 87 Cb 0.52 -1.26 -0.06 0.00 -0.04 0.00 0.00 33.50 32.65 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 -1.52 2.73 -2.07 0.54 1.51 -1.26 -4.69 117.35 112.59 1nzi s TYR 88 Ca 0.01 -0.31 0.22 0.00 -1.01 0.00 0.00 57.07 55.98 1nzi s TYR 88 Cb 0.01 -1.46 0.59 0.00 -0.11 0.00 0.00 41.96 40.99 1nzi s TYR 88 CO 0.01 0.45 1.50 0.27 -1.11 0.00 0.00 175.55 176.67 1nzi n ASN 89 N -1.06 3.68 -3.91 2.29 6.94 -1.24 -3.30 115.26 118.67 1nzi n ASN 89 Ca -0.05 -2.00 -0.13 0.00 -0.02 0.00 0.00 54.58 52.39 1nzi n ASN 89 Cb 0.60 -0.43 -0.14 0.00 -2.36 0.00 0.00 39.78 37.45 1nzi n ASN 89 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1nzi s LYS 90 N -1.13 0.17 0.02 -3.83 1.02 -1.26 -1.19 119.74 113.55 1nzi s LYS 90 Ca 0.46 -0.12 -0.11 0.00 0.02 0.00 0.00 55.97 56.22 1nzi s LYS 90 Cb 0.24 -0.14 0.01 0.00 -0.52 0.00 0.00 37.83 37.42 1nzi s LYS 90 CO 0.32 0.04 0.22 -0.51 -0.92 0.00 0.00 175.35 174.49 1nzi s LEU 91 N -0.18 1.24 -0.03 3.17 1.43 -0.52 -4.84 118.68 118.96 1nzi s LEU 91 Ca -0.01 -0.23 0.07 0.00 -1.03 0.00 0.00 54.13 52.94 1nzi s LEU 91 Cb -0.02 1.01 -0.02 0.00 0.03 0.00 0.00 46.19 47.20 1nzi s LEU 91 CO -0.00 -0.51 -0.25 -1.58 0.23 0.00 0.00 176.35 174.24 1nzi s GLN 92 N -2.10 2.14 -0.08 1.70 0.74 0.36 -0.05 119.66 122.38 1nzi s GLN 92 Ca -0.09 -0.90 0.05 0.00 0.05 0.00 0.00 55.36 54.47 1nzi s GLN 92 Cb -0.03 -2.01 -0.00 0.00 1.10 0.00 0.00 33.01 32.07 1nzi s GLN 92 CO -0.01 0.51 -0.23 0.08 -0.55 0.00 0.00 175.29 175.09 1nzi s VAL 93 N -0.50 1.92 -0.10 1.34 1.01 -0.35 -0.57 120.40 123.15 1nzi s VAL 93 Ca 0.07 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.10 1nzi s VAL 93 Cb -0.11 -1.65 0.02 0.00 0.00 0.00 0.00 36.38 34.64 1nzi s VAL 93 CO -0.00 0.53 -0.13 -0.63 0.00 0.00 0.00 175.10 174.87 1nzi s ILE 94 N 0.16 1.31 -0.14 2.22 1.01 -0.03 -0.77 121.20 124.96 1nzi s ILE 94 Ca -0.12 -0.53 -0.03 0.00 0.00 0.00 0.00 60.65 59.97 1nzi s ILE 94 Cb -0.16 -1.22 -0.03 0.00 0.01 0.00 0.00 42.46 41.06 1nzi s ILE 94 CO 0.06 0.40 -0.03 0.12 0.00 0.00 0.00 174.94 175.50 1nzi s PHE 95 N 1.03 3.06 -0.05 3.97 5.36 0.66 -0.29 117.98 131.72 1nzi s PHE 95 Ca -0.07 -0.15 0.03 0.00 -0.96 0.00 0.00 56.93 55.78 1nzi s PHE 95 Cb -0.15 -1.92 0.01 0.00 -0.34 0.00 0.00 43.02 40.62 1nzi s PHE 95 CO -0.01 0.10 -0.12 0.15 -1.46 0.00 0.00 175.22 173.88 1nzi s LYS 96 N 0.04 1.46 -0.17 10.12 1.02 -0.23 -1.08 119.74 130.90 1nzi s LYS 96 Ca 0.01 -0.42 0.01 0.00 0.02 0.00 0.00 55.97 55.59 1nzi s LYS 96 Cb -0.13 -1.27 0.03 0.00 -0.52 0.00 0.00 37.83 35.94 1nzi s LYS 96 CO 0.02 0.11 -0.14 0.45 -0.92 0.00 0.00 175.35 174.88 1nzi s SER 97 N 0.36 3.00 0.13 2.83 0.15 -0.18 -1.52 113.70 118.48 1nzi s SER 97 Ca -0.08 -0.65 0.09 0.00 0.70 0.00 0.00 55.95 56.01 1nzi s SER 97 Cb -0.12 -1.24 -0.04 0.00 -1.71 0.00 0.00 66.02 62.91 1nzi s SER 97 CO 0.02 -0.08 -0.17 1.51 1.20 0.00 0.00 173.24 175.72 1nzi s ASP 98 N 1.43 3.93 0.92 5.45 1.47 -1.26 -1.78 116.67 126.82 1nzi s ASP 98 Ca 0.03 -0.58 0.00 0.00 1.18 0.00 0.00 52.55 53.18 1nzi s ASP 98 Cb -0.14 -0.56 0.00 0.00 -0.34 0.00 0.00 42.92 41.88 1nzi s ASP 98 CO -0.10 0.16 0.00 0.49 0.68 0.00 0.00 175.17 176.40 1nzi n PHE 99 N 0.62 -0.53 -3.31 2.11 3.72 -1.26 -4.65 117.46 114.16 1nzi n PHE 99 Ca -0.14 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 56.88 1nzi n PHE 99 Cb 0.53 0.14 -0.06 0.00 -0.94 0.00 0.00 39.48 39.16 1nzi n PHE 99 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1nzi s SER 100 N -4.00 6.97 -1.17 4.37 0.01 -1.26 -2.59 113.70 116.04 1nzi s SER 100 Ca 0.00 1.19 -0.07 0.00 1.31 0.00 0.00 55.95 58.39 1nzi s SER 100 Cb 0.00 -2.33 0.25 0.00 0.21 0.00 0.00 66.02 64.14 1nzi s SER 100 CO 0.00 0.21 1.65 -3.20 0.41 0.00 0.00 173.24 172.31 1nzi n ASN 101 N 1.37 5.82 0.23 2.44 5.15 -1.26 -4.77 115.26 124.25 1nzi n ASN 101 Ca -0.08 -3.27 0.10 0.00 -0.60 0.00 0.00 54.58 50.72 1nzi n ASN 101 Cb 0.51 -1.37 0.57 0.00 -0.53 0.00 0.00 39.78 38.96 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 5.61 0.00 -0.01 1.20 5.08 -1.98 -2.38 114.58 122.11 1nzi h GLU 102 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1nzi h GLU 102 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1nzi h GLU 102 CO 1.46 0.21 -0.11 0.39 -1.00 0.00 0.00 179.01 179.96 1nzi n GLU 103 N -3.65 0.92 -3.55 2.33 -0.58 -1.26 -4.94 120.64 109.91 1nzi n GLU 103 Ca -0.01 -0.39 -0.23 0.00 -0.42 0.00 0.00 57.16 56.12 1nzi n GLU 103 Cb 0.33 -1.49 0.08 0.00 -0.57 0.00 0.00 31.44 29.79 1nzi n GLU 103 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1nzi n ARG 104 N -0.70 -7.61 -1.86 3.49 5.12 -0.90 -4.95 116.66 109.25 1nzi n ARG 104 Ca 0.16 0.80 -0.39 0.00 -1.93 0.00 0.00 57.85 56.48 1nzi n ARG 104 Cb 0.29 -5.77 0.02 0.00 -1.16 0.00 0.00 32.46 25.84 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 -3.31 2.51 -2.09 -1.55 0.08 -1.26 -4.54 117.98 107.82 1nzi s PHE 105 Ca 0.52 1.32 0.23 0.00 0.12 0.00 0.00 56.93 59.12 1nzi s PHE 105 Cb -0.23 -3.84 0.61 0.00 -0.57 0.00 0.00 43.02 38.99 1nzi s PHE 105 CO 0.70 -2.73 1.52 0.25 -0.10 0.00 0.00 175.22 174.87 1nzi n THR 106 N -0.27 0.90 0.00 0.64 -2.24 -1.05 -1.78 114.28 110.48 1nzi n THR 106 Ca 0.06 -0.95 0.00 0.00 -2.27 0.00 0.00 64.05 60.89 1nzi n THR 106 Cb 0.43 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 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 1.64 0.59 3.61 3.38 0.00 0.00 -4.65 105.19 109.76 1nzi n GLY 107 Ca 0.24 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.23 -0.04 1.61 -0.71 -1.26 0.19 117.98 117.54 1nzi s PHE 108 Ca 0.00 -0.12 0.01 0.00 -1.04 0.00 0.00 56.93 55.78 1nzi s PHE 108 Cb 0.00 0.53 0.02 0.00 -1.21 0.00 0.00 43.02 42.35 1nzi s PHE 108 CO 0.00 -1.01 -0.06 0.00 -1.34 0.00 0.00 175.22 172.81 1nzi s ALA 109 N -3.86 0.72 0.05 1.99 0.00 -0.98 -1.94 121.76 117.73 1nzi s ALA 109 Ca 0.08 -0.12 -0.00 0.00 0.00 0.00 0.00 51.96 51.92 1nzi s ALA 109 Cb -0.03 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 1nzi s ALA 109 CO -0.02 0.04 -0.04 0.00 0.00 0.00 0.00 175.76 175.74 1nzi s ALA 110 N 0.69 0.49 0.07 0.00 0.00 -0.00 -1.03 121.76 121.98 1nzi s ALA 110 Ca -0.10 -1.06 0.03 0.00 0.00 0.00 0.00 51.96 50.83 1nzi s ALA 110 Cb -0.13 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.17 1nzi s ALA 110 CO 0.01 -0.28 -0.09 0.71 0.00 0.00 0.00 175.76 176.10 1nzi s TYR 111 N -3.15 0.90 0.05 0.00 2.02 0.02 -0.52 117.35 116.67 1nzi s TYR 111 Ca 0.01 -0.63 0.03 0.00 -0.37 0.00 0.00 57.07 56.11 1nzi s TYR 111 Cb 0.02 -0.51 -0.02 0.00 -0.40 0.00 0.00 41.96 41.05 1nzi s TYR 111 CO -0.07 -0.05 -0.09 1.52 -1.57 0.00 0.00 175.55 175.29 1nzi s TYR 112 N -2.16 0.77 -0.00 2.71 1.13 -0.57 -0.50 117.35 118.73 1nzi s TYR 112 Ca 0.00 -0.48 -0.00 0.00 -1.41 0.00 0.00 57.07 55.18 1nzi s TYR 112 Cb -0.05 -0.46 -0.00 0.00 -1.10 0.00 0.00 41.96 40.36 1nzi s TYR 112 CO -0.01 -0.05 0.01 0.14 -2.51 0.00 0.00 175.55 173.13 1nzi s VAL 113 N -1.31 0.02 0.37 -3.49 -7.23 -0.30 -1.27 120.40 107.19 1nzi s VAL 113 Ca -0.08 -0.16 -0.27 0.00 -1.81 0.00 0.00 61.98 59.66 1nzi s VAL 113 Cb -0.10 -0.07 -0.09 0.00 0.56 0.00 0.00 36.38 36.68 1nzi s VAL 113 CO 0.01 -0.09 1.19 0.00 -0.31 0.00 0.00 175.10 175.90 1nzi s ALA 114 N -0.25 3.27 0.00 1.32 0.00 -0.19 -1.22 121.76 124.69 1nzi s ALA 114 Ca -0.03 1.02 0.07 0.00 0.00 0.00 0.00 51.96 53.02 1nzi s ALA 114 Cb -0.02 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 1nzi s ALA 114 CO -0.00 -0.50 -0.21 0.95 0.00 0.00 0.00 175.76 176.01 1nzi s THR 115 N -1.31 1.63 0.31 0.00 -4.23 -0.14 -4.88 115.64 107.01 1nzi s THR 115 Ca 0.53 -0.97 -0.29 0.00 -1.18 0.00 0.00 61.69 59.79 1nzi s THR 115 Cb -0.33 -1.37 -0.10 0.00 1.34 0.00 0.00 72.50 72.04 1nzi s THR 115 CO 0.42 0.38 1.29 -0.62 -0.54 0.00 0.00 174.62 175.55 1nzi s ASP 116 N -0.68 6.85 -0.07 3.99 2.15 -1.26 0.43 116.67 128.07 1nzi s ASP 116 Ca 0.08 2.60 -0.18 0.00 0.43 0.00 0.00 52.55 55.48 1nzi s ASP 116 Cb -0.08 -2.64 -0.05 0.00 -0.30 0.00 0.00 42.92 39.85 1nzi s ASP 116 CO -0.00 -0.49 0.48 -0.63 -0.17 0.00 0.00 175.17 174.36 1nzi s ILE 117 N -0.94 5.10 -0.71 4.11 -1.09 -0.92 -4.72 121.20 122.03 1nzi s ILE 117 Ca 0.50 0.97 -0.18 0.00 -2.23 0.00 0.00 60.65 59.70 1nzi s ILE 117 Cb -0.38 -3.81 0.13 0.00 -1.58 0.00 0.00 42.46 36.82 1nzi s ILE 117 CO 0.49 0.40 0.82 0.21 -1.23 0.00 0.00 174.94 175.64 1nzi s ASN 118 N 0.09 6.38 0.58 3.58 3.84 -1.26 -4.81 114.94 123.35 1nzi s ASN 118 Ca 0.26 -1.77 0.32 0.00 0.21 0.00 0.00 52.86 51.89 1nzi s ASN 118 Cb -0.16 -2.31 1.82 0.00 -0.55 0.00 0.00 41.25 40.05 1nzi s ASN 118 CO 0.12 -1.03 2.21 -0.33 -2.79 0.00 0.00 177.10 175.28 1nzi h GLU 119 N 8.88 0.00 -0.00 0.43 3.07 -1.94 -2.55 114.58 122.47 1nzi h GLU 119 Ca -0.12 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.60 1nzi h GLU 119 Cb 1.06 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.95 1nzi h GLU 119 CO 1.05 0.04 -0.66 0.00 -1.40 0.00 0.00 179.01 178.03 1nzi n THR 121 N -3.76 0.09 -3.62 0.00 -2.24 -0.98 -4.94 114.28 98.84 1nzi n THR 121 Ca -0.01 -0.55 -0.23 0.00 -2.27 0.00 0.00 64.05 60.99 1nzi n THR 121 Cb 0.65 1.27 -0.17 0.00 -2.10 0.00 0.00 70.33 69.98 1nzi n THR 121 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1nzi s ASP 122 N -1.34 1.87 -0.56 3.42 1.01 -1.10 -5.10 116.67 114.86 1nzi s ASP 122 Ca 0.21 -0.35 0.06 0.00 0.71 0.00 0.00 52.55 53.18 1nzi s ASP 122 Cb 0.14 -0.12 0.32 0.00 1.01 0.00 0.00 42.92 44.27 1nzi s ASP 122 CO 0.21 -0.32 0.87 0.52 0.21 0.00 0.00 175.17 176.66 1nzi n VAL 124 N 5.29 2.41 -3.04 -1.27 0.31 -1.26 -5.02 118.33 115.75 1nzi n VAL 124 Ca -0.06 -5.34 -0.45 0.00 -0.01 0.00 0.00 64.34 58.49 1nzi n VAL 124 Cb 0.49 -1.43 -0.02 0.00 -0.91 0.00 0.00 33.84 31.97 1nzi n VAL 124 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1nzi s ASP 125 N -3.06 6.72 -0.27 4.52 1.01 -1.26 -4.99 116.67 119.34 1nzi s ASP 125 Ca 0.46 -2.34 -0.32 0.00 0.71 0.00 0.00 52.55 51.05 1nzi s ASP 125 Cb 0.26 -2.35 -0.14 0.00 1.01 0.00 0.00 42.92 41.70 1nzi s ASP 125 CO -0.10 -0.89 1.05 0.52 0.21 0.00 0.00 175.17 175.96 1nzi n VAL 126 N 4.94 0.00 1.09 -1.27 0.31 -1.26 -4.85 118.33 117.29 1nzi n VAL 126 Ca 0.22 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.68 1nzi n VAL 126 Cb 0.48 -0.27 0.38 0.00 -0.91 0.00 0.00 33.84 33.52 1nzi n VAL 126 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1nzi n PRO 127 N 2.41 0.22 -4.24 5.55 -0.04 -1.26 -4.90 135.00 132.74 1nzi n PRO 127 Ca 0.20 -0.11 -0.21 0.00 -0.04 0.00 0.00 63.50 63.34 1nzi n PRO 127 Cb -0.02 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.82 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 4.10 0.23 0.00 0.00 4.64 -1.43 -3.44 113.55 117.64 1nzi h SER 129 Ca -0.44 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 1nzi h SER 129 Cb 1.19 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1nzi h SER 129 CO 0.41 0.67 0.00 1.41 -0.87 0.00 0.00 176.83 178.45 1nzi n HIS 130 N -3.97 0.00 -3.78 4.77 8.25 -1.26 -4.99 115.22 114.24 1nzi n HIS 130 Ca -0.02 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.09 1nzi n HIS 130 Cb 0.52 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.55 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 0.18 3.43 -0.13 4.41 0.08 -0.97 -4.99 117.98 119.99 1nzi s PHE 131 Ca 0.00 0.34 -0.04 0.00 0.12 0.00 0.00 56.93 57.35 1nzi s PHE 131 Cb 0.00 -2.12 -0.03 0.00 -0.57 0.00 0.00 43.02 40.30 1nzi s PHE 131 CO 0.00 0.35 0.02 0.00 -0.10 0.00 0.00 175.22 175.49 1nzi s ASN 133 N -0.28 4.41 0.36 0.00 0.01 0.59 -4.98 114.94 115.05 1nzi s ASN 133 Ca 0.07 -1.64 -0.25 0.00 -0.71 0.00 0.00 52.86 50.33 1nzi s ASN 133 Cb -0.12 -1.46 -0.10 0.00 0.41 0.00 0.00 41.25 39.98 1nzi s ASN 133 CO 0.02 -0.28 0.99 0.21 -1.51 0.00 0.00 177.10 176.53 1nzi s ASN 134 N 1.12 7.09 0.27 -1.22 2.47 -1.26 -1.30 114.94 122.11 1nzi s ASN 134 Ca -0.00 1.93 -0.02 0.00 0.42 0.00 0.00 52.86 55.19 1nzi s ASN 134 Cb -0.19 -2.58 -0.02 0.00 -1.45 0.00 0.00 41.25 37.01 1nzi s ASN 134 CO -0.08 -0.25 0.32 0.72 -3.72 0.00 0.00 177.10 174.09 1nzi s PHE 135 N -1.64 1.09 -0.28 0.43 -0.12 -0.82 -4.95 117.98 111.69 1nzi s PHE 135 Ca 0.53 -1.28 -0.29 0.00 -0.05 0.00 0.00 56.93 55.85 1nzi s PHE 135 Cb -0.20 -0.32 -0.01 0.00 -0.63 0.00 0.00 43.02 41.86 1nzi s PHE 135 CO 0.26 -0.88 1.53 0.42 -0.05 0.00 0.00 175.22 176.49 1nzi s ILE 136 N -3.72 3.81 0.00 -4.49 1.01 -1.26 -2.74 121.20 113.82 1nzi s ILE 136 Ca 0.34 0.89 0.00 0.00 0.00 0.00 0.00 60.65 61.88 1nzi s ILE 136 Cb 0.03 -3.89 0.00 0.00 0.01 0.00 0.00 42.46 38.61 1nzi s ILE 136 CO 0.16 -0.43 0.00 0.61 0.00 0.00 0.00 174.94 175.29 1nzi n GLY 137 N 4.74 1.18 0.00 6.18 0.00 -1.26 -4.98 105.19 111.05 1nzi n GLY 137 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.00 2.43 3.51 -0.02 0.00 -1.11 -4.58 105.19 103.43 1nzi n GLY 138 Ca 0.00 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.52 -0.39 0.04 1.61 1.13 -1.26 -1.94 117.35 115.00 1nzi s TYR 139 Ca 0.00 0.19 -0.02 0.00 -1.41 0.00 0.00 57.07 55.84 1nzi s TYR 139 Cb 0.00 0.57 -0.02 0.00 -1.10 0.00 0.00 41.96 41.40 1nzi s TYR 139 CO 0.00 -0.73 0.00 -0.59 -2.51 0.00 0.00 175.55 171.72 1nzi s PHE 140 N -3.43 0.34 0.02 -3.49 -0.12 -0.42 -4.96 117.98 105.92 1nzi s PHE 140 Ca 0.04 -0.71 -0.01 0.00 -0.05 0.00 0.00 56.93 56.20 1nzi s PHE 140 Cb -0.01 -0.25 -0.04 0.00 -0.63 0.00 0.00 43.02 42.09 1nzi s PHE 140 CO -0.09 -0.30 0.18 0.00 -0.05 0.00 0.00 175.22 174.97 1nzi s SER 142 N -2.18 0.53 0.16 0.00 1.04 0.09 -4.97 113.70 108.37 1nzi s SER 142 Ca 0.30 -1.43 0.06 0.00 0.48 0.00 0.00 55.95 55.37 1nzi s SER 142 Cb -0.13 0.36 -0.04 0.00 0.10 0.00 0.00 66.02 66.31 1nzi s SER 142 CO 0.22 -0.84 -0.14 0.00 0.98 0.00 0.00 173.24 173.47 1nzi s PRO 144 N -3.27 1.79 0.49 0.00 0.04 -1.26 -4.90 135.00 127.88 1nzi s PRO 144 Ca 0.16 0.89 -0.22 0.00 0.04 0.00 0.00 61.00 61.87 1nzi s PRO 144 Cb -0.02 -1.86 -0.09 0.00 0.04 0.00 0.00 34.50 32.57 1nzi s PRO 144 CO 0.04 -1.89 0.92 -2.30 0.04 0.00 0.00 177.00 173.81 1nzi n PRO 145 N -3.65 1.11 -1.11 0.56 -0.02 -1.26 -2.28 135.00 128.34 1nzi n PRO 145 Ca 0.08 0.41 -0.04 0.00 -2.02 0.00 0.00 63.50 61.92 1nzi n PRO 145 Cb 0.55 -2.02 -0.02 0.00 -0.02 0.00 0.00 33.50 31.99 1nzi n PRO 145 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1nzi n GLU 146 N -0.16 -0.99 -4.70 -0.52 1.02 -1.26 -4.99 120.64 109.03 1nzi n GLU 146 Ca 0.11 0.49 -0.29 0.00 -0.02 0.00 0.00 57.16 57.45 1nzi n GLU 146 Cb 0.42 -4.36 -0.14 0.00 -0.02 0.00 0.00 31.44 27.34 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 -1.78 2.18 0.21 -0.32 1.51 -0.97 -4.83 117.35 113.36 1nzi s TYR 147 Ca 0.00 -0.40 0.11 0.00 -1.01 0.00 0.00 57.07 55.77 1nzi s TYR 147 Cb 0.00 -1.27 -0.04 0.00 -0.11 0.00 0.00 41.96 40.53 1nzi s TYR 147 CO 0.00 0.17 -0.16 -0.59 -1.11 0.00 0.00 175.55 173.86 1nzi s PHE 148 N -0.88 2.44 -0.14 2.71 -0.12 -0.31 -4.73 117.98 116.95 1nzi s PHE 148 Ca 0.11 -0.30 -0.24 0.00 -0.05 0.00 0.00 56.93 56.45 1nzi s PHE 148 Cb -0.10 -1.16 -0.02 0.00 -0.63 0.00 0.00 43.02 41.11 1nzi s PHE 148 CO 0.03 0.56 0.76 -1.17 -0.05 0.00 0.00 175.22 175.35 1nzi s LEU 149 N -2.99 4.21 0.92 -1.99 2.96 -1.26 -0.91 118.68 119.61 1nzi s LEU 149 Ca 0.25 1.12 -0.11 0.00 -0.22 0.00 0.00 54.13 55.17 1nzi s LEU 149 Cb -0.07 -3.14 0.15 0.00 0.50 0.00 0.00 46.19 43.63 1nzi s LEU 149 CO 0.14 -0.30 1.10 -1.00 -1.32 0.00 0.00 176.35 174.97 1nzi s HIS 150 N 1.72 1.96 -0.03 5.38 3.76 0.80 -4.87 115.29 124.02 1nzi s HIS 150 Ca 0.37 1.49 0.28 0.00 -0.15 0.00 0.00 55.06 57.05 1nzi s HIS 150 Cb -0.17 -3.19 1.44 0.00 1.11 0.00 0.00 32.58 31.78 1nzi s HIS 150 CO 0.14 -2.67 1.86 -0.44 -0.85 0.00 0.00 174.74 172.78 1nzi h ASP 151 N -1.76 0.00 0.26 1.40 3.32 -1.96 -0.33 116.42 117.35 1nzi h ASP 151 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1nzi h ASP 151 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1nzi h ASP 151 CO 0.49 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.11 1nzi n ASP 152 N -2.52 0.00 -0.04 6.45 5.68 -1.26 -4.88 116.55 119.99 1nzi n ASP 152 Ca -0.01 -0.26 -0.00 0.00 -0.50 0.00 0.00 54.79 54.01 1nzi n ASP 152 Cb 0.11 -0.18 -0.00 0.00 -1.14 0.00 0.00 41.12 39.90 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 -1.18 -1.43 0.00 0.11 2.81 -0.13 -4.74 117.12 112.56 1nzi n MET 153 Ca 0.13 0.38 0.00 0.00 -1.81 0.00 0.00 57.70 56.40 1nzi n MET 153 Cb 0.14 -4.46 0.00 0.00 -0.71 0.00 0.00 33.22 28.18 1nzi n MET 153 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1nzi n LYS 154 N -0.20 2.37 -4.33 0.03 4.76 -1.26 -4.33 118.16 115.20 1nzi n LYS 154 Ca -0.00 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.10 1nzi n LYS 154 Cb 0.36 -0.79 -0.09 0.00 -1.84 0.00 0.00 35.03 32.67 1nzi n LYS 154 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1nzi s ASN 155 N -2.02 5.21 0.08 4.39 -0.87 -1.26 -1.03 114.94 119.45 1nzi s ASN 155 Ca 0.00 0.09 0.01 0.00 -1.57 0.00 0.00 52.86 51.39 1nzi s ASN 155 Cb 0.00 -1.43 -0.04 0.00 -0.02 0.00 0.00 41.25 39.76 1nzi s ASN 155 CO 0.00 0.34 0.20 0.00 -2.57 0.00 0.00 177.10 175.07 1nzi s GLY 157 N -2.66 0.83 0.14 0.00 0.00 -0.09 -4.90 107.32 100.64 1nzi s GLY 157 Ca 0.34 -1.06 0.04 0.00 0.00 0.00 0.00 44.72 44.04 1nzi s GLY 157 CO 0.27 -0.61 -0.10 -1.34 0.00 0.00 0.00 173.10 171.32 1nzi s VAL 158 N -2.78 1.14 -2.25 1.40 -7.23 -1.26 -1.16 120.40 108.26 1nzi s VAL 158 Ca 0.22 -1.97 0.30 0.00 -1.81 0.00 0.00 61.98 58.72 1nzi s VAL 158 Cb -0.03 -1.74 0.73 0.00 0.56 0.00 0.00 36.38 35.90 1nzi s VAL 158 CO 0.15 -0.69 1.99 0.59 -0.31 0.00 0.00 175.10 176.82