#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c3h n SER 4 N 0.00 0.00 0.00 0.00 3.41 -1.26 -4.16 113.62 111.61 2c3h n SER 4 Ca 0.00 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 2c3h n SER 4 Cb 0.00 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 2c3h n SER 4 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2c3h n GLY 5 N -0.36 1.28 3.07 5.00 0.00 -1.21 -4.42 105.19 108.54 2c3h n GLY 5 Ca 0.05 -2.24 -0.30 0.00 0.00 0.00 0.00 46.02 43.53 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 1.82 -0.19 0.99 1.02 -0.80 -4.79 118.68 116.73 2c3h s LEU 6 Ca 0.00 -0.50 -0.09 0.00 0.02 0.00 0.00 54.13 53.56 2c3h s LEU 6 Cb 0.00 -1.22 -0.05 0.00 0.02 0.00 0.00 46.19 44.94 2c3h s LEU 6 CO 0.00 -0.00 0.11 -0.89 0.02 0.00 0.00 176.35 175.59 2c3h s THR 7 N 1.16 5.23 -0.01 5.49 2.01 -1.26 -0.42 115.64 127.85 2c3h s THR 7 Ca -0.01 0.12 0.04 0.00 0.31 0.00 0.00 61.69 62.15 2c3h s THR 7 Cb -0.14 -3.37 -0.01 0.00 0.01 0.00 0.00 72.50 68.99 2c3h s THR 7 CO -0.06 0.46 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.56 2c3h s ILE 8 N 0.24 1.12 0.03 1.82 1.09 -0.43 -3.93 121.20 121.13 2c3h s ILE 8 Ca 0.07 -0.62 0.08 0.00 -1.10 0.00 0.00 60.65 59.08 2c3h s ILE 8 Cb -0.11 -0.94 -0.03 0.00 -1.06 0.00 0.00 42.46 40.32 2c3h s ILE 8 CO -0.01 0.30 -0.25 -0.31 -0.10 0.00 0.00 174.94 174.58 2c3h s TYR 9 N -0.36 2.18 -0.06 3.97 2.02 0.18 -1.69 117.35 123.59 2c3h s TYR 9 Ca 0.05 -0.40 -0.02 0.00 -0.37 0.00 0.00 57.07 56.32 2c3h s TYR 9 Cb -0.06 -1.33 0.04 0.00 -0.40 0.00 0.00 41.96 40.22 2c3h s TYR 9 CO -0.00 0.08 0.12 0.12 -1.57 0.00 0.00 175.55 174.30 2c3h s PHE 10 N -0.75 -0.12 -0.47 2.71 5.36 -0.25 -0.56 117.98 123.90 2c3h s PHE 10 Ca 0.10 0.44 -0.21 0.00 -0.96 0.00 0.00 56.93 56.30 2c3h s PHE 10 Cb -0.10 -0.19 0.03 0.00 -0.34 0.00 0.00 43.02 42.43 2c3h s PHE 10 CO 0.01 -0.18 0.71 0.21 -1.46 0.00 0.00 175.22 174.51 2c3h s LYS 11 N 1.53 3.27 0.04 10.12 2.20 -0.62 -0.96 119.74 135.32 2c3h s LYS 11 Ca -0.05 -0.42 -0.30 0.00 -0.36 0.00 0.00 55.97 54.84 2c3h s LYS 11 Cb -0.12 -4.00 -0.08 0.00 -1.51 0.00 0.00 37.83 32.12 2c3h s LYS 11 CO -0.05 -1.15 1.72 0.21 -0.36 0.00 0.00 175.35 175.72 2c3h s LYS 12 N 3.04 4.18 0.45 4.03 2.20 -0.45 -4.85 119.74 128.33 2c3h s LYS 12 Ca 0.23 2.37 -0.24 0.00 -0.36 0.00 0.00 55.97 57.98 2c3h s LYS 12 Cb -0.15 -3.77 -0.08 0.00 -1.51 0.00 0.00 37.83 32.33 2c3h s LYS 12 CO 0.18 -0.80 1.29 -2.14 -0.36 0.00 0.00 175.35 173.52 2c3h s PRO 13 N 3.23 3.75 0.48 4.03 0.02 -1.26 -4.89 135.00 140.36 2c3h s PRO 13 Ca 0.77 2.10 0.20 0.00 0.02 0.00 0.00 61.00 64.08 2c3h s PRO 13 Cb -0.40 -2.58 1.21 0.00 0.02 0.00 0.00 34.50 32.76 2c3h s PRO 13 CO 0.34 -0.65 1.97 -0.44 -0.33 0.00 0.00 177.00 177.88 2c3h h ASP 14 N 2.29 0.20 0.89 2.53 3.45 -2.00 -0.83 116.42 122.95 2c3h h ASP 14 Ca -0.50 0.01 -0.00 0.00 0.43 0.00 0.00 57.03 56.97 2c3h h ASP 14 Cb 1.26 -0.03 -0.00 0.00 -0.56 0.00 0.00 39.33 40.00 2c3h h ASP 14 CO 0.61 0.11 -0.01 0.77 -1.57 0.00 0.00 179.24 179.15 2c3h h SER 15 N 0.21 0.00 -4.01 6.45 4.64 -2.04 -3.45 113.55 115.36 2c3h h SER 15 Ca 0.29 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 61.16 2c3h h SER 15 Cb 0.85 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.92 2c3h h SER 15 CO -0.05 0.01 0.30 0.26 -0.87 0.00 0.00 176.83 176.48 2c3h s TRP 16 N -3.73 3.33 0.00 4.77 0.52 -0.32 -5.07 118.94 118.43 2c3h s TRP 16 Ca 0.00 1.54 0.00 0.00 0.02 0.00 0.00 56.10 57.66 2c3h s TRP 16 Cb 0.09 -2.80 0.00 0.00 -1.15 0.00 0.00 33.47 29.62 2c3h s TRP 16 CO 0.53 -0.09 0.00 0.41 0.02 0.00 0.00 176.95 177.82 2c3h n GLY 17 N -0.64 -1.33 3.66 0.98 0.00 -1.26 -4.93 105.19 101.67 2c3h n GLY 17 Ca 0.06 -1.63 -0.49 0.00 0.00 0.00 0.00 46.02 43.97 2c3h n GLY 17 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2c3h n THR 18 N -1.89 0.20 -2.14 2.61 -1.04 -1.26 -4.81 114.28 105.95 2c3h n THR 18 Ca 0.00 -0.04 -0.41 0.00 -2.04 0.00 0.00 64.05 61.57 2c3h n THR 18 Cb 0.00 -1.48 -0.02 0.00 -1.82 0.00 0.00 70.33 67.00 2c3h n THR 18 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2c3h s PRO 19 N 2.02 4.37 0.27 -2.82 0.02 -1.26 -4.25 135.00 133.35 2c3h s PRO 19 Ca 0.86 2.18 0.10 0.00 0.02 0.00 0.00 61.00 64.16 2c3h s PRO 19 Cb -0.77 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 30.63 2c3h s PRO 19 CO 0.46 -0.16 -0.05 -1.01 -0.33 0.00 0.00 177.00 175.91 2c3h s HIS 20 N -1.15 2.59 -0.31 6.54 3.76 0.21 -0.95 115.29 125.99 2c3h s HIS 20 Ca 0.49 -0.26 -0.02 0.00 -0.15 0.00 0.00 55.06 55.12 2c3h s HIS 20 Cb -0.39 -1.16 0.06 0.00 1.11 0.00 0.00 32.58 32.20 2c3h s HIS 20 CO 0.52 0.64 0.02 -1.17 -0.85 0.00 0.00 174.74 173.90 2c3h s LEU 21 N -3.64 4.07 0.09 0.89 2.96 -0.12 -1.93 118.68 120.99 2c3h s LEU 21 Ca 0.31 -1.37 -0.14 0.00 -0.22 0.00 0.00 54.13 52.71 2c3h s LEU 21 Cb -0.06 -1.72 -0.06 0.00 0.50 0.00 0.00 46.19 44.85 2c3h s LEU 21 CO 0.19 -0.29 0.48 -0.47 -1.32 0.00 0.00 176.35 174.94 2c3h s TYR 22 N 1.23 3.66 -0.19 5.38 5.04 0.16 -3.69 117.35 128.93 2c3h s TYR 22 Ca -0.03 1.01 -0.19 0.00 -2.44 0.00 0.00 57.07 55.42 2c3h s TYR 22 Cb -0.20 -2.32 0.05 0.00 0.35 0.00 0.00 41.96 39.85 2c3h s TYR 22 CO -0.02 0.52 0.53 1.52 -1.34 0.00 0.00 175.55 176.77 2c3h s TYR 23 N -1.31 -0.58 0.00 4.97 1.13 -1.26 -1.19 117.35 119.11 2c3h s TYR 23 Ca 0.32 1.40 0.00 0.00 -1.41 0.00 0.00 57.07 57.38 2c3h s TYR 23 Cb -0.16 0.20 0.00 0.00 -1.10 0.00 0.00 41.96 40.91 2c3h s TYR 23 CO 0.17 -0.30 0.00 2.48 -2.51 0.00 0.00 175.55 175.40 2c3h n TYR 24 N 2.69 0.00 -4.19 -3.49 4.11 -0.09 -4.26 117.16 111.93 2c3h n TYR 24 Ca -0.14 0.00 -0.36 0.00 -0.00 0.00 0.00 57.90 57.40 2c3h n TYR 24 Cb 0.56 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.85 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 -0.80 -1.02 -4.73 9.48 8.00 -1.26 -0.43 116.55 125.79 2c3h n ASP 25 Ca 0.00 -1.25 -0.41 0.00 0.71 0.00 0.00 54.79 53.83 2c3h n ASP 25 Cb 0.00 -1.81 -0.04 0.00 -0.02 0.00 0.00 41.12 39.25 2c3h n ASP 25 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2c3h s THR 26 N -4.04 4.53 -0.11 -3.53 -4.23 -1.26 -3.93 115.64 103.07 2c3h s THR 26 Ca 0.18 2.07 0.01 0.00 -1.18 0.00 0.00 61.69 62.77 2c3h s THR 26 Cb -0.10 -4.32 0.02 0.00 1.34 0.00 0.00 72.50 69.44 2c3h s THR 26 CO 0.98 0.30 -0.14 0.21 -0.54 0.00 0.00 174.62 175.43 2c3h s ASN 27 N 0.09 2.39 0.87 3.99 2.47 -0.74 -3.03 114.94 120.99 2c3h s ASN 27 Ca 0.47 -0.41 -0.11 0.00 0.42 0.00 0.00 52.86 53.24 2c3h s ASN 27 Cb -0.23 -1.05 0.12 0.00 -1.45 0.00 0.00 41.25 38.63 2c3h s ASN 27 CO 0.30 -0.01 1.11 -2.84 -3.72 0.00 0.00 177.10 171.94 2c3h s PRO 28 N 1.09 1.39 0.10 0.43 0.02 -1.26 0.26 135.00 137.03 2c3h s PRO 28 Ca -0.05 1.25 -0.31 0.00 0.02 0.00 0.00 61.00 61.91 2c3h s PRO 28 Cb -0.14 -1.79 -0.09 0.00 0.02 0.00 0.00 34.50 32.50 2c3h s PRO 28 CO -0.03 -2.27 1.60 0.21 -0.33 0.00 0.00 177.00 176.17 2c3h s LYS 29 N -4.78 4.22 0.11 5.54 2.47 -1.17 -4.72 119.74 121.40 2c3h s LYS 29 Ca 0.64 2.30 0.03 0.00 -1.56 0.00 0.00 55.97 57.38 2c3h s LYS 29 Cb -0.20 -3.44 -0.04 0.00 -1.46 0.00 0.00 37.83 32.69 2c3h s LYS 29 CO 0.58 -0.67 -0.08 0.54 0.16 0.00 0.00 175.35 175.88 2c3h s VAL 30 N 2.08 0.82 0.10 4.02 0.11 -1.26 -5.08 120.40 121.19 2c3h s VAL 30 Ca 0.72 -1.87 -0.36 0.00 -2.93 0.00 0.00 61.98 57.53 2c3h s VAL 30 Cb -0.40 -1.61 -0.16 0.00 -1.53 0.00 0.00 36.38 32.67 2c3h s VAL 30 CO 0.31 -0.78 1.36 0.47 -3.33 0.00 0.00 175.10 173.14 2c3h n ASP 31 N 0.09 1.83 -4.19 3.54 8.00 -1.26 -4.87 116.55 119.68 2c3h n ASP 31 Ca -0.13 1.12 -0.33 0.00 0.71 0.00 0.00 54.79 56.16 2c3h n ASP 31 Cb 0.60 -1.22 -0.16 0.00 -0.02 0.00 0.00 41.12 40.32 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 0.50 3.08 0.24 -1.24 2.02 -1.26 -5.09 118.70 116.95 2c3h s GLU 32 Ca 0.83 -0.82 -0.30 0.00 0.02 0.00 0.00 54.97 54.70 2c3h s GLU 32 Cb -0.91 -2.50 -0.09 0.00 0.10 0.00 0.00 34.13 30.73 2c3h s GLU 32 CO 0.46 -0.02 1.11 -1.25 0.02 0.00 0.00 175.26 175.58 2c3h s PRO 33 N 0.85 4.62 0.57 0.39 0.04 -1.26 -5.02 135.00 135.18 2c3h s PRO 33 Ca -0.06 1.79 -0.18 0.00 0.04 0.00 0.00 61.00 62.59 2c3h s PRO 33 Cb -0.15 -3.22 -0.09 0.00 0.04 0.00 0.00 34.50 31.07 2c3h s PRO 33 CO -0.02 0.15 0.42 2.41 0.04 0.00 0.00 177.00 180.00 2c3h n THR 34 N 1.63 1.88 -0.36 1.26 -1.04 -1.26 -4.68 114.28 111.71 2c3h n THR 34 Ca 0.00 -0.49 -0.05 0.00 -2.04 0.00 0.00 64.05 61.46 2c3h n THR 34 Cb 0.45 -0.58 -0.02 0.00 -1.82 0.00 0.00 70.33 68.37 2c3h n THR 34 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 2c3h h TRP 35 N 0.16 -1.38 0.00 -1.42 -0.00 -1.98 -0.65 115.95 110.69 2c3h h TRP 35 Ca -0.45 0.11 0.00 0.00 -0.00 0.00 0.00 58.89 58.55 2c3h h TRP 35 Cb 1.40 0.73 0.00 0.00 -0.00 0.00 0.00 29.16 31.30 2c3h h TRP 35 CO 0.30 -0.40 0.00 -1.13 -0.00 0.00 0.00 178.44 177.21 2c3h n SER 36 N -5.39 0.13 -0.82 2.65 3.41 -1.26 -2.50 113.62 109.84 2c3h n SER 36 Ca 0.06 0.52 0.08 0.00 -0.26 0.00 0.00 58.87 59.27 2c3h n SER 36 Cb 0.35 -0.55 0.16 0.00 -0.26 0.00 0.00 64.21 63.90 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 -1.63 2.15 -1.66 4.33 1.02 -0.60 -5.01 120.64 119.24 2c3h n GLU 37 Ca 0.06 -1.96 -0.46 0.00 -0.02 0.00 0.00 57.16 54.79 2c3h n GLU 37 Cb 0.32 -1.36 -0.04 0.00 -0.02 0.00 0.00 31.44 30.34 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 0.97 1.05 -1.75 0.62 0.00 -0.35 -4.80 120.51 116.25 2c3h n ALA 38 Ca 0.14 0.43 -0.38 0.00 0.00 0.00 0.00 53.44 53.64 2c3h n ALA 38 Cb 0.47 -2.29 0.04 0.00 0.00 0.00 0.00 19.45 17.67 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 0.21 3.09 0.21 0.00 0.04 -1.24 -4.62 135.00 132.70 2c3h s PRO 39 Ca 0.74 2.12 -0.30 0.00 0.04 0.00 0.00 61.00 63.60 2c3h s PRO 39 Cb -0.69 -2.17 -0.09 0.00 0.04 0.00 0.00 34.50 31.59 2c3h s PRO 39 CO 0.44 -1.19 1.37 -2.00 0.04 0.00 0.00 177.00 175.66 2c3h s GLU 40 N -3.01 4.33 0.09 4.56 2.12 -1.26 -0.94 118.70 124.59 2c3h s GLU 40 Ca 0.73 2.16 -0.30 0.00 0.36 0.00 0.00 54.97 57.92 2c3h s GLU 40 Cb -0.38 -3.16 -0.05 0.00 0.26 0.00 0.00 34.13 30.80 2c3h s GLU 40 CO 0.44 -0.34 1.01 -1.64 -0.54 0.00 0.00 175.26 174.18 2c3h s MET 41 N -0.10 4.62 0.39 4.30 -1.94 -0.13 -4.86 119.30 121.59 2c3h s MET 41 Ca 0.59 1.51 -0.26 0.00 -1.71 0.00 0.00 55.69 55.82 2c3h s MET 41 Cb -0.39 -3.38 -0.09 0.00 2.01 0.00 0.00 34.83 32.98 2c3h s MET 41 CO 0.39 0.08 1.24 -1.21 -0.01 0.00 0.00 175.02 175.51 2c3h s GLU 42 N 0.30 4.07 0.05 2.03 8.01 0.17 -4.69 118.70 128.63 2c3h s GLU 42 Ca 0.50 2.01 -0.31 0.00 0.01 0.00 0.00 54.97 57.18 2c3h s GLU 42 Cb -0.24 -2.77 -0.07 0.00 -4.31 0.00 0.00 34.13 26.74 2c3h s GLU 42 CO 0.30 -0.36 1.43 -1.58 0.01 0.00 0.00 175.26 175.06 2c3h s HIS 43 N -1.31 2.93 -0.03 1.61 5.65 -1.26 0.52 115.29 123.40 2c3h s HIS 43 Ca 0.56 0.80 -0.03 0.00 0.25 0.00 0.00 55.06 56.63 2c3h s HIS 43 Cb -0.35 -3.71 -0.01 0.00 -1.18 0.00 0.00 32.58 27.33 2c3h s HIS 43 CO 0.45 -2.62 -0.06 0.98 -0.65 0.00 0.00 174.74 172.84 2c3h n TYR 44 N 4.92 0.00 -3.56 3.88 9.36 0.15 -4.86 117.16 127.05 2c3h n TYR 44 Ca 0.13 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 61.20 2c3h n TYR 44 Cb 0.43 -0.09 -0.06 0.00 -0.63 0.00 0.00 39.34 38.98 2c3h n TYR 44 CO 0.00 0.00 0.00 -1.83 0.22 0.00 0.00 176.86 175.25 2c3h s GLU 45 N -1.38 0.87 7.99 2.98 -1.05 -0.97 -5.02 118.70 122.12 2c3h s GLU 45 Ca -0.05 0.37 0.00 0.00 -0.15 0.00 0.00 54.97 55.13 2c3h s GLU 45 Cb 0.01 0.42 0.00 0.00 -0.44 0.00 0.00 34.13 34.11 2c3h s GLU 45 CO 0.08 -0.24 0.00 0.41 0.95 0.00 0.00 175.26 176.46 2c3h n GLY 46 N 1.22 4.24 0.10 -3.83 0.00 -1.26 -0.38 105.19 105.28 2c3h n GLY 46 Ca -0.16 0.10 0.12 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 8.40 0.71 -4.72 1.61 8.00 -1.26 -4.90 116.55 124.38 2c3h n ASP 47 Ca 0.00 -0.51 -0.40 0.00 0.71 0.00 0.00 54.79 54.59 2c3h n ASP 47 Cb 0.00 0.20 -0.04 0.00 -0.02 0.00 0.00 41.12 41.25 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 -2.79 3.64 0.29 1.24 0.52 0.49 -1.34 118.94 120.99 2c3h s TRP 48 Ca 0.17 1.44 0.11 0.00 0.02 0.00 0.00 56.10 57.83 2c3h s TRP 48 Cb 0.18 -2.91 -0.05 0.00 -1.15 0.00 0.00 33.47 29.54 2c3h s TRP 48 CO 0.62 0.09 -0.13 0.71 0.02 0.00 0.00 176.95 178.27 2c3h s TYR 49 N 0.69 2.40 0.05 -1.98 2.02 -0.14 0.32 117.35 120.72 2c3h s TYR 49 Ca 0.42 -0.34 -0.11 0.00 -0.37 0.00 0.00 57.07 56.67 2c3h s TYR 49 Cb -0.19 -1.12 0.01 0.00 -0.40 0.00 0.00 41.96 40.26 2c3h s TYR 49 CO 0.22 0.66 0.25 -0.08 -1.57 0.00 0.00 175.55 175.03 2c3h s THR 50 N -2.49 0.10 -0.28 -0.71 -1.32 0.18 -1.09 115.64 110.04 2c3h s THR 50 Ca 0.31 -0.84 -0.22 0.00 -1.21 0.00 0.00 61.69 59.72 2c3h s THR 50 Cb -0.04 -1.01 0.11 0.00 -1.51 0.00 0.00 72.50 70.05 2c3h s THR 50 CO 0.16 -0.46 0.92 -2.28 -2.21 0.00 0.00 174.62 170.75 2c3h s HIS 51 N -2.86 -0.62 -0.21 9.09 5.04 -0.68 0.41 115.29 125.46 2c3h s HIS 51 Ca -0.03 1.42 -0.09 0.00 -1.54 0.00 0.00 55.06 54.82 2c3h s HIS 51 Cb 0.00 0.37 -0.05 0.00 0.04 0.00 0.00 32.58 32.95 2c3h s HIS 51 CO -0.05 -0.30 0.11 0.99 -2.34 0.00 0.00 174.74 173.15 2c3h s THR 52 N 0.60 5.09 -0.48 0.89 2.01 -1.26 -1.32 115.64 121.18 2c3h s THR 52 Ca -0.01 0.08 -0.20 0.00 0.31 0.00 0.00 61.69 61.87 2c3h s THR 52 Cb -0.05 -3.34 0.04 0.00 0.01 0.00 0.00 72.50 69.16 2c3h s THR 52 CO -0.08 0.40 0.63 -0.63 -0.69 0.00 0.00 174.62 174.25 2c3h s ILE 53 N 0.75 4.85 0.52 1.82 1.01 0.44 -4.93 121.20 125.66 2c3h s ILE 53 Ca 0.06 -0.24 -0.20 0.00 0.00 0.00 0.00 60.65 60.27 2c3h s ILE 53 Cb -0.13 -4.26 -0.07 0.00 0.01 0.00 0.00 42.46 38.01 2c3h s ILE 53 CO 0.02 -0.72 1.07 -1.61 0.00 0.00 0.00 174.94 173.70 2c3h s GLU 54 N 2.72 3.60 0.00 2.79 0.41 -1.26 -1.90 118.70 125.06 2c3h s GLU 54 Ca 0.18 1.43 0.00 0.00 -0.41 0.00 0.00 54.97 56.17 2c3h s GLU 54 Cb -0.17 -2.06 0.00 0.00 -1.78 0.00 0.00 34.13 30.12 2c3h s GLU 54 CO 0.15 -0.61 0.00 0.41 -0.49 0.00 0.00 175.26 174.72 2c3h n GLY 55 N -0.18 0.38 3.08 -1.39 0.00 -1.26 -4.88 105.19 100.94 2c3h n GLY 55 Ca 0.10 -1.08 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 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 0.57 -0.11 1.61 0.11 -1.26 -4.28 120.40 115.03 2c3h s VAL 56 Ca 0.00 -1.22 0.06 0.00 -2.93 0.00 0.00 61.98 57.88 2c3h s VAL 56 Cb 0.00 -0.79 -0.11 0.00 -1.53 0.00 0.00 36.38 33.96 2c3h s VAL 56 CO 0.00 -0.46 -0.03 1.21 -3.33 0.00 0.00 175.10 172.49 2c3h n GLU 57 N 1.21 1.55 -3.87 1.54 0.00 0.14 -3.35 120.64 117.86 2c3h n GLU 57 Ca -0.21 0.03 -0.09 0.00 0.00 0.00 0.00 57.16 56.88 2c3h n GLU 57 Cb 0.56 -1.25 -0.05 0.00 0.00 0.00 0.00 31.44 30.69 2c3h n GLU 57 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 2c3h s SER 58 N -4.63 -0.13 -0.19 4.31 1.04 -0.95 -2.93 113.70 110.22 2c3h s SER 58 Ca -0.10 -0.70 -0.28 0.00 0.48 0.00 0.00 55.95 55.34 2c3h s SER 58 Cb 0.04 0.54 0.12 0.00 0.10 0.00 0.00 66.02 66.82 2c3h s SER 58 CO 0.36 -1.03 0.99 0.54 0.98 0.00 0.00 173.24 175.08 2c3h s VAL 59 N -3.94 0.00 -0.13 5.02 0.11 0.32 -1.80 120.40 119.98 2c3h s VAL 59 Ca 0.15 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 59.13 2c3h s VAL 59 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 2c3h s VAL 59 CO 0.01 0.00 0.09 -0.13 -3.33 0.00 0.00 175.10 171.74 2c3h s ARG 60 N -0.67 3.50 0.02 1.54 0.52 0.43 -1.79 118.95 122.50 2c3h s ARG 60 Ca -0.01 -0.24 0.00 0.00 -0.52 0.00 0.00 55.73 54.96 2c3h s ARG 60 Cb -0.02 -3.13 -0.02 0.00 0.52 0.00 0.00 34.95 32.31 2c3h s ARG 60 CO -0.00 0.63 -0.03 -0.48 0.02 0.00 0.00 175.30 175.44 2c3h s LEU 61 N -0.62 2.20 0.01 2.53 0.05 -0.09 -0.91 118.68 121.85 2c3h s LEU 61 Ca 0.12 -0.42 0.01 0.00 0.05 0.00 0.00 54.13 53.89 2c3h s LEU 61 Cb -0.12 0.08 -0.01 0.00 -2.05 0.00 0.00 46.19 44.09 2c3h s LEU 61 CO 0.02 -0.25 -0.03 -0.76 -0.55 0.00 0.00 176.35 174.78 2c3h s LEU 62 N -1.22 2.12 0.12 1.48 1.02 -0.33 -0.11 118.68 121.76 2c3h s LEU 62 Ca -0.13 -0.27 -0.06 0.00 0.02 0.00 0.00 54.13 53.68 2c3h s LEU 62 Cb -0.08 -0.05 -0.06 0.00 0.02 0.00 0.00 46.19 46.02 2c3h s LEU 62 CO -0.01 -0.12 0.38 -0.36 0.02 0.00 0.00 176.35 176.26 2c3h s PHE 63 N -0.73 3.51 0.23 0.29 0.08 0.20 -0.67 117.98 120.90 2c3h s PHE 63 Ca -0.06 0.62 -0.18 0.00 0.12 0.00 0.00 56.93 57.43 2c3h s PHE 63 Cb -0.05 -2.05 0.02 0.00 -0.57 0.00 0.00 43.02 40.37 2c3h s PHE 63 CO -0.00 0.46 0.58 -1.59 -0.10 0.00 0.00 175.22 174.57 2c3h s LYS 64 N -2.41 1.54 0.07 0.44 -2.85 -0.81 -0.53 119.74 115.18 2c3h s LYS 64 Ca 0.38 -0.96 0.00 0.00 -1.00 0.00 0.00 55.97 54.39 2c3h s LYS 64 Cb -0.13 0.54 0.00 0.00 -2.06 0.00 0.00 37.83 36.19 2c3h s LYS 64 CO 0.22 -0.67 0.04 -0.40 0.10 0.00 0.00 175.35 174.64 2c3h n ASP 65 N -0.39 1.43 0.00 0.03 5.68 -1.01 0.68 116.55 122.97 2c3h n ASP 65 Ca -0.07 -1.24 0.15 0.00 -0.50 0.00 0.00 54.79 53.13 2c3h n ASP 65 Cb 0.61 0.01 0.86 0.00 -1.14 0.00 0.00 41.12 41.46 2c3h n ASP 65 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2c3h n ARG 66 N -0.54 0.80 0.00 0.11 1.74 -1.26 -4.69 116.66 112.82 2c3h n ARG 66 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2c3h n ARG 66 Cb 0.08 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 2c3h n ARG 66 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2c3h n GLY 67 N 0.99 0.83 0.42 -0.13 0.00 -1.26 -5.02 105.19 101.02 2c3h n GLY 67 Ca 0.20 -0.37 0.04 0.00 0.00 0.00 0.00 46.02 45.89 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 0.88 -2.51 2.61 -2.24 -1.26 -5.00 114.28 106.76 2c3h n THR 68 Ca 0.00 -0.94 -0.41 0.00 -2.27 0.00 0.00 64.05 60.44 2c3h n THR 68 Cb 0.00 0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 68.77 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 -0.96 7.30 0.12 3.42 -0.87 -1.26 -4.98 114.94 117.72 2c3h s ASN 69 Ca 0.15 2.17 -0.17 0.00 -1.57 0.00 0.00 52.86 53.44 2c3h s ASN 69 Cb 0.08 -2.62 0.04 0.00 -0.02 0.00 0.00 41.25 38.73 2c3h s ASN 69 CO 0.11 -0.15 0.42 0.00 -2.57 0.00 0.00 177.10 174.91 2c3h s GLN 70 N -0.97 1.08 -0.26 -0.60 -2.07 -1.26 -2.41 119.66 113.16 2c3h s GLN 70 Ca 0.46 -0.67 -0.05 0.00 -1.82 0.00 0.00 55.36 53.28 2c3h s GLN 70 Cb -0.30 0.48 0.14 0.00 -1.09 0.00 0.00 33.01 32.23 2c3h s GLN 70 CO 0.38 -0.42 0.52 -0.46 -1.32 0.00 0.00 175.29 173.98 2c3h s TRP 71 N -3.75 -1.17 1.22 9.60 -0.11 0.31 -4.31 118.94 120.74 2c3h s TRP 71 Ca 0.02 1.64 -0.18 0.00 1.22 0.00 0.00 56.10 58.80 2c3h s TRP 71 Cb 0.02 0.45 0.29 0.00 -1.50 0.00 0.00 33.47 32.72 2c3h s TRP 71 CO -0.12 -0.69 1.06 -1.25 -4.62 0.00 0.00 176.95 171.33 2c3h s PRO 72 N 2.74 -1.35 0.95 5.86 0.04 -1.26 0.61 135.00 142.58 2c3h s PRO 72 Ca 0.06 0.14 -0.11 0.00 0.04 0.00 0.00 61.00 61.13 2c3h s PRO 72 Cb -0.14 -1.56 0.16 0.00 0.04 0.00 0.00 34.50 33.00 2c3h s PRO 72 CO -0.17 -3.84 1.09 0.20 0.04 0.00 0.00 177.00 174.32 2c3h s GLY 73 N -3.54 1.62 0.17 0.56 0.00 -1.26 -4.76 107.32 100.11 2c3h s GLY 73 Ca 0.69 0.05 -0.34 0.00 0.00 0.00 0.00 44.72 45.13 2c3h s GLY 73 CO 0.58 0.57 1.34 -1.05 0.00 0.00 0.00 173.10 174.54 2c3h n PRO 74 N -4.15 1.55 0.00 2.90 -0.02 -1.26 -0.40 135.00 133.62 2c3h n PRO 74 Ca 0.07 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2c3h n PRO 74 Cb 0.54 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 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 2.43 2.28 3.77 -1.23 0.00 -1.26 -4.98 105.19 106.19 2c3h n GLY 75 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 3.95 0.57 1.61 2.02 0.47 -4.95 118.70 122.36 2c3h s GLU 76 Ca 0.00 2.18 -0.21 0.00 0.02 0.00 0.00 54.97 56.96 2c3h s GLU 76 Cb 0.00 -2.75 -0.04 0.00 0.10 0.00 0.00 34.13 31.44 2c3h s GLU 76 CO 0.00 -0.51 1.32 -1.25 0.02 0.00 0.00 175.26 174.84 2c3h s PRO 77 N -2.25 3.03 0.71 0.39 0.04 -1.26 -4.84 135.00 130.82 2c3h s PRO 77 Ca 0.57 2.14 -0.16 0.00 0.04 0.00 0.00 61.00 63.59 2c3h s PRO 77 Cb -0.38 -2.15 0.03 0.00 0.04 0.00 0.00 34.50 32.03 2c3h s PRO 77 CO 0.49 -1.25 1.25 0.41 0.04 0.00 0.00 177.00 177.95 2c3h n GLY 78 N 0.73 0.30 3.75 0.56 0.00 -1.26 -4.81 105.19 104.47 2c3h n GLY 78 Ca 0.12 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.69 2.89 -0.20 1.61 0.08 0.84 -4.38 117.98 117.14 2c3h s PHE 79 Ca 0.79 0.99 -0.26 0.00 0.12 0.00 0.00 56.93 58.57 2c3h s PHE 79 Cb -0.34 -3.91 -0.01 0.00 -0.57 0.00 0.00 43.02 38.19 2c3h s PHE 79 CO 0.45 -2.94 0.90 0.12 -0.10 0.00 0.00 175.22 173.64 2c3h s PHE 80 N -0.21 3.38 0.02 0.36 5.36 -1.26 -0.91 117.98 124.71 2c3h s PHE 80 Ca 0.59 1.31 -0.00 0.00 -0.96 0.00 0.00 56.93 57.87 2c3h s PHE 80 Cb -0.44 -3.10 -0.02 0.00 -0.34 0.00 0.00 43.02 39.12 2c3h s PHE 80 CO 0.48 -0.34 -0.02 1.03 -1.46 0.00 0.00 175.22 174.91 2c3h s ARG 81 N 2.57 0.30 0.00 10.12 1.81 -0.74 -4.94 118.95 128.07 2c3h s ARG 81 Ca 0.40 -0.57 0.00 0.00 -1.72 0.00 0.00 55.73 53.84 2c3h s ARG 81 Cb -0.16 0.11 0.00 0.00 -0.45 0.00 0.00 34.95 34.45 2c3h s ARG 81 CO 0.10 -0.05 0.00 -3.47 -0.68 0.00 0.00 175.30 171.20 2c3h n ASP 82 N 1.66 0.00 -4.04 0.23 2.03 -1.15 0.12 116.55 115.40 2c3h n ASP 82 Ca -0.23 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 54.97 2c3h n ASP 82 Cb 0.55 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.84 2c3h n ASP 82 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2c3h s GLN 83 N 0.00 0.47 0.18 -0.67 -0.21 -1.26 -4.80 119.66 113.37 2c3h s GLN 83 Ca 0.00 -0.77 -0.28 0.00 0.02 0.00 0.00 55.36 54.33 2c3h s GLN 83 Cb 0.00 -0.10 -0.17 0.00 1.00 0.00 0.00 33.01 33.74 2c3h s GLN 83 CO 0.00 -0.00 0.54 -0.25 -2.12 0.00 0.00 175.29 173.46 2c3h n ASP 84 N 1.32 -1.12 0.00 5.90 10.43 -1.26 -4.87 116.55 126.95 2c3h n ASP 84 Ca -0.22 1.10 0.00 0.00 2.57 0.00 0.00 54.79 58.24 2c3h n ASP 84 Cb 0.56 -0.92 0.00 0.00 1.84 0.00 0.00 41.12 42.60 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 1.90 0.49 3.44 0.44 0.00 -1.25 -4.61 105.19 105.59 2c3h n GLY 85 Ca 0.18 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 3.00 -0.16 1.61 0.52 -0.03 0.49 118.94 124.38 2c3h s TRP 86 Ca 0.00 -0.49 0.00 0.00 0.02 0.00 0.00 56.10 55.63 2c3h s TRP 86 Cb 0.00 -2.03 0.03 0.00 -1.15 0.00 0.00 33.47 30.33 2c3h s TRP 86 CO 0.00 -0.21 -0.10 0.12 0.02 0.00 0.00 176.95 176.78 2c3h s PHE 87 N 0.81 2.00 -0.10 -1.98 5.36 0.27 -0.86 117.98 123.47 2c3h s PHE 87 Ca -0.01 -1.20 0.17 0.00 -0.96 0.00 0.00 56.93 54.93 2c3h s PHE 87 Cb -0.14 -1.47 0.39 0.00 -0.34 0.00 0.00 43.02 41.46 2c3h s PHE 87 CO 0.02 -0.65 1.18 -0.40 -1.46 0.00 0.00 175.22 173.91 2c3h n ASP 88 N 4.80 1.35 0.00 6.13 3.85 -1.26 -1.59 116.55 129.84 2c3h n ASP 88 Ca -0.14 -2.94 0.00 0.00 -0.71 0.00 0.00 54.79 51.00 2c3h n ASP 88 Cb 0.48 -0.41 0.00 0.00 -1.35 0.00 0.00 41.12 39.85 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 -0.39 2.77 3.23 6.12 0.00 -1.26 -5.00 105.19 110.65 2c3h n GLY 89 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.45 1.19 -0.02 1.61 0.41 -1.26 -5.17 118.70 115.02 2c3h s GLU 90 Ca 0.00 -1.61 -0.05 0.00 -0.41 0.00 0.00 54.97 52.90 2c3h s GLU 90 Cb 0.00 0.03 -0.04 0.00 -1.78 0.00 0.00 34.13 32.33 2c3h s GLU 90 CO 0.00 -0.29 0.22 -1.58 -0.49 0.00 0.00 175.26 173.11 2c3h s TRP 91 N -3.94 3.57 -0.04 1.61 0.52 -1.26 -4.18 118.94 115.22 2c3h s TRP 91 Ca 0.33 0.48 -0.06 0.00 0.02 0.00 0.00 56.10 56.87 2c3h s TRP 91 Cb 0.07 -1.92 0.01 0.00 -1.15 0.00 0.00 33.47 30.49 2c3h s TRP 91 CO 0.09 0.64 0.15 -1.01 0.02 0.00 0.00 176.95 176.84 2c3h s HIS 92 N -1.27 -0.11 0.13 -1.98 3.76 -0.04 -5.00 115.29 110.77 2c3h s HIS 92 Ca 0.26 0.27 0.16 0.00 -0.15 0.00 0.00 55.06 55.60 2c3h s HIS 92 Cb -0.13 0.03 0.48 0.00 1.11 0.00 0.00 32.58 34.07 2c3h s HIS 92 CO 0.16 -0.13 1.64 -0.39 -0.85 0.00 0.00 174.74 175.16 2c3h h VAL 93 N 4.75 1.01 0.00 -0.90 -1.51 -1.86 -0.03 116.25 117.70 2c3h h VAL 93 Ca -0.27 -1.84 -0.27 0.00 -1.23 0.00 0.00 66.70 63.10 2c3h h VAL 93 Cb 1.20 2.10 -0.05 0.00 -2.13 0.00 0.00 31.29 32.41 2c3h h VAL 93 CO 0.41 0.46 -1.99 0.47 -1.23 0.00 0.00 177.57 175.69 2c3h n ASP 94 N -3.51 2.46 0.00 4.19 8.00 -1.26 -4.30 116.55 122.13 2c3h n ASP 94 Ca 0.00 -0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.45 2c3h n ASP 94 Cb 0.59 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 2c3h n ASP 94 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2c3h n ARG 95 N -3.12 0.00 0.00 -1.24 3.00 -1.26 -4.93 116.66 109.10 2c3h n ARG 95 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.54 2c3h n ARG 95 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.28 2c3h n ARG 95 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33