#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c3h s LEU 6 N 0.00 1.13 -0.20 0.99 2.96 -0.37 -4.83 118.68 118.37 2c3h s LEU 6 Ca 0.00 -0.45 -0.06 0.00 -0.22 0.00 0.00 54.13 53.40 2c3h s LEU 6 Cb 0.00 -0.69 -0.03 0.00 0.50 0.00 0.00 46.19 45.97 2c3h s LEU 6 CO 0.00 -0.20 0.04 -0.89 -1.32 0.00 0.00 176.35 173.98 2c3h s THR 7 N 1.80 4.42 -0.03 3.68 2.01 -1.26 -0.34 115.64 125.91 2c3h s THR 7 Ca 0.02 -0.16 0.04 0.00 0.31 0.00 0.00 61.69 61.91 2c3h s THR 7 Cb -0.14 -3.00 -0.00 0.00 0.01 0.00 0.00 72.50 69.36 2c3h s THR 7 CO -0.07 0.43 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.52 2c3h s ILE 8 N 0.75 1.19 -0.06 1.82 1.09 -0.01 -4.22 121.20 121.77 2c3h s ILE 8 Ca 0.02 -0.60 0.06 0.00 -1.10 0.00 0.00 60.65 59.03 2c3h s ILE 8 Cb -0.14 -1.03 -0.01 0.00 -1.06 0.00 0.00 42.46 40.23 2c3h s ILE 8 CO 0.02 0.35 -0.24 -0.31 -0.10 0.00 0.00 174.94 174.65 2c3h s TYR 9 N -0.02 2.46 -0.03 3.97 2.02 0.17 -0.43 117.35 125.49 2c3h s TYR 9 Ca -0.01 -0.73 0.01 0.00 -0.37 0.00 0.00 57.07 55.97 2c3h s TYR 9 Cb -0.09 -1.61 0.01 0.00 -0.40 0.00 0.00 41.96 39.87 2c3h s TYR 9 CO 0.01 -0.22 -0.05 0.12 -1.57 0.00 0.00 175.55 173.84 2c3h s PHE 10 N -0.13 0.67 -0.52 2.71 5.36 -0.41 -0.07 117.98 125.60 2c3h s PHE 10 Ca -0.04 -0.16 -0.24 0.00 -0.96 0.00 0.00 56.93 55.52 2c3h s PHE 10 Cb -0.14 -0.56 0.04 0.00 -0.34 0.00 0.00 43.02 42.02 2c3h s PHE 10 CO 0.04 -0.13 0.90 0.21 -1.46 0.00 0.00 175.22 174.78 2c3h s LYS 11 N 0.59 3.37 0.15 10.12 2.20 -0.52 -1.26 119.74 134.40 2c3h s LYS 11 Ca -0.08 -0.18 -0.32 0.00 -0.36 0.00 0.00 55.97 55.04 2c3h s LYS 11 Cb -0.11 -4.01 -0.11 0.00 -1.51 0.00 0.00 37.83 32.08 2c3h s LYS 11 CO 0.00 -1.37 1.79 1.17 -0.36 0.00 0.00 175.35 176.59 2c3h n LYS 12 N 7.24 2.74 -2.01 4.03 4.81 -0.05 -4.87 118.16 130.04 2c3h n LYS 12 Ca 0.02 0.99 -0.35 0.00 -0.87 0.00 0.00 58.31 58.11 2c3h n LYS 12 Cb 0.48 -2.87 0.03 0.00 0.02 0.00 0.00 35.03 32.69 2c3h n LYS 12 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 2c3h s PRO 13 N 2.19 3.01 0.26 1.64 0.02 -1.26 -4.93 135.00 135.93 2c3h s PRO 13 Ca 0.80 1.70 -0.03 0.00 0.02 0.00 0.00 61.00 63.49 2c3h s PRO 13 Cb -0.50 -1.95 0.42 0.00 0.02 0.00 0.00 34.50 32.49 2c3h s PRO 13 CO 0.36 -1.15 1.85 -0.44 -0.33 0.00 0.00 177.00 177.29 2c3h h ASP 14 N 0.78 0.89 1.23 2.53 3.45 -2.00 -2.13 116.42 121.18 2c3h h ASP 14 Ca -0.50 0.03 -0.02 0.00 0.43 0.00 0.00 57.03 56.97 2c3h h ASP 14 Cb 1.28 -0.16 -0.00 0.00 -0.56 0.00 0.00 39.33 39.89 2c3h h ASP 14 CO 0.55 0.54 -0.08 0.77 -1.57 0.00 0.00 179.24 179.45 2c3h h SER 15 N 1.01 0.00 -4.11 6.45 4.64 -2.04 -3.46 113.55 116.04 2c3h h SER 15 Ca 0.43 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 61.28 2c3h h SER 15 Cb 0.28 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.39 2c3h h SER 15 CO -0.21 0.08 0.37 0.26 -0.87 0.00 0.00 176.83 176.46 2c3h s TRP 16 N -3.53 3.13 1.26 4.77 0.52 -0.80 -5.07 118.94 119.21 2c3h s TRP 16 Ca 0.02 1.56 -0.20 0.00 0.02 0.00 0.00 56.10 57.50 2c3h s TRP 16 Cb 0.08 -2.97 0.31 0.00 -1.15 0.00 0.00 33.47 29.74 2c3h s TRP 16 CO 0.60 -0.66 1.08 0.20 0.02 0.00 0.00 176.95 178.20 2c3h s GLY 17 N -2.32 1.56 0.11 0.98 0.00 -1.26 -4.93 107.32 101.46 2c3h s GLY 17 Ca 0.64 -0.99 -0.36 0.00 0.00 0.00 0.00 44.72 44.02 2c3h s GLY 17 CO 0.23 -0.05 1.45 2.41 0.00 0.00 0.00 173.10 177.13 2c3h n THR 18 N -4.96 0.01 -2.25 0.90 -1.04 -1.26 -4.82 114.28 100.86 2c3h n THR 18 Ca 0.14 -0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.78 2c3h n THR 18 Cb 0.60 -1.13 -0.01 0.00 -1.82 0.00 0.00 70.33 67.97 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 0.72 3.72 0.20 -2.82 0.02 -1.26 -4.38 135.00 131.20 2c3h s PRO 19 Ca 0.82 1.77 0.11 0.00 0.02 0.00 0.00 61.00 63.73 2c3h s PRO 19 Cb -0.84 -2.38 -0.04 0.00 0.02 0.00 0.00 34.50 31.26 2c3h s PRO 19 CO 0.43 -0.58 -0.22 -1.01 -0.33 0.00 0.00 177.00 175.29 2c3h s HIS 20 N -1.56 2.33 -0.27 6.54 3.76 0.21 -1.32 115.29 124.99 2c3h s HIS 20 Ca 0.64 -0.34 0.03 0.00 -0.15 0.00 0.00 55.06 55.24 2c3h s HIS 20 Cb -0.28 -1.14 0.06 0.00 1.11 0.00 0.00 32.58 32.33 2c3h s HIS 20 CO 0.34 0.53 -0.08 -1.17 -0.85 0.00 0.00 174.74 173.51 2c3h s LEU 21 N -2.79 3.46 0.07 0.89 2.96 -0.63 -1.46 118.68 121.17 2c3h s LEU 21 Ca 0.22 -1.45 -0.14 0.00 -0.22 0.00 0.00 54.13 52.54 2c3h s LEU 21 Cb -0.08 -1.50 -0.06 0.00 0.50 0.00 0.00 46.19 45.05 2c3h s LEU 21 CO 0.11 -0.22 0.46 -0.47 -1.32 0.00 0.00 176.35 174.91 2c3h s TYR 22 N 1.12 3.67 -0.08 5.38 5.04 -0.34 -3.82 117.35 128.32 2c3h s TYR 22 Ca -0.06 0.99 -0.16 0.00 -2.44 0.00 0.00 57.07 55.40 2c3h s TYR 22 Cb -0.20 -2.30 0.03 0.00 0.35 0.00 0.00 41.96 39.85 2c3h s TYR 22 CO -0.06 0.55 0.39 1.52 -1.34 0.00 0.00 175.55 176.61 2c3h s TYR 23 N -1.27 -0.35 0.12 4.97 1.13 -1.26 -0.84 117.35 119.86 2c3h s TYR 23 Ca 0.31 0.72 0.00 0.00 -1.41 0.00 0.00 57.07 56.69 2c3h s TYR 23 Cb -0.16 0.15 -0.00 0.00 -1.10 0.00 0.00 41.96 40.85 2c3h s TYR 23 CO 0.17 -0.33 0.15 2.48 -2.51 0.00 0.00 175.55 175.51 2c3h n TYR 24 N 1.97 -0.64 -4.27 -3.49 4.11 0.14 -4.60 117.16 110.39 2c3h n TYR 24 Ca -0.17 -0.89 -0.33 0.00 -0.00 0.00 0.00 57.90 56.51 2c3h n TYR 24 Cb 0.57 0.17 -0.06 0.00 -0.00 0.00 0.00 39.34 40.01 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 -2.13 -0.81 -4.76 9.48 8.00 -1.26 -1.50 116.55 123.56 2c3h n ASP 25 Ca 0.01 -1.16 -0.34 0.00 0.71 0.00 0.00 54.79 54.02 2c3h n ASP 25 Cb 0.21 -2.16 0.04 0.00 -0.02 0.00 0.00 41.12 39.19 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 -3.82 3.06 -0.19 -3.53 -4.23 -1.26 -4.24 115.64 101.43 2c3h s THR 26 Ca 0.34 0.54 -0.06 0.00 -1.18 0.00 0.00 61.69 61.32 2c3h s THR 26 Cb -0.19 -3.09 0.09 0.00 1.34 0.00 0.00 72.50 70.65 2c3h s THR 26 CO 0.97 -0.26 0.40 0.21 -0.54 0.00 0.00 174.62 175.40 2c3h s ASN 27 N -2.27 -0.16 0.96 3.99 2.47 -0.58 -3.45 114.94 115.90 2c3h s ASN 27 Ca 0.70 0.90 -0.12 0.00 0.42 0.00 0.00 52.86 54.76 2c3h s ASN 27 Cb -0.23 1.27 0.10 0.00 -1.45 0.00 0.00 41.25 40.93 2c3h s ASN 27 CO 0.38 -0.24 0.72 -0.81 -3.72 0.00 0.00 177.10 173.43 2c3h n PRO 28 N 5.39 -0.52 -1.67 0.43 -0.04 -1.26 0.14 135.00 137.46 2c3h n PRO 28 Ca -0.08 -0.10 -0.45 0.00 -0.04 0.00 0.00 63.50 62.83 2c3h n PRO 28 Cb 0.49 -2.08 -0.04 0.00 -0.04 0.00 0.00 33.50 31.84 2c3h n PRO 28 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2c3h n LYS 29 N -2.91 2.15 -4.19 0.54 3.00 -1.22 -4.76 118.16 110.77 2c3h n LYS 29 Ca 0.08 0.77 -0.12 0.00 -0.00 0.00 0.00 58.31 59.04 2c3h n LYS 29 Cb 0.53 -2.50 -0.09 0.00 0.00 0.00 0.00 35.03 32.97 2c3h n LYS 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2c3h s VAL 30 N 0.54 0.00 0.46 3.15 0.11 -1.26 -5.08 120.40 118.32 2c3h s VAL 30 Ca 0.74 -1.95 -0.24 0.00 -2.93 0.00 0.00 61.98 57.61 2c3h s VAL 30 Cb -0.66 -2.48 -0.07 0.00 -1.53 0.00 0.00 36.38 31.64 2c3h s VAL 30 CO 0.42 0.00 1.26 -1.81 -3.33 0.00 0.00 175.10 171.64 2c3h s ASP 31 N -3.17 6.03 -0.26 3.54 1.01 -1.26 -4.94 116.67 117.62 2c3h s ASP 31 Ca 0.38 2.53 0.00 0.00 0.71 0.00 0.00 52.55 56.17 2c3h s ASP 31 Cb 0.06 -2.62 0.07 0.00 1.01 0.00 0.00 42.92 41.44 2c3h s ASP 31 CO 0.13 -1.03 0.01 -1.61 0.21 0.00 0.00 175.17 172.88 2c3h s GLU 32 N -2.57 1.20 0.63 8.23 2.02 -1.26 -5.08 118.70 121.88 2c3h s GLU 32 Ca 0.63 -1.00 -0.18 0.00 0.02 0.00 0.00 54.97 54.44 2c3h s GLU 32 Cb -0.35 -2.42 -0.01 0.00 0.10 0.00 0.00 34.13 31.45 2c3h s GLU 32 CO 0.43 -0.74 1.23 -2.14 0.02 0.00 0.00 175.26 174.05 2c3h s PRO 33 N 1.48 2.71 0.82 0.39 0.02 -1.26 -5.01 135.00 134.15 2c3h s PRO 33 Ca 0.01 1.86 -0.11 0.00 0.02 0.00 0.00 61.00 62.78 2c3h s PRO 33 Cb -0.18 -1.89 0.09 0.00 0.02 0.00 0.00 34.50 32.54 2c3h s PRO 33 CO -0.11 -1.42 1.13 -0.08 -0.33 0.00 0.00 177.00 176.18 2c3h s THR 34 N -1.64 2.69 0.23 0.99 -1.32 -1.26 -4.75 115.64 110.57 2c3h s THR 34 Ca 0.78 0.24 -0.08 0.00 -1.21 0.00 0.00 61.69 61.41 2c3h s THR 34 Cb -0.32 -2.53 0.22 0.00 -1.51 0.00 0.00 72.50 68.37 2c3h s THR 34 CO 0.37 -0.28 1.66 -0.25 -2.21 0.00 0.00 174.62 173.92 2c3h h TRP 35 N -1.31 0.06 0.00 9.09 2.91 -1.98 -0.67 115.95 124.04 2c3h h TRP 35 Ca -0.44 0.05 0.00 0.00 1.13 0.00 0.00 58.89 59.63 2c3h h TRP 35 Cb 1.25 0.08 0.00 0.00 -0.51 0.00 0.00 29.16 29.98 2c3h h TRP 35 CO 0.53 -0.15 0.00 0.66 -1.03 0.00 0.00 178.44 178.45 2c3h h SER 36 N 0.16 0.00 -0.35 2.65 4.64 -2.00 -3.20 113.55 115.46 2c3h h SER 36 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 2c3h h SER 36 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 2c3h h SER 36 CO -0.55 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 174.79 2c3h n GLU 37 N -3.02 2.25 -1.62 4.77 1.02 -0.32 -4.96 120.64 118.76 2c3h n GLU 37 Ca 0.03 -1.90 -0.48 0.00 -0.02 0.00 0.00 57.16 54.79 2c3h n GLU 37 Cb 0.45 -1.47 -0.04 0.00 -0.02 0.00 0.00 31.44 30.36 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 1.11 -0.05 -1.76 0.62 0.00 -0.83 -4.76 120.51 114.84 2c3h n ALA 38 Ca 0.18 0.46 -0.39 0.00 0.00 0.00 0.00 53.44 53.70 2c3h n ALA 38 Cb 0.51 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.81 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 0.05 3.76 0.23 0.00 0.04 -1.25 -4.64 135.00 133.19 2c3h s PRO 39 Ca 0.76 2.13 -0.30 0.00 0.04 0.00 0.00 61.00 63.63 2c3h s PRO 39 Cb -0.80 -2.60 -0.10 0.00 0.04 0.00 0.00 34.50 31.04 2c3h s PRO 39 CO 0.48 -0.65 1.38 -2.00 0.04 0.00 0.00 177.00 176.25 2c3h s GLU 40 N -2.45 4.32 -0.06 4.56 2.12 -1.26 -1.61 118.70 124.31 2c3h s GLU 40 Ca 0.61 2.20 -0.26 0.00 0.36 0.00 0.00 54.97 57.87 2c3h s GLU 40 Cb -0.37 -3.14 -0.03 0.00 0.26 0.00 0.00 34.13 30.84 2c3h s GLU 40 CO 0.47 -0.34 0.82 -1.64 -0.54 0.00 0.00 175.26 174.03 2c3h s MET 41 N -0.32 4.45 0.29 4.30 -1.94 -0.43 -4.93 119.30 120.72 2c3h s MET 41 Ca 0.58 1.09 -0.30 0.00 -1.71 0.00 0.00 55.69 55.35 2c3h s MET 41 Cb -0.40 -3.48 -0.11 0.00 2.01 0.00 0.00 34.83 32.86 2c3h s MET 41 CO 0.41 -0.05 1.51 -1.21 -0.01 0.00 0.00 175.02 175.68 2c3h s GLU 42 N 1.14 4.18 0.24 2.03 2.02 0.37 -4.60 118.70 124.07 2c3h s GLU 42 Ca 0.42 2.46 -0.31 0.00 0.02 0.00 0.00 54.97 57.57 2c3h s GLU 42 Cb -0.19 -3.05 -0.12 0.00 0.10 0.00 0.00 34.13 30.88 2c3h s GLU 42 CO 0.20 -0.52 1.68 1.58 0.02 0.00 0.00 175.26 178.21 2c3h n HIS 43 N 1.94 2.79 -0.02 1.61 -0.00 -1.26 -0.03 115.22 120.25 2c3h n HIS 43 Ca 0.06 0.12 -0.04 0.00 -0.00 0.00 0.00 57.72 57.87 2c3h n HIS 43 Cb 0.39 -2.64 -0.01 0.00 -0.00 0.00 0.00 29.99 27.72 2c3h n HIS 43 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.34 177.32 2c3h n TYR 44 N 3.28 0.00 -3.65 1.57 9.36 -0.11 -4.82 117.16 122.79 2c3h n TYR 44 Ca 0.13 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.34 2c3h n TYR 44 Cb 0.35 -0.20 -0.06 0.00 -0.63 0.00 0.00 39.34 38.80 2c3h n TYR 44 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 2c3h s GLU 45 N -2.10 0.26 7.29 2.98 2.12 -0.78 -5.01 118.70 123.45 2c3h s GLU 45 Ca -0.11 0.43 0.00 0.00 0.36 0.00 0.00 54.97 55.65 2c3h s GLU 45 Cb 0.02 0.06 0.00 0.00 0.26 0.00 0.00 34.13 34.46 2c3h s GLU 45 CO 0.17 -0.05 0.00 0.41 -0.54 0.00 0.00 175.26 175.25 2c3h n GLY 46 N 3.37 2.43 0.15 -1.50 0.00 -1.26 -1.22 105.19 107.16 2c3h n GLY 46 Ca -0.18 -0.31 0.15 0.00 0.00 0.00 0.00 46.02 45.68 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 5.83 0.49 -4.75 1.61 8.00 -1.26 -4.89 116.55 121.59 2c3h n ASP 47 Ca 0.00 -1.07 -0.39 0.00 0.71 0.00 0.00 54.79 54.04 2c3h n ASP 47 Cb 0.00 -0.02 -0.05 0.00 -0.02 0.00 0.00 41.12 41.03 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 -2.07 3.65 0.27 1.24 0.52 -0.36 -0.87 118.94 121.32 2c3h s TRP 48 Ca 0.42 1.18 0.07 0.00 0.02 0.00 0.00 56.10 57.79 2c3h s TRP 48 Cb 0.21 -2.64 -0.06 0.00 -1.15 0.00 0.00 33.47 29.84 2c3h s TRP 48 CO 0.38 0.29 -0.07 0.71 0.02 0.00 0.00 176.95 178.27 2c3h s TYR 49 N 0.05 1.94 0.01 -1.98 2.02 -0.39 -0.93 117.35 118.08 2c3h s TYR 49 Ca 0.32 -0.67 -0.09 0.00 -0.37 0.00 0.00 57.07 56.26 2c3h s TYR 49 Cb -0.18 -1.08 0.00 0.00 -0.40 0.00 0.00 41.96 40.30 2c3h s TYR 49 CO 0.17 0.30 0.17 -0.08 -1.57 0.00 0.00 175.55 174.55 2c3h s THR 50 N -2.99 0.09 -0.07 -0.71 -1.32 0.96 -1.28 115.64 110.31 2c3h s THR 50 Ca 0.29 -0.75 -0.25 0.00 -1.21 0.00 0.00 61.69 59.76 2c3h s THR 50 Cb 0.03 -0.63 0.06 0.00 -1.51 0.00 0.00 72.50 70.45 2c3h s THR 50 CO 0.12 -0.41 0.58 -2.28 -2.21 0.00 0.00 174.62 170.41 2c3h s HIS 51 N -1.81 -0.55 -0.22 9.09 2.46 0.43 -0.48 115.29 124.21 2c3h s HIS 51 Ca -0.11 1.02 -0.03 0.00 0.47 0.00 0.00 55.06 56.41 2c3h s HIS 51 Cb -0.05 0.30 0.01 0.00 -0.13 0.00 0.00 32.58 32.71 2c3h s HIS 51 CO -0.00 -0.50 -0.07 0.99 -2.47 0.00 0.00 174.74 172.69 2c3h s THR 52 N -0.94 3.06 -0.27 0.89 2.01 -1.26 -0.83 115.64 118.31 2c3h s THR 52 Ca -0.10 -0.70 -0.26 0.00 0.31 0.00 0.00 61.69 60.95 2c3h s THR 52 Cb -0.02 -2.43 0.00 0.00 0.01 0.00 0.00 72.50 70.07 2c3h s THR 52 CO 0.07 0.38 0.89 -0.63 -0.69 0.00 0.00 174.62 174.64 2c3h s ILE 53 N 1.41 4.75 0.22 1.82 1.01 0.54 -4.90 121.20 126.04 2c3h s ILE 53 Ca 0.04 1.57 -0.25 0.00 0.00 0.00 0.00 60.65 62.00 2c3h s ILE 53 Cb -0.15 -4.21 -0.09 0.00 0.01 0.00 0.00 42.46 38.03 2c3h s ILE 53 CO -0.05 -0.21 0.83 -1.61 0.00 0.00 0.00 174.94 173.91 2c3h s GLU 54 N 3.06 4.58 0.00 2.79 0.41 -1.26 -1.23 118.70 127.05 2c3h s GLU 54 Ca 0.37 1.21 0.00 0.00 -0.41 0.00 0.00 54.97 56.15 2c3h s GLU 54 Cb -0.14 -3.12 0.00 0.00 -1.78 0.00 0.00 34.13 29.09 2c3h s GLU 54 CO 0.10 0.48 0.00 0.41 -0.49 0.00 0.00 175.26 175.76 2c3h n GLY 55 N 1.23 0.46 2.97 -1.39 0.00 -1.26 -4.93 105.19 102.27 2c3h n GLY 55 Ca -0.03 -0.93 -0.20 0.00 0.00 0.00 0.00 46.02 44.87 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 0.67 -0.09 1.61 0.11 -1.26 -4.26 120.40 115.19 2c3h s VAL 56 Ca 0.00 -0.28 -0.12 0.00 -2.93 0.00 0.00 61.98 58.65 2c3h s VAL 56 Cb 0.00 -0.62 -0.28 0.00 -1.53 0.00 0.00 36.38 33.95 2c3h s VAL 56 CO 0.00 0.23 0.54 -0.33 -3.33 0.00 0.00 175.10 172.20 2c3h h GLU 57 N 6.57 0.30 -4.00 1.54 4.39 0.87 -2.88 114.58 121.37 2c3h h GLU 57 Ca -0.34 -0.51 -0.13 0.00 0.34 0.00 0.00 59.36 58.71 2c3h h GLU 57 Cb 1.17 0.19 -0.17 0.00 -0.10 0.00 0.00 28.75 29.84 2c3h h GLU 57 CO 0.49 1.25 -0.62 -1.54 -1.16 0.00 0.00 179.01 177.43 2c3h s SER 58 N -7.13 0.30 0.03 1.42 1.04 -0.67 -2.86 113.70 105.82 2c3h s SER 58 Ca -0.19 -0.70 -0.13 0.00 0.48 0.00 0.00 55.95 55.41 2c3h s SER 58 Cb 0.05 0.19 0.02 0.00 0.10 0.00 0.00 66.02 66.38 2c3h s SER 58 CO 0.79 -0.50 0.29 0.54 0.98 0.00 0.00 173.24 175.34 2c3h s VAL 59 N -2.85 0.08 -0.11 5.02 0.11 0.55 -1.53 120.40 121.66 2c3h s VAL 59 Ca -0.03 -0.65 -0.10 0.00 -2.93 0.00 0.00 61.98 58.27 2c3h s VAL 59 Cb 0.00 -0.85 -0.05 0.00 -1.53 0.00 0.00 36.38 33.96 2c3h s VAL 59 CO -0.06 -0.36 0.22 -0.13 -3.33 0.00 0.00 175.10 171.44 2c3h s ARG 60 N -2.22 3.79 0.03 1.54 0.52 -0.56 -1.31 118.95 120.73 2c3h s ARG 60 Ca -0.07 0.01 0.00 0.00 -0.52 0.00 0.00 55.73 55.15 2c3h s ARG 60 Cb -0.02 -3.27 -0.02 0.00 0.52 0.00 0.00 34.95 32.16 2c3h s ARG 60 CO -0.01 0.60 -0.04 -0.48 0.02 0.00 0.00 175.30 175.38 2c3h s LEU 61 N -0.58 2.27 0.09 2.53 0.05 -0.06 -0.68 118.68 122.30 2c3h s LEU 61 Ca 0.16 -0.57 0.06 0.00 0.05 0.00 0.00 54.13 53.83 2c3h s LEU 61 Cb -0.13 0.04 -0.03 0.00 -2.05 0.00 0.00 46.19 44.02 2c3h s LEU 61 CO 0.05 -0.31 -0.15 -0.76 -0.55 0.00 0.00 176.35 174.63 2c3h s LEU 62 N -1.66 2.31 0.05 1.48 1.02 -0.02 0.13 118.68 122.00 2c3h s LEU 62 Ca -0.12 -0.67 -0.07 0.00 0.02 0.00 0.00 54.13 53.29 2c3h s LEU 62 Cb -0.08 -0.59 -0.05 0.00 0.02 0.00 0.00 46.19 45.49 2c3h s LEU 62 CO -0.02 -0.07 0.33 -0.36 0.02 0.00 0.00 176.35 176.26 2c3h s PHE 63 N -1.42 3.56 0.24 0.29 0.08 0.57 -1.20 117.98 120.11 2c3h s PHE 63 Ca 0.02 0.64 -0.10 0.00 0.12 0.00 0.00 56.93 57.60 2c3h s PHE 63 Cb -0.09 -2.04 -0.01 0.00 -0.57 0.00 0.00 43.02 40.30 2c3h s PHE 63 CO 0.03 0.55 0.42 -1.59 -0.10 0.00 0.00 175.22 174.53 2c3h s LYS 64 N -1.97 1.50 0.00 0.44 -2.85 -0.54 -0.76 119.74 115.56 2c3h s LYS 64 Ca 0.32 -1.33 0.00 0.00 -1.00 0.00 0.00 55.97 53.95 2c3h s LYS 64 Cb -0.13 0.43 0.00 0.00 -2.06 0.00 0.00 37.83 36.07 2c3h s LYS 64 CO 0.18 -0.60 0.00 -0.40 0.10 0.00 0.00 175.35 174.63 2c3h n ASP 65 N -0.39 1.40 0.11 0.03 5.68 -0.83 0.63 116.55 123.19 2c3h n ASP 65 Ca -0.01 -0.94 0.13 0.00 -0.50 0.00 0.00 54.79 53.47 2c3h n ASP 65 Cb 0.63 0.00 0.44 0.00 -1.14 0.00 0.00 41.12 41.05 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 -0.28 0.22 0.00 0.11 1.74 -1.26 -4.66 116.66 112.53 2c3h n ARG 66 Ca 0.00 0.28 0.00 0.00 -0.77 0.00 0.00 57.85 57.36 2c3h n ARG 66 Cb 0.00 -1.81 0.00 0.00 -1.02 0.00 0.00 32.46 29.63 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 0.82 0.89 0.03 -0.13 0.00 -1.26 -5.00 105.19 100.53 2c3h n GLY 67 Ca 0.04 -0.67 0.03 0.00 0.00 0.00 0.00 46.02 45.43 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 1.29 -2.44 2.61 -2.24 -1.26 -5.04 114.28 107.20 2c3h n THR 68 Ca 0.00 -1.41 -0.36 0.00 -2.27 0.00 0.00 64.05 60.00 2c3h n THR 68 Cb 0.00 0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 68.46 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 -1.62 6.48 -0.08 3.42 -0.87 -1.26 -4.96 114.94 116.04 2c3h s ASN 69 Ca 0.11 2.12 -0.30 0.00 -1.57 0.00 0.00 52.86 53.22 2c3h s ASN 69 Cb 0.09 -2.59 0.10 0.00 -0.02 0.00 0.00 41.25 38.83 2c3h s ASN 69 CO 0.01 -0.69 0.83 0.00 -2.57 0.00 0.00 177.10 174.68 2c3h s GLN 70 N -2.67 0.85 -0.18 -0.60 -2.07 -1.26 -1.96 119.66 111.78 2c3h s GLN 70 Ca 0.61 0.13 -0.04 0.00 -1.82 0.00 0.00 55.36 54.24 2c3h s GLN 70 Cb -0.24 0.40 0.09 0.00 -1.09 0.00 0.00 33.01 32.17 2c3h s GLN 70 CO 0.29 -0.28 0.25 -0.46 -1.32 0.00 0.00 175.29 173.77 2c3h s TRP 71 N -1.44 -0.39 1.18 9.60 -0.11 0.06 -4.11 118.94 123.72 2c3h s TRP 71 Ca -0.05 0.58 -0.16 0.00 1.22 0.00 0.00 56.10 57.69 2c3h s TRP 71 Cb -0.00 -0.20 0.28 0.00 -1.50 0.00 0.00 33.47 32.05 2c3h s TRP 71 CO 0.04 -0.52 1.04 -2.14 -4.62 0.00 0.00 176.95 170.75 2c3h s PRO 72 N 2.39 -1.04 1.11 5.86 0.02 -1.26 -0.31 135.00 141.76 2c3h s PRO 72 Ca 0.05 0.44 -0.15 0.00 0.02 0.00 0.00 61.00 61.37 2c3h s PRO 72 Cb -0.14 -1.57 0.24 0.00 0.02 0.00 0.00 34.50 33.05 2c3h s PRO 72 CO -0.11 -3.70 1.08 0.20 -0.33 0.00 0.00 177.00 174.14 2c3h s GLY 73 N -3.12 1.55 -0.15 0.52 0.00 -1.26 -4.83 107.32 100.03 2c3h s GLY 73 Ca 0.68 -0.53 -0.39 0.00 0.00 0.00 0.00 44.72 44.48 2c3h s GLY 73 CO 0.60 0.20 1.64 -1.05 0.00 0.00 0.00 173.10 174.49 2c3h n PRO 74 N -4.54 1.25 -0.13 2.90 -0.02 -1.26 -1.46 135.00 131.74 2c3h n PRO 74 Ca 0.07 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 2c3h n PRO 74 Cb 0.58 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 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 3.73 1.91 3.76 -1.23 0.00 -1.26 -5.01 105.19 107.09 2c3h n GLY 75 Ca 0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.04 4.58 0.61 1.61 0.41 -0.53 -4.98 118.70 120.36 2c3h s GLU 76 Ca 0.00 1.89 -0.18 0.00 -0.41 0.00 0.00 54.97 56.27 2c3h s GLU 76 Cb 0.00 -3.17 -0.03 0.00 -1.78 0.00 0.00 34.13 29.16 2c3h s GLU 76 CO 0.00 0.12 1.23 -1.25 -0.49 0.00 0.00 175.26 174.87 2c3h s PRO 77 N -1.47 2.82 0.62 0.39 0.04 -1.26 -4.78 135.00 131.36 2c3h s PRO 77 Ca 0.46 1.88 -0.17 0.00 0.04 0.00 0.00 61.00 63.20 2c3h s PRO 77 Cb -0.34 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.28 2c3h s PRO 77 CO 0.43 -1.34 1.15 0.20 0.04 0.00 0.00 177.00 177.49 2c3h s GLY 78 N -1.58 2.46 0.27 0.56 0.00 -1.26 -4.79 107.32 102.98 2c3h s GLY 78 Ca 0.78 0.78 -0.30 0.00 0.00 0.00 0.00 44.72 45.99 2c3h s GLY 78 CO 0.35 1.16 1.61 -1.36 0.00 0.00 0.00 173.10 174.86 2c3h s PHE 79 N -1.95 2.80 -0.08 1.90 0.08 0.12 -4.44 117.98 116.40 2c3h s PHE 79 Ca 0.72 0.70 -0.23 0.00 0.12 0.00 0.00 56.93 58.24 2c3h s PHE 79 Cb -0.25 -4.07 -0.04 0.00 -0.57 0.00 0.00 43.02 38.09 2c3h s PHE 79 CO 0.36 -3.71 0.68 0.12 -0.10 0.00 0.00 175.22 172.57 2c3h s PHE 80 N 0.26 3.55 0.08 0.36 5.36 -1.26 -0.88 117.98 125.44 2c3h s PHE 80 Ca 0.66 1.20 -0.21 0.00 -0.96 0.00 0.00 56.93 57.62 2c3h s PHE 80 Cb -0.48 -2.79 0.05 0.00 -0.34 0.00 0.00 43.02 39.46 2c3h s PHE 80 CO 0.44 0.07 0.50 1.03 -1.46 0.00 0.00 175.22 175.80 2c3h s ARG 81 N 0.91 1.07 0.00 10.12 1.81 -0.43 -4.96 118.95 127.46 2c3h s ARG 81 Ca 0.36 -0.36 0.00 0.00 -1.72 0.00 0.00 55.73 54.01 2c3h s ARG 81 Cb -0.17 0.48 0.00 0.00 -0.45 0.00 0.00 34.95 34.81 2c3h s ARG 81 CO 0.17 -0.40 0.00 -3.47 -0.68 0.00 0.00 175.30 170.91 2c3h n ASP 82 N 0.19 0.00 -3.90 0.23 2.03 -1.14 0.21 116.55 114.17 2c3h n ASP 82 Ca -0.18 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.05 2c3h n ASP 82 Cb 0.62 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.94 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 0.84 0.54 -0.67 -0.21 -1.26 -4.80 119.66 114.10 2c3h s GLN 83 Ca 0.00 -1.02 -0.22 0.00 0.02 0.00 0.00 55.36 54.14 2c3h s GLN 83 Cb 0.00 0.33 -0.05 0.00 1.00 0.00 0.00 33.01 34.29 2c3h s GLN 83 CO 0.00 -0.26 1.37 -0.51 -2.12 0.00 0.00 175.29 173.77 2c3h s ASP 84 N -2.88 5.32 0.00 5.90 -0.00 -1.26 -4.88 116.67 118.87 2c3h s ASP 84 Ca 0.07 2.79 0.00 0.00 -0.00 0.00 0.00 52.55 55.41 2c3h s ASP 84 Cb 0.05 -2.64 0.00 0.00 -0.00 0.00 0.00 42.92 40.33 2c3h s ASP 84 CO -0.10 -1.54 0.00 0.61 -0.00 0.00 0.00 175.17 174.15 2c3h n GLY 85 N 0.71 0.00 3.11 0.21 0.00 -1.24 -4.66 105.19 103.33 2c3h n GLY 85 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 3.11 -0.29 1.61 0.52 -0.31 0.43 118.94 124.01 2c3h s TRP 86 Ca 0.00 -1.98 -0.06 0.00 0.02 0.00 0.00 56.10 54.07 2c3h s TRP 86 Cb 0.00 -1.96 0.01 0.00 -1.15 0.00 0.00 33.47 30.37 2c3h s TRP 86 CO 0.00 -0.83 0.07 0.12 0.02 0.00 0.00 176.95 176.33 2c3h s PHE 87 N 1.20 3.15 -0.19 -1.98 5.36 0.91 -1.00 117.98 125.43 2c3h s PHE 87 Ca -0.04 -1.07 0.13 0.00 -0.96 0.00 0.00 56.93 54.99 2c3h s PHE 87 Cb -0.18 -2.23 0.42 0.00 -0.34 0.00 0.00 43.02 40.69 2c3h s PHE 87 CO -0.07 -0.60 1.21 -0.40 -1.46 0.00 0.00 175.22 173.90 2c3h n ASP 88 N 4.84 1.71 0.00 6.13 3.85 -1.26 -1.43 116.55 130.39 2c3h n ASP 88 Ca -0.15 -3.65 0.00 0.00 -0.71 0.00 0.00 54.79 50.29 2c3h n ASP 88 Cb 0.48 -0.49 0.00 0.00 -1.35 0.00 0.00 41.12 39.75 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 -0.89 1.34 3.19 6.12 0.00 -1.26 -5.01 105.19 108.68 2c3h n GLY 89 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.04 1.02 0.09 1.61 0.41 -1.26 -5.15 118.70 115.38 2c3h s GLU 90 Ca 0.00 -1.49 -0.14 0.00 -0.41 0.00 0.00 54.97 52.92 2c3h s GLU 90 Cb 0.00 0.03 -0.06 0.00 -1.78 0.00 0.00 34.13 32.32 2c3h s GLU 90 CO 0.00 -0.22 0.49 -1.58 -0.49 0.00 0.00 175.26 173.46 2c3h s TRP 91 N -3.89 3.66 0.01 1.61 0.52 -1.26 -4.22 118.94 115.37 2c3h s TRP 91 Ca 0.25 1.03 0.01 0.00 0.02 0.00 0.00 56.10 57.40 2c3h s TRP 91 Cb 0.07 -2.33 -0.01 0.00 -1.15 0.00 0.00 33.47 30.05 2c3h s TRP 91 CO 0.03 0.52 -0.02 -1.01 0.02 0.00 0.00 176.95 176.49 2c3h s HIS 92 N -1.30 0.21 0.32 -1.98 3.76 -0.17 -4.98 115.29 111.14 2c3h s HIS 92 Ca 0.32 -0.18 0.07 0.00 -0.15 0.00 0.00 55.06 55.12 2c3h s HIS 92 Cb -0.16 -0.14 0.53 0.00 1.11 0.00 0.00 32.58 33.92 2c3h s HIS 92 CO 0.18 -0.05 1.76 -0.39 -0.85 0.00 0.00 174.74 175.38 2c3h h VAL 93 N 4.96 1.27 -3.08 -0.90 -1.51 -1.87 -0.80 116.25 114.32 2c3h h VAL 93 Ca -0.28 -1.30 -0.65 0.00 -1.23 0.00 0.00 66.70 63.24 2c3h h VAL 93 Cb 1.21 1.52 -0.18 0.00 -2.13 0.00 0.00 31.29 31.71 2c3h h VAL 93 CO 0.48 0.39 -0.82 -1.81 -1.23 0.00 0.00 177.57 174.59 2c3h s ASP 94 N -6.87 3.46 -0.25 4.19 1.01 -1.26 -4.40 116.67 112.55 2c3h s ASP 94 Ca -0.05 -0.88 -0.38 0.00 0.71 0.00 0.00 52.55 51.94 2c3h s ASP 94 Cb 0.14 -0.26 -0.14 0.00 1.01 0.00 0.00 42.92 43.66 2c3h s ASP 94 CO 0.76 0.11 1.84 -1.14 0.21 0.00 0.00 175.17 176.96 2c3h n ARG 95 N 0.16 1.36 0.00 8.23 0.63 -1.26 -4.89 116.66 120.89 2c3h n ARG 95 Ca -0.12 0.48 0.00 0.00 -0.92 0.00 0.00 57.85 57.30 2c3h n ARG 95 Cb 0.56 -2.26 0.00 0.00 0.45 0.00 0.00 32.46 31.21 2c3h n ARG 95 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82