#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c3h n GLY 5 N 0.00 3.48 3.61 0.23 0.00 -0.41 -4.40 105.19 107.69 2c3h n GLY 5 Ca 0.00 -1.62 -0.36 0.00 0.00 0.00 0.00 46.02 44.04 2c3h n GLY 5 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c3h s LEU 6 N 0.00 3.86 -0.20 0.99 1.02 -0.71 -4.89 118.68 118.75 2c3h s LEU 6 Ca 0.00 0.03 -0.10 0.00 0.02 0.00 0.00 54.13 54.09 2c3h s LEU 6 Cb 0.00 -2.01 -0.05 0.00 0.02 0.00 0.00 46.19 44.15 2c3h s LEU 6 CO 0.00 0.09 0.13 -0.89 0.02 0.00 0.00 176.35 175.69 2c3h s THR 7 N 0.91 5.39 -0.03 5.49 2.01 -1.26 0.12 115.64 128.26 2c3h s THR 7 Ca 0.05 0.18 0.03 0.00 0.31 0.00 0.00 61.69 62.26 2c3h s THR 7 Cb -0.13 -3.46 0.00 0.00 0.01 0.00 0.00 72.50 68.92 2c3h s THR 7 CO 0.03 0.44 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.66 2c3h s ILE 8 N 0.38 0.93 0.06 1.82 1.01 -0.01 -4.23 121.20 121.15 2c3h s ILE 8 Ca 0.08 -0.44 0.09 0.00 0.00 0.00 0.00 60.65 60.37 2c3h s ILE 8 Cb -0.11 -0.82 -0.03 0.00 0.01 0.00 0.00 42.46 41.50 2c3h s ILE 8 CO -0.02 0.29 -0.23 -0.31 0.00 0.00 0.00 174.94 174.67 2c3h s TYR 9 N 0.18 2.43 -0.07 3.97 2.02 0.33 -0.93 117.35 125.28 2c3h s TYR 9 Ca -0.04 -0.34 -0.03 0.00 -0.37 0.00 0.00 57.07 56.30 2c3h s TYR 9 Cb -0.09 -1.40 0.04 0.00 -0.40 0.00 0.00 41.96 40.11 2c3h s TYR 9 CO 0.01 0.22 0.13 0.12 -1.57 0.00 0.00 175.55 174.46 2c3h s PHE 10 N -0.90 -0.12 -0.31 2.71 5.36 0.87 -1.85 117.98 123.74 2c3h s PHE 10 Ca 0.14 0.49 -0.29 0.00 -0.96 0.00 0.00 56.93 56.30 2c3h s PHE 10 Cb -0.10 -0.25 0.01 0.00 -0.34 0.00 0.00 43.02 42.33 2c3h s PHE 10 CO 0.04 -0.22 1.22 0.21 -1.46 0.00 0.00 175.22 175.01 2c3h s LYS 11 N 1.91 3.97 0.06 10.12 2.20 -0.54 -1.60 119.74 135.87 2c3h s LYS 11 Ca -0.00 1.19 -0.31 0.00 -0.36 0.00 0.00 55.97 56.48 2c3h s LYS 11 Cb -0.12 -3.83 -0.07 0.00 -1.51 0.00 0.00 37.83 32.31 2c3h s LYS 11 CO -0.05 -1.04 1.36 0.21 -0.36 0.00 0.00 175.35 175.47 2c3h s LYS 12 N 3.98 4.33 0.49 4.03 2.20 -0.63 -4.88 119.74 129.26 2c3h s LYS 12 Ca 0.52 1.98 -0.23 0.00 -0.36 0.00 0.00 55.97 57.88 2c3h s LYS 12 Cb -0.15 -3.39 -0.06 0.00 -1.51 0.00 0.00 37.83 32.72 2c3h s LYS 12 CO 0.20 -0.45 1.31 -2.14 -0.36 0.00 0.00 175.35 173.92 2c3h s PRO 13 N 1.57 3.48 0.27 4.03 0.02 -1.26 -4.90 135.00 138.20 2c3h s PRO 13 Ca 0.63 2.14 -0.02 0.00 0.02 0.00 0.00 61.00 63.78 2c3h s PRO 13 Cb -0.33 -2.42 0.46 0.00 0.02 0.00 0.00 34.50 32.23 2c3h s PRO 13 CO 0.29 -0.89 1.84 -0.44 -0.33 0.00 0.00 177.00 177.47 2c3h h ASP 14 N 1.89 0.89 -0.00 2.53 3.45 -2.00 -1.90 116.42 121.28 2c3h h ASP 14 Ca -0.50 0.04 0.00 0.00 0.43 0.00 0.00 57.03 56.99 2c3h h ASP 14 Cb 1.28 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 39.90 2c3h h ASP 14 CO 0.59 0.51 0.00 -1.54 -1.57 0.00 0.00 179.24 177.24 2c3h n SER 15 N -4.62 0.09 -4.86 6.45 3.41 -1.26 -4.86 113.62 107.97 2c3h n SER 15 Ca 0.16 -1.11 -0.32 0.00 -0.26 0.00 0.00 58.87 57.34 2c3h n SER 15 Cb 0.28 -0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.17 2c3h n SER 15 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 2c3h s TRP 16 N -2.00 3.39 0.95 7.33 0.52 -0.72 -5.10 118.94 123.32 2c3h s TRP 16 Ca 0.44 1.10 -0.16 0.00 0.02 0.00 0.00 56.10 57.50 2c3h s TRP 16 Cb 0.20 -2.45 0.24 0.00 -1.15 0.00 0.00 33.47 30.31 2c3h s TRP 16 CO 0.34 0.13 0.86 0.41 0.02 0.00 0.00 176.95 178.71 2c3h n GLY 17 N -0.38 -2.66 3.73 0.98 0.00 -1.26 -4.93 105.19 100.66 2c3h n GLY 17 Ca 0.03 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 2c3h n GLY 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2c3h s THR 18 N -2.57 3.04 0.43 2.61 -4.23 -1.26 -4.83 115.64 108.83 2c3h s THR 18 Ca 0.56 0.80 -0.24 0.00 -1.18 0.00 0.00 61.69 61.63 2c3h s THR 18 Cb -0.05 -3.51 -0.08 0.00 1.34 0.00 0.00 72.50 70.20 2c3h s THR 18 CO 0.42 0.09 1.21 -2.16 -0.54 0.00 0.00 174.62 173.65 2c3h s PRO 19 N 0.40 3.85 0.15 3.99 0.04 -1.26 -4.41 135.00 137.76 2c3h s PRO 19 Ca 0.62 1.92 0.07 0.00 0.04 0.00 0.00 61.00 63.65 2c3h s PRO 19 Cb -0.39 -2.56 -0.04 0.00 0.04 0.00 0.00 34.50 31.55 2c3h s PRO 19 CO 0.36 -0.52 -0.03 -1.01 0.04 0.00 0.00 177.00 175.84 2c3h s HIS 20 N -1.41 2.81 -0.31 0.56 3.76 0.36 -0.68 115.29 120.37 2c3h s HIS 20 Ca 0.61 -0.14 -0.05 0.00 -0.15 0.00 0.00 55.06 55.32 2c3h s HIS 20 Cb -0.32 -1.40 0.03 0.00 1.11 0.00 0.00 32.58 32.00 2c3h s HIS 20 CO 0.40 0.49 0.06 -1.17 -0.85 0.00 0.00 174.74 173.68 2c3h s LEU 21 N -2.70 4.00 -0.08 0.89 2.96 -0.04 -1.89 118.68 121.83 2c3h s LEU 21 Ca 0.26 -1.02 -0.09 0.00 -0.22 0.00 0.00 54.13 53.06 2c3h s LEU 21 Cb -0.10 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 2c3h s LEU 21 CO 0.17 -0.26 0.21 -0.47 -1.32 0.00 0.00 176.35 174.69 2c3h s TYR 22 N 1.39 3.63 -0.03 5.38 5.04 0.05 -3.62 117.35 129.19 2c3h s TYR 22 Ca -0.01 0.64 -0.17 0.00 -2.44 0.00 0.00 57.07 55.10 2c3h s TYR 22 Cb -0.19 -2.03 0.03 0.00 0.35 0.00 0.00 41.96 40.13 2c3h s TYR 22 CO 0.01 0.71 0.36 1.52 -1.34 0.00 0.00 175.55 176.81 2c3h s TYR 23 N -1.06 -0.26 0.23 4.97 1.13 -1.26 -0.31 117.35 120.78 2c3h s TYR 23 Ca 0.18 0.44 -0.04 0.00 -1.41 0.00 0.00 57.07 56.24 2c3h s TYR 23 Cb -0.13 0.14 0.02 0.00 -1.10 0.00 0.00 41.96 40.88 2c3h s TYR 23 CO 0.07 -0.40 0.38 2.48 -2.51 0.00 0.00 175.55 175.57 2c3h n TYR 24 N 1.37 -1.37 -4.01 -3.49 4.11 0.13 -4.64 117.16 109.26 2c3h n TYR 24 Ca -0.21 -1.37 -0.33 0.00 -0.00 0.00 0.00 57.90 56.00 2c3h n TYR 24 Cb 0.56 0.44 0.00 0.00 -0.00 0.00 0.00 39.34 40.34 2c3h n TYR 24 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.86 176.61 2c3h n ASP 25 N -1.63 -4.16 -4.77 9.48 9.92 -1.26 -1.22 116.55 122.91 2c3h n ASP 25 Ca -0.02 -0.85 -0.41 0.00 -0.53 0.00 0.00 54.79 52.98 2c3h n ASP 25 Cb 0.37 -3.35 -0.01 0.00 -0.64 0.00 0.00 41.12 37.49 2c3h n ASP 25 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2c3h s THR 26 N -3.26 2.28 -0.07 -3.53 -4.23 -1.26 -4.32 115.64 101.24 2c3h s THR 26 Ca 0.69 0.27 -0.02 0.00 -1.18 0.00 0.00 61.69 61.45 2c3h s THR 26 Cb -0.36 -3.17 0.03 0.00 1.34 0.00 0.00 72.50 70.34 2c3h s THR 26 CO 0.85 0.06 0.03 0.21 -0.54 0.00 0.00 174.62 175.23 2c3h s ASN 27 N -0.10 1.56 0.88 3.99 2.47 -0.18 -3.29 114.94 120.27 2c3h s ASN 27 Ca 0.54 -0.11 -0.12 0.00 0.42 0.00 0.00 52.86 53.59 2c3h s ASN 27 Cb -0.44 -0.31 0.12 0.00 -1.45 0.00 0.00 41.25 39.16 2c3h s ASN 27 CO 0.57 -0.24 1.10 -2.84 -3.72 0.00 0.00 177.10 171.97 2c3h s PRO 28 N 2.06 1.37 0.26 0.43 0.02 -1.26 0.86 135.00 138.74 2c3h s PRO 28 Ca 0.04 0.71 -0.30 0.00 0.02 0.00 0.00 61.00 61.47 2c3h s PRO 28 Cb -0.13 -1.83 -0.11 0.00 0.02 0.00 0.00 34.50 32.45 2c3h s PRO 28 CO -0.05 -2.14 1.57 0.21 -0.33 0.00 0.00 177.00 176.27 2c3h s LYS 29 N -5.01 4.16 0.11 5.54 2.47 -1.21 -4.73 119.74 121.08 2c3h s LYS 29 Ca 0.63 2.50 -0.05 0.00 -1.56 0.00 0.00 55.97 57.49 2c3h s LYS 29 Cb -0.17 -3.06 -0.02 0.00 -1.46 0.00 0.00 37.83 33.12 2c3h s LYS 29 CO 0.56 -0.60 0.13 0.54 0.16 0.00 0.00 175.35 176.14 2c3h s VAL 30 N 0.21 0.13 0.42 4.02 0.11 -1.26 -5.08 120.40 118.94 2c3h s VAL 30 Ca 0.64 -1.59 -0.26 0.00 -2.93 0.00 0.00 61.98 57.84 2c3h s VAL 30 Cb -0.46 -1.72 -0.09 0.00 -1.53 0.00 0.00 36.38 32.57 2c3h s VAL 30 CO 0.44 -0.58 1.39 0.47 -3.33 0.00 0.00 175.10 173.49 2c3h n ASP 31 N -0.07 3.19 -3.92 3.54 8.00 -1.26 -4.90 116.55 121.12 2c3h n ASP 31 Ca -0.10 1.14 -0.30 0.00 0.71 0.00 0.00 54.79 56.24 2c3h n ASP 31 Cb 0.63 -1.57 -0.15 0.00 -0.02 0.00 0.00 41.12 40.00 2c3h n ASP 31 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2c3h s GLU 32 N -2.29 1.46 0.47 -1.24 2.02 -1.26 -5.08 118.70 112.77 2c3h s GLU 32 Ca 0.59 -1.09 -0.24 0.00 0.02 0.00 0.00 54.97 54.24 2c3h s GLU 32 Cb -0.48 -2.57 -0.08 0.00 0.10 0.00 0.00 34.13 31.10 2c3h s GLU 32 CO 0.59 -0.69 1.36 -0.35 0.02 0.00 0.00 175.26 176.19 2c3h n PRO 33 N 4.65 2.02 -1.45 0.39 -0.04 -1.26 -5.01 135.00 134.30 2c3h n PRO 33 Ca -0.09 0.73 -0.41 0.00 -0.04 0.00 0.00 63.50 63.69 2c3h n PRO 33 Cb 0.44 -2.54 0.01 0.00 -0.04 0.00 0.00 33.50 31.36 2c3h n PRO 33 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2c3h n THR 34 N -0.41 1.80 -0.37 0.52 -1.04 -1.26 -4.75 114.28 108.76 2c3h n THR 34 Ca 0.07 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.58 2c3h n THR 34 Cb 0.42 -0.56 0.06 0.00 -1.82 0.00 0.00 70.33 68.42 2c3h n THR 34 CO 0.00 0.00 0.00 1.87 -0.64 0.00 0.00 175.07 176.30 2c3h n TRP 35 N -0.97 0.09 0.52 -1.42 -0.00 -1.26 -0.62 117.44 113.78 2c3h n TRP 35 Ca 0.11 1.21 0.13 0.00 -0.00 0.00 0.00 57.50 58.95 2c3h n TRP 35 Cb 0.41 -0.91 0.44 0.00 -0.00 0.00 0.00 31.31 31.25 2c3h n TRP 35 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 177.69 176.56 2c3h n SER 36 N -5.48 0.79 -0.70 5.87 3.41 -1.26 -2.44 113.62 113.81 2c3h n SER 36 Ca 0.11 0.62 0.07 0.00 -0.26 0.00 0.00 58.87 59.41 2c3h n SER 36 Cb 0.41 -0.81 0.13 0.00 -0.26 0.00 0.00 64.21 63.68 2c3h n SER 36 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2c3h n GLU 37 N -2.29 1.92 -1.56 4.33 1.02 -0.28 -4.98 120.64 118.81 2c3h n GLU 37 Ca 0.04 -1.79 -0.52 0.00 -0.02 0.00 0.00 57.16 54.87 2c3h n GLU 37 Cb 0.35 -1.31 -0.05 0.00 -0.02 0.00 0.00 31.44 30.40 2c3h n GLU 37 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2c3h n ALA 38 N 0.81 -1.53 -1.78 0.62 0.00 0.21 -4.82 120.51 114.02 2c3h n ALA 38 Ca 0.12 0.51 -0.37 0.00 0.00 0.00 0.00 53.44 53.70 2c3h n ALA 38 Cb 0.42 -1.97 -0.02 0.00 0.00 0.00 0.00 19.45 17.88 2c3h n ALA 38 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2c3h s PRO 39 N -0.03 3.92 -0.00 0.00 0.04 -1.24 -4.64 135.00 133.05 2c3h s PRO 39 Ca 0.80 1.65 -0.35 0.00 0.04 0.00 0.00 61.00 63.14 2c3h s PRO 39 Cb -0.97 -2.45 -0.14 0.00 0.04 0.00 0.00 34.50 30.98 2c3h s PRO 39 CO 0.51 -0.38 1.66 0.39 0.04 0.00 0.00 177.00 179.22 2c3h n GLU 40 N -0.34 1.82 -2.67 4.56 1.02 -1.26 -0.86 120.64 122.91 2c3h n GLU 40 Ca 0.06 0.66 -0.42 0.00 -0.02 0.00 0.00 57.16 57.45 2c3h n GLU 40 Cb 0.49 -2.42 -0.03 0.00 -0.02 0.00 0.00 31.44 29.46 2c3h n GLU 40 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2c3h s MET 41 N 2.24 4.55 0.35 3.49 -1.94 0.14 -4.89 119.30 123.24 2c3h s MET 41 Ca 0.87 1.48 -0.29 0.00 -1.71 0.00 0.00 55.69 56.04 2c3h s MET 41 Cb -0.80 -3.44 -0.11 0.00 2.01 0.00 0.00 34.83 32.49 2c3h s MET 41 CO 0.48 -0.06 1.49 0.39 -0.01 0.00 0.00 175.02 177.31 2c3h n GLU 42 N 3.81 2.60 -1.88 2.03 1.02 -0.06 -4.66 120.64 123.51 2c3h n GLU 42 Ca 0.06 0.92 -0.42 0.00 -0.02 0.00 0.00 57.16 57.70 2c3h n GLU 42 Cb 0.50 -2.64 -0.02 0.00 -0.02 0.00 0.00 31.44 29.26 2c3h n GLU 42 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2c3h s HIS 43 N -0.77 2.91 0.00 -0.32 5.65 -1.26 -0.50 115.29 120.99 2c3h s HIS 43 Ca 0.57 0.80 0.00 0.00 0.25 0.00 0.00 55.06 56.68 2c3h s HIS 43 Cb -0.50 -3.97 0.00 0.00 -1.18 0.00 0.00 32.58 26.93 2c3h s HIS 43 CO 0.59 -3.31 0.00 0.98 -0.65 0.00 0.00 174.74 172.35 2c3h n TYR 44 N 2.68 0.00 -3.67 3.88 9.36 0.35 -4.82 117.16 124.95 2c3h n TYR 44 Ca 0.09 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.23 2c3h n TYR 44 Cb 0.38 0.00 -0.09 0.00 -0.63 0.00 0.00 39.34 39.00 2c3h n TYR 44 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 2c3h s GLU 45 N -0.25 0.41 7.99 2.98 2.02 -1.03 -5.01 118.70 125.81 2c3h s GLU 45 Ca 0.00 1.04 0.00 0.00 0.02 0.00 0.00 54.97 56.03 2c3h s GLU 45 Cb 0.00 0.29 0.00 0.00 0.10 0.00 0.00 34.13 34.52 2c3h s GLU 45 CO 0.00 -0.21 0.00 0.41 0.02 0.00 0.00 175.26 175.48 2c3h n GLY 46 N 5.00 4.11 0.02 -1.39 0.00 -1.26 -1.61 105.19 110.07 2c3h n GLY 46 Ca -0.14 0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.09 2c3h n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2c3h n ASP 47 N 8.91 0.24 -4.76 1.61 8.00 -1.26 -4.90 116.55 124.39 2c3h n ASP 47 Ca 0.00 0.41 -0.40 0.00 0.71 0.00 0.00 54.79 55.52 2c3h n ASP 47 Cb 0.00 -0.44 -0.05 0.00 -0.02 0.00 0.00 41.12 40.61 2c3h n ASP 47 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2c3h s TRP 48 N -3.03 3.76 0.28 1.24 0.52 -0.63 -1.61 118.94 119.48 2c3h s TRP 48 Ca 0.13 1.45 0.06 0.00 0.02 0.00 0.00 56.10 57.76 2c3h s TRP 48 Cb 0.17 -2.76 -0.06 0.00 -1.15 0.00 0.00 33.47 29.67 2c3h s TRP 48 CO 0.57 0.35 -0.03 0.71 0.02 0.00 0.00 176.95 178.56 2c3h s TYR 49 N -0.33 1.90 -0.03 -1.98 2.02 -0.62 -0.49 117.35 117.81 2c3h s TYR 49 Ca 0.36 -0.77 -0.10 0.00 -0.37 0.00 0.00 57.07 56.19 2c3h s TYR 49 Cb -0.21 -1.12 0.02 0.00 -0.40 0.00 0.00 41.96 40.25 2c3h s TYR 49 CO 0.23 0.19 0.23 -0.08 -1.57 0.00 0.00 175.55 174.54 2c3h s THR 50 N -3.12 0.05 -0.13 -0.71 -1.32 0.35 -0.09 115.64 110.67 2c3h s THR 50 Ca 0.30 -0.40 -0.16 0.00 -1.21 0.00 0.00 61.69 60.22 2c3h s THR 50 Cb 0.05 -0.47 0.04 0.00 -1.51 0.00 0.00 72.50 70.61 2c3h s THR 50 CO 0.12 -0.22 0.42 -2.28 -2.21 0.00 0.00 174.62 170.45 2c3h s HIS 51 N -0.89 -0.42 -0.23 9.09 2.46 -0.10 -0.88 115.29 124.31 2c3h s HIS 51 Ca -0.10 0.98 -0.07 0.00 0.47 0.00 0.00 55.06 56.34 2c3h s HIS 51 Cb -0.05 0.16 -0.03 0.00 -0.13 0.00 0.00 32.58 32.53 2c3h s HIS 51 CO 0.02 -0.28 0.06 0.99 -2.47 0.00 0.00 174.74 173.06 2c3h s THR 52 N -0.16 4.37 -0.49 0.89 2.01 -1.25 -0.83 115.64 120.17 2c3h s THR 52 Ca -0.03 -0.16 -0.25 0.00 0.31 0.00 0.00 61.69 61.56 2c3h s THR 52 Cb -0.03 -3.02 0.03 0.00 0.01 0.00 0.00 72.50 69.49 2c3h s THR 52 CO 0.02 0.37 0.94 -0.63 -0.69 0.00 0.00 174.62 174.63 2c3h s ILE 53 N 1.29 4.43 0.45 1.82 1.01 0.32 -4.91 121.20 125.60 2c3h s ILE 53 Ca 0.05 0.60 -0.24 0.00 0.00 0.00 0.00 60.65 61.06 2c3h s ILE 53 Cb -0.15 -4.48 -0.07 0.00 0.01 0.00 0.00 42.46 37.77 2c3h s ILE 53 CO 0.03 -0.95 1.26 -1.61 0.00 0.00 0.00 174.94 173.68 2c3h s GLU 54 N 3.86 3.72 0.00 2.79 0.41 -1.26 -1.73 118.70 126.49 2c3h s GLU 54 Ca 0.35 2.03 0.00 0.00 -0.41 0.00 0.00 54.97 56.94 2c3h s GLU 54 Cb -0.11 -2.53 0.00 0.00 -1.78 0.00 0.00 34.13 29.72 2c3h s GLU 54 CO 0.24 -0.66 0.00 0.41 -0.49 0.00 0.00 175.26 174.76 2c3h n GLY 55 N 0.60 0.72 3.03 -1.39 0.00 -1.26 -4.93 105.19 101.97 2c3h n GLY 55 Ca 0.06 -0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 2c3h n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c3h s VAL 56 N -2.00 0.95 -0.21 1.61 0.11 -1.26 -4.05 120.40 115.55 2c3h s VAL 56 Ca 0.00 -0.45 -0.18 0.00 -2.93 0.00 0.00 61.98 58.42 2c3h s VAL 56 Cb 0.00 -0.84 -0.19 0.00 -1.53 0.00 0.00 36.38 33.82 2c3h s VAL 56 CO 0.00 0.29 0.14 -0.62 -3.33 0.00 0.00 175.10 171.58 2c3h n GLU 57 N 3.29 0.59 -4.24 1.54 -0.58 0.25 -1.29 120.64 120.20 2c3h n GLU 57 Ca -0.18 0.49 -0.15 0.00 -0.42 0.00 0.00 57.16 56.90 2c3h n GLU 57 Cb 0.54 -1.70 -0.10 0.00 -0.57 0.00 0.00 31.44 29.60 2c3h n GLU 57 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2c3h s SER 58 N -6.97 1.79 0.01 1.62 1.04 -0.22 -3.51 113.70 107.46 2c3h s SER 58 Ca -0.30 -0.98 -0.27 0.00 0.48 0.00 0.00 55.95 54.89 2c3h s SER 58 Cb 0.07 -0.02 0.06 0.00 0.10 0.00 0.00 66.02 66.24 2c3h s SER 58 CO 0.60 -0.30 0.62 0.54 0.98 0.00 0.00 173.24 175.67 2c3h s VAL 59 N -3.13 0.01 -0.14 5.02 0.11 0.24 -1.01 120.40 121.51 2c3h s VAL 59 Ca 0.15 -0.07 -0.04 0.00 -2.93 0.00 0.00 61.98 59.08 2c3h s VAL 59 Cb 0.01 -0.97 -0.03 0.00 -1.53 0.00 0.00 36.38 33.85 2c3h s VAL 59 CO 0.01 -0.04 0.02 -0.13 -3.33 0.00 0.00 175.10 171.63 2c3h s ARG 60 N -1.89 3.51 0.04 1.54 0.52 -0.35 -1.51 118.95 120.80 2c3h s ARG 60 Ca -0.08 -0.40 0.01 0.00 -0.52 0.00 0.00 55.73 54.74 2c3h s ARG 60 Cb -0.01 -2.98 -0.02 0.00 0.52 0.00 0.00 34.95 32.46 2c3h s ARG 60 CO 0.03 0.45 -0.05 -0.48 0.02 0.00 0.00 175.30 175.27 2c3h s LEU 61 N -0.18 2.27 0.04 2.53 0.05 0.64 -0.69 118.68 123.35 2c3h s LEU 61 Ca 0.06 -0.57 0.06 0.00 0.05 0.00 0.00 54.13 53.72 2c3h s LEU 61 Cb -0.12 -0.03 -0.02 0.00 -2.05 0.00 0.00 46.19 43.97 2c3h s LEU 61 CO 0.02 -0.28 -0.16 -0.76 -0.55 0.00 0.00 176.35 174.62 2c3h s LEU 62 N -1.65 2.18 0.08 1.48 1.02 0.57 0.29 118.68 122.64 2c3h s LEU 62 Ca -0.11 -0.49 -0.13 0.00 0.02 0.00 0.00 54.13 53.42 2c3h s LEU 62 Cb -0.08 -0.69 -0.06 0.00 0.02 0.00 0.00 46.19 45.38 2c3h s LEU 62 CO -0.01 0.05 0.46 -0.36 0.02 0.00 0.00 176.35 176.51 2c3h s PHE 63 N -0.88 3.65 0.18 0.29 0.08 -0.20 -0.77 117.98 120.34 2c3h s PHE 63 Ca 0.03 0.97 -0.06 0.00 0.12 0.00 0.00 56.93 57.98 2c3h s PHE 63 Cb -0.08 -2.28 -0.02 0.00 -0.57 0.00 0.00 43.02 40.06 2c3h s PHE 63 CO 0.02 0.54 0.25 -1.59 -0.10 0.00 0.00 175.22 174.33 2c3h s LYS 64 N -1.62 1.21 0.15 0.44 -2.85 -0.79 -0.10 119.74 116.18 2c3h s LYS 64 Ca 0.31 -1.35 0.01 0.00 -1.00 0.00 0.00 55.97 53.94 2c3h s LYS 64 Cb -0.15 0.35 0.01 0.00 -2.06 0.00 0.00 37.83 35.97 2c3h s LYS 64 CO 0.17 -0.43 0.08 -0.40 0.10 0.00 0.00 175.35 174.87 2c3h n ASP 65 N -0.24 1.71 0.18 0.03 5.68 -1.12 0.14 116.55 122.92 2c3h n ASP 65 Ca -0.03 -1.54 0.14 0.00 -0.50 0.00 0.00 54.79 52.85 2c3h n ASP 65 Cb 0.64 0.02 0.53 0.00 -1.14 0.00 0.00 41.12 41.17 2c3h n ASP 65 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 2c3h h ARG 66 N 0.00 0.00 0.00 0.11 3.08 -1.91 -3.44 114.38 112.22 2c3h h ARG 66 Ca -0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2c3h h ARG 66 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 2c3h h ARG 66 CO 0.16 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.47 2c3h n GLY 67 N 0.15 0.66 1.03 0.04 0.00 -1.26 -4.99 105.19 100.81 2c3h n GLY 67 Ca 0.02 -1.35 0.09 0.00 0.00 0.00 0.00 46.02 44.78 2c3h n GLY 67 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2c3h n THR 68 N 0.00 0.90 -2.91 2.61 -2.24 -1.26 -4.99 114.28 106.39 2c3h n THR 68 Ca 0.00 -0.95 -0.34 0.00 -2.27 0.00 0.00 64.05 60.49 2c3h n THR 68 Cb 0.00 0.59 -0.07 0.00 -2.10 0.00 0.00 70.33 68.76 2c3h n THR 68 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2c3h s ASN 69 N -1.06 7.02 0.14 3.42 0.02 -1.26 -5.00 114.94 118.23 2c3h s ASN 69 Ca 0.37 1.61 -0.23 0.00 -1.02 0.00 0.00 52.86 53.58 2c3h s ASN 69 Cb 0.19 -2.50 0.07 0.00 0.02 0.00 0.00 41.25 39.03 2c3h s ASN 69 CO 0.26 -0.21 0.59 0.00 0.02 0.00 0.00 177.10 177.76 2c3h s GLN 70 N -2.71 1.24 -0.19 -0.60 -2.07 -1.26 -2.78 119.66 111.30 2c3h s GLN 70 Ca 0.55 -0.43 -0.04 0.00 -1.82 0.00 0.00 55.36 53.62 2c3h s GLN 70 Cb -0.13 0.57 0.09 0.00 -1.09 0.00 0.00 33.01 32.46 2c3h s GLN 70 CO 0.18 -0.53 0.29 -0.46 -1.32 0.00 0.00 175.29 173.45 2c3h s TRP 71 N -3.53 -0.50 1.02 9.60 -0.11 0.86 -4.40 118.94 121.89 2c3h s TRP 71 Ca 0.00 0.72 -0.17 0.00 1.22 0.00 0.00 56.10 57.87 2c3h s TRP 71 Cb -0.01 -0.11 0.24 0.00 -1.50 0.00 0.00 33.47 32.09 2c3h s TRP 71 CO -0.11 -0.54 1.31 -0.35 -4.62 0.00 0.00 176.95 172.64 2c3h n PRO 72 N 5.35 -1.56 -0.65 5.86 -0.04 -1.26 -1.04 135.00 141.66 2c3h n PRO 72 Ca -0.05 -2.02 -0.31 0.00 -0.04 0.00 0.00 63.50 61.07 2c3h n PRO 72 Cb 0.50 -1.41 0.18 0.00 -0.04 0.00 0.00 33.50 32.73 2c3h n PRO 72 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2c3h n GLY 73 N -3.88 -2.07 3.66 0.55 0.00 -1.26 -4.80 105.19 97.39 2c3h n GLY 73 Ca 0.17 -0.87 -0.50 0.00 0.00 0.00 0.00 46.02 44.82 2c3h n GLY 73 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2c3h n PRO 74 N -2.91 1.76 0.00 1.61 -0.02 -1.26 -1.35 135.00 132.83 2c3h n PRO 74 Ca 0.04 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 2c3h n PRO 74 Cb 0.57 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 2c3h n PRO 74 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2c3h n GLY 75 N 3.64 2.86 3.77 -1.23 0.00 -1.26 -5.00 105.19 107.96 2c3h n GLY 75 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 2c3h n GLY 75 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2c3h s GLU 76 N -0.32 4.02 0.54 1.61 0.41 -0.46 -4.94 118.70 119.57 2c3h s GLU 76 Ca 0.00 1.89 -0.21 0.00 -0.41 0.00 0.00 54.97 56.25 2c3h s GLU 76 Cb 0.00 -2.68 -0.06 0.00 -1.78 0.00 0.00 34.13 29.61 2c3h s GLU 76 CO 0.00 -0.36 1.10 -2.30 -0.49 0.00 0.00 175.26 173.20 2c3h n PRO 77 N 0.06 1.25 -1.02 0.39 -0.02 -1.26 -4.85 135.00 129.54 2c3h n PRO 77 Ca 0.04 0.46 -0.34 0.00 -2.02 0.00 0.00 63.50 61.65 2c3h n PRO 77 Cb 0.46 -2.27 0.12 0.00 -0.02 0.00 0.00 33.50 31.79 2c3h n PRO 77 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2c3h n GLY 78 N 1.10 -0.96 3.76 -1.23 0.00 -1.26 -4.81 105.19 101.79 2c3h n GLY 78 Ca 0.12 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 2c3h n GLY 78 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2c3h s PHE 79 N -2.19 3.17 -0.27 1.61 0.08 0.14 -4.53 117.98 115.99 2c3h s PHE 79 Ca 0.66 1.36 -0.17 0.00 0.12 0.00 0.00 56.93 58.90 2c3h s PHE 79 Cb -0.28 -3.62 -0.03 0.00 -0.57 0.00 0.00 43.02 38.52 2c3h s PHE 79 CO 0.58 -1.78 0.49 0.12 -0.10 0.00 0.00 175.22 174.53 2c3h s PHE 80 N -0.70 3.25 -0.02 0.36 5.36 -1.26 -0.26 117.98 124.72 2c3h s PHE 80 Ca 0.51 0.54 0.06 0.00 -0.96 0.00 0.00 56.93 57.09 2c3h s PHE 80 Cb -0.38 -2.72 -0.01 0.00 -0.34 0.00 0.00 43.02 39.56 2c3h s PHE 80 CO 0.47 -0.31 -0.19 1.03 -1.46 0.00 0.00 175.22 174.76 2c3h s ARG 81 N 2.28 1.65 0.00 10.12 1.81 -0.57 -4.97 118.95 129.28 2c3h s ARG 81 Ca 0.20 -0.69 0.00 0.00 -1.72 0.00 0.00 55.73 53.52 2c3h s ARG 81 Cb -0.16 -1.56 0.00 0.00 -0.45 0.00 0.00 34.95 32.79 2c3h s ARG 81 CO 0.10 0.39 0.00 -0.25 -0.68 0.00 0.00 175.30 174.85 2c3h n ASP 82 N 2.71 0.00 -3.51 0.23 9.92 -1.23 0.80 116.55 125.47 2c3h n ASP 82 Ca -0.16 0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.02 2c3h n ASP 82 Cb 0.53 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.99 2c3h n ASP 82 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2c3h s GLN 83 N 0.00 0.80 0.61 -1.24 -2.07 -1.26 -4.79 119.66 111.71 2c3h s GLN 83 Ca 0.00 -0.30 -0.18 0.00 -1.82 0.00 0.00 55.36 53.07 2c3h s GLN 83 Cb 0.00 0.36 -0.08 0.00 -1.09 0.00 0.00 33.01 32.21 2c3h s GLN 83 CO 0.00 -0.35 0.51 -0.25 -1.32 0.00 0.00 175.29 173.88 2c3h n ASP 84 N -0.24 -1.14 0.00 12.60 10.43 -1.26 -4.94 116.55 132.00 2c3h n ASP 84 Ca -0.08 0.69 0.00 0.00 2.57 0.00 0.00 54.79 57.97 2c3h n ASP 84 Cb 0.62 -1.18 0.00 0.00 1.84 0.00 0.00 41.12 42.40 2c3h n ASP 84 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2c3h n GLY 85 N 1.77 0.00 3.33 0.44 0.00 -1.23 -4.68 105.19 104.83 2c3h n GLY 85 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 2c3h n GLY 85 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2c3h s TRP 86 N 0.00 3.07 -0.23 1.61 0.52 -0.38 0.12 118.94 123.65 2c3h s TRP 86 Ca 0.00 -0.94 -0.00 0.00 0.02 0.00 0.00 56.10 55.18 2c3h s TRP 86 Cb 0.00 -2.18 0.03 0.00 -1.15 0.00 0.00 33.47 30.17 2c3h s TRP 86 CO 0.00 -0.55 -0.10 0.12 0.02 0.00 0.00 176.95 176.44 2c3h s PHE 87 N 1.49 3.02 -0.14 -1.98 5.36 -0.77 -0.51 117.98 124.44 2c3h s PHE 87 Ca 0.04 -1.65 0.16 0.00 -0.96 0.00 0.00 56.93 54.52 2c3h s PHE 87 Cb -0.16 -2.01 0.31 0.00 -0.34 0.00 0.00 43.02 40.82 2c3h s PHE 87 CO -0.00 -0.76 1.16 -0.40 -1.46 0.00 0.00 175.22 173.76 2c3h n ASP 88 N 4.63 2.04 0.00 6.13 3.85 -1.26 -1.47 116.55 130.46 2c3h n ASP 88 Ca -0.17 -3.20 0.00 0.00 -0.71 0.00 0.00 54.79 50.70 2c3h n ASP 88 Cb 0.47 -0.44 0.00 0.00 -1.35 0.00 0.00 41.12 39.80 2c3h n ASP 88 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2c3h n GLY 89 N -1.24 2.60 3.11 6.12 0.00 -1.26 -4.99 105.19 109.52 2c3h n GLY 89 Ca 0.16 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.10 2c3h n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2c3h s GLU 90 N -0.31 0.67 0.13 1.61 0.41 -1.26 -5.16 118.70 114.79 2c3h s GLU 90 Ca 0.00 -1.26 -0.16 0.00 -0.41 0.00 0.00 54.97 53.15 2c3h s GLU 90 Cb 0.00 0.15 -0.07 0.00 -1.78 0.00 0.00 34.13 32.44 2c3h s GLU 90 CO 0.00 -0.11 0.56 -1.58 -0.49 0.00 0.00 175.26 173.64 2c3h s TRP 91 N -3.89 3.66 0.01 1.61 0.52 -1.26 -4.34 118.94 115.25 2c3h s TRP 91 Ca 0.09 1.12 0.01 0.00 0.02 0.00 0.00 56.10 57.34 2c3h s TRP 91 Cb 0.08 -2.41 -0.01 0.00 -1.15 0.00 0.00 33.47 29.98 2c3h s TRP 91 CO -0.08 0.47 -0.04 -1.01 0.02 0.00 0.00 176.95 176.31 2c3h s HIS 92 N -1.38 0.31 0.10 -1.98 3.76 0.33 -5.00 115.29 111.42 2c3h s HIS 92 Ca 0.36 -0.28 0.11 0.00 -0.15 0.00 0.00 55.06 55.09 2c3h s HIS 92 Cb -0.16 -0.20 0.06 0.00 1.11 0.00 0.00 32.58 33.39 2c3h s HIS 92 CO 0.19 -0.08 1.43 -0.39 -0.85 0.00 0.00 174.74 175.05 2c3h h VAL 93 N 4.84 1.38 -3.03 -0.90 -1.51 -1.86 -1.00 116.25 114.16 2c3h h VAL 93 Ca -0.30 -2.69 -0.54 0.00 -1.23 0.00 0.00 66.70 61.95 2c3h h VAL 93 Cb 1.20 2.51 -0.17 0.00 -2.13 0.00 0.00 31.29 32.71 2c3h h VAL 93 CO 0.46 0.73 -0.77 -1.81 -1.23 0.00 0.00 177.57 174.94 2c3h s ASP 94 N -6.65 2.89 -0.17 4.19 1.01 -1.26 -4.57 116.67 112.11 2c3h s ASP 94 Ca 0.01 -0.92 -0.34 0.00 0.71 0.00 0.00 52.55 52.01 2c3h s ASP 94 Cb 0.10 -0.19 -0.11 0.00 1.01 0.00 0.00 42.92 43.73 2c3h s ASP 94 CO 0.78 -0.03 1.98 -1.14 0.21 0.00 0.00 175.17 176.97 2c3h n ARG 95 N 0.01 1.85 0.00 8.23 0.63 -1.26 -4.85 116.66 121.27 2c3h n ARG 95 Ca -0.11 0.63 0.11 0.00 -0.92 0.00 0.00 57.85 57.57 2c3h n ARG 95 Cb 0.58 -2.64 0.67 0.00 0.45 0.00 0.00 32.46 31.52 2c3h n ARG 95 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77