#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 0.04 -0.21 0.99 2.96 0.04 -4.73 118.68 117.77 2c3h s LEU 6 Ca 0.00 0.19 -0.07 0.00 -0.22 0.00 0.00 54.13 54.03 2c3h s LEU 6 Cb 0.00 0.06 -0.04 0.00 0.50 0.00 0.00 46.19 46.72 2c3h s LEU 6 CO 0.00 -0.25 0.06 -0.89 -1.32 0.00 0.00 176.35 173.95 2c3h s THR 7 N 2.23 4.52 -0.01 3.68 2.01 -1.26 -0.41 115.64 126.40 2c3h s THR 7 Ca 0.04 -0.12 0.05 0.00 0.31 0.00 0.00 61.69 61.97 2c3h s THR 7 Cb -0.12 -3.06 -0.03 0.00 0.01 0.00 0.00 72.50 69.30 2c3h s THR 7 CO -0.04 0.41 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.52 2c3h s ILE 8 N 0.87 2.99 -0.06 1.82 1.01 -0.53 -4.05 121.20 123.25 2c3h s ILE 8 Ca 0.03 -0.91 0.05 0.00 0.00 0.00 0.00 60.65 59.83 2c3h s ILE 8 Cb -0.14 -2.21 -0.01 0.00 0.01 0.00 0.00 42.46 40.12 2c3h s ILE 8 CO 0.02 0.48 -0.21 -0.31 0.00 0.00 0.00 174.94 174.92 2c3h s TYR 9 N -0.82 2.14 -0.01 3.97 2.02 0.25 -1.92 117.35 122.98 2c3h s TYR 9 Ca 0.13 -0.66 0.02 0.00 -0.37 0.00 0.00 57.07 56.18 2c3h s TYR 9 Cb -0.11 -1.42 0.00 0.00 -0.40 0.00 0.00 41.96 40.03 2c3h s TYR 9 CO 0.03 -0.22 -0.05 0.12 -1.57 0.00 0.00 175.55 173.86 2c3h s PHE 10 N -0.00 0.53 -0.45 2.71 5.36 0.16 -0.58 117.98 125.72 2c3h s PHE 10 Ca -0.06 -0.11 -0.13 0.00 -0.96 0.00 0.00 56.93 55.68 2c3h s PHE 10 Cb -0.13 -0.38 0.08 0.00 -0.34 0.00 0.00 43.02 42.24 2c3h s PHE 10 CO 0.04 -0.04 0.34 0.21 -1.46 0.00 0.00 175.22 174.31 2c3h s LYS 11 N 0.09 2.82 -0.02 10.12 2.20 0.25 -0.60 119.74 134.60 2c3h s LYS 11 Ca -0.01 -1.41 -0.30 0.00 -0.36 0.00 0.00 55.97 53.89 2c3h s LYS 11 Cb -0.05 -3.99 -0.07 0.00 -1.51 0.00 0.00 37.83 32.21 2c3h s LYS 11 CO -0.00 -1.01 1.76 0.21 -0.36 0.00 0.00 175.35 175.95 2c3h s LYS 12 N 1.55 4.17 0.56 4.03 2.20 -0.09 -4.83 119.74 127.33 2c3h s LYS 12 Ca 0.04 2.33 -0.21 0.00 -0.36 0.00 0.00 55.97 57.77 2c3h s LYS 12 Cb -0.24 -4.03 -0.04 0.00 -1.51 0.00 0.00 37.83 32.00 2c3h s LYS 12 CO 0.05 -0.88 1.32 -2.30 -0.36 0.00 0.00 175.35 173.18 2c3h n PRO 13 N 7.23 1.55 -0.22 4.03 -0.02 -1.26 -4.90 135.00 141.41 2c3h n PRO 13 Ca 0.18 0.58 0.03 0.00 -2.02 0.00 0.00 63.50 62.26 2c3h n PRO 13 Cb 0.42 -2.54 0.14 0.00 -0.02 0.00 0.00 33.50 31.50 2c3h n PRO 13 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2c3h h ASP 14 N 1.24 0.08 0.10 2.55 3.45 -1.99 -2.15 116.42 119.70 2c3h h ASP 14 Ca -0.51 0.12 0.00 0.00 0.43 0.00 0.00 57.03 57.07 2c3h h ASP 14 Cb 1.31 0.14 0.00 0.00 -0.56 0.00 0.00 39.33 40.22 2c3h h ASP 14 CO 0.56 0.03 0.00 -1.54 -1.57 0.00 0.00 179.24 176.72 2c3h n SER 15 N -5.10 0.00 -4.95 6.45 3.41 -1.26 -4.83 113.62 107.35 2c3h n SER 15 Ca 0.11 -0.15 -0.26 0.00 -0.26 0.00 0.00 58.87 58.32 2c3h n SER 15 Cb 0.36 -0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.15 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 -2.26 3.48 0.76 7.33 0.52 -0.81 -5.10 118.94 122.85 2c3h s TRP 16 Ca 0.15 0.13 -0.13 0.00 0.02 0.00 0.00 56.10 56.27 2c3h s TRP 16 Cb 0.08 -1.68 0.18 0.00 -1.15 0.00 0.00 33.47 30.90 2c3h s TRP 16 CO 0.16 0.49 0.93 0.41 0.02 0.00 0.00 176.95 178.96 2c3h n GLY 17 N -0.66 -1.72 3.60 0.98 0.00 -1.26 -4.94 105.19 101.19 2c3h n GLY 17 Ca -0.07 -1.65 -0.51 0.00 0.00 0.00 0.00 46.02 43.80 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 -3.56 0.17 -2.33 2.61 -1.04 -1.26 -4.77 114.28 104.09 2c3h n THR 18 Ca 0.12 -0.04 -0.38 0.00 -2.04 0.00 0.00 64.05 61.71 2c3h n THR 18 Cb 0.42 -0.94 -0.02 0.00 -1.82 0.00 0.00 70.33 67.98 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 0.38 4.04 0.09 -2.82 0.02 -1.26 -4.45 135.00 131.00 2c3h s PRO 19 Ca 0.81 1.77 0.10 0.00 0.02 0.00 0.00 61.00 63.71 2c3h s PRO 19 Cb -0.89 -2.62 -0.03 0.00 0.02 0.00 0.00 34.50 30.97 2c3h s PRO 19 CO 0.47 -0.31 -0.26 -1.01 -0.33 0.00 0.00 177.00 175.55 2c3h s HIS 20 N -1.47 2.26 -0.38 6.54 3.76 0.46 -0.23 115.29 126.24 2c3h s HIS 20 Ca 0.58 -0.39 -0.08 0.00 -0.15 0.00 0.00 55.06 55.01 2c3h s HIS 20 Cb -0.29 -1.28 0.05 0.00 1.11 0.00 0.00 32.58 32.17 2c3h s HIS 20 CO 0.36 0.24 0.18 -1.17 -0.85 0.00 0.00 174.74 173.51 2c3h s LEU 21 N -1.70 4.74 -0.03 0.89 2.96 -0.98 -1.29 118.68 123.26 2c3h s LEU 21 Ca 0.12 -1.28 -0.14 0.00 -0.22 0.00 0.00 54.13 52.61 2c3h s LEU 21 Cb -0.10 -1.94 -0.05 0.00 0.50 0.00 0.00 46.19 44.60 2c3h s LEU 21 CO 0.04 -0.42 0.38 -0.47 -1.32 0.00 0.00 176.35 174.56 2c3h s TYR 22 N 1.43 3.68 0.04 5.38 5.04 -0.33 -3.88 117.35 128.71 2c3h s TYR 22 Ca 0.01 0.91 -0.11 0.00 -2.44 0.00 0.00 57.07 55.44 2c3h s TYR 22 Cb -0.21 -2.28 0.01 0.00 0.35 0.00 0.00 41.96 39.83 2c3h s TYR 22 CO 0.03 0.58 0.23 1.52 -1.34 0.00 0.00 175.55 176.57 2c3h s TYR 23 N -0.82 0.01 0.33 4.97 1.13 -1.26 -0.85 117.35 120.85 2c3h s TYR 23 Ca 0.22 -0.21 -0.14 0.00 -1.41 0.00 0.00 57.07 55.54 2c3h s TYR 23 Cb -0.16 0.01 0.02 0.00 -1.10 0.00 0.00 41.96 40.74 2c3h s TYR 23 CO 0.11 -0.46 0.65 1.52 -2.51 0.00 0.00 175.55 174.86 2c3h s TYR 24 N -2.62 0.29 -1.59 -3.49 1.13 -0.30 -4.61 117.35 106.16 2c3h s TYR 24 Ca -0.05 -0.76 0.00 0.00 -1.41 0.00 0.00 57.07 54.85 2c3h s TYR 24 Cb -0.01 0.50 0.00 0.00 -1.10 0.00 0.00 41.96 41.35 2c3h s TYR 24 CO -0.04 -1.30 0.00 -0.25 -2.51 0.00 0.00 175.55 171.45 2c3h n ASP 25 N -0.99 -5.36 -4.67 -0.18 9.92 -1.26 -1.08 116.55 112.93 2c3h n ASP 25 Ca -0.04 0.04 -0.40 0.00 -0.53 0.00 0.00 54.79 53.87 2c3h n ASP 25 Cb 0.60 -4.48 0.03 0.00 -0.64 0.00 0.00 41.12 36.63 2c3h n ASP 25 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 2c3h n THR 26 N -3.83 3.11 -3.48 -3.53 -2.24 -1.26 -4.31 114.28 98.73 2c3h n THR 26 Ca -0.22 -0.50 -0.15 0.00 -2.27 0.00 0.00 64.05 60.91 2c3h n THR 26 Cb 0.67 -1.38 -0.11 0.00 -2.10 0.00 0.00 70.33 67.40 2c3h n THR 26 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2c3h s ASN 27 N -0.85 0.86 0.70 3.42 2.47 -0.91 -3.40 114.94 117.23 2c3h s ASN 27 Ca 0.68 0.06 -0.12 0.00 0.42 0.00 0.00 52.86 53.89 2c3h s ASN 27 Cb -0.47 0.66 0.02 0.00 -1.45 0.00 0.00 41.25 40.01 2c3h s ASN 27 CO 0.53 -0.30 1.08 -2.84 -3.72 0.00 0.00 177.10 171.85 2c3h s PRO 28 N 2.41 2.68 0.20 0.43 0.02 -1.26 0.41 135.00 139.89 2c3h s PRO 28 Ca 0.07 1.18 -0.31 0.00 0.02 0.00 0.00 61.00 61.97 2c3h s PRO 28 Cb -0.15 -1.95 -0.16 0.00 0.02 0.00 0.00 34.50 32.27 2c3h s PRO 28 CO -0.13 -1.32 1.02 1.17 -0.33 0.00 0.00 177.00 177.42 2c3h n LYS 29 N -2.96 1.02 -3.57 5.54 3.00 -1.22 -4.81 118.16 115.15 2c3h n LYS 29 Ca 0.09 0.36 -0.12 0.00 -0.00 0.00 0.00 58.31 58.64 2c3h n LYS 29 Cb 0.53 -1.75 -0.04 0.00 0.00 0.00 0.00 35.03 33.76 2c3h n LYS 29 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2c3h s VAL 30 N -0.56 0.04 0.32 3.15 1.01 -1.26 -5.09 120.40 118.02 2c3h s VAL 30 Ca 0.68 -0.34 -0.29 0.00 0.00 0.00 0.00 61.98 62.03 2c3h s VAL 30 Cb -0.83 -1.05 -0.12 0.00 0.00 0.00 0.00 36.38 34.37 2c3h s VAL 30 CO 0.55 -0.19 1.42 0.47 0.00 0.00 0.00 175.10 177.36 2c3h n ASP 31 N -0.00 3.24 -3.90 3.32 8.00 -1.26 -4.90 116.55 121.04 2c3h n ASP 31 Ca -0.17 1.19 -0.30 0.00 0.71 0.00 0.00 54.79 56.21 2c3h n ASP 31 Cb 0.63 -1.53 -0.15 0.00 -0.02 0.00 0.00 41.12 40.05 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 -1.41 1.19 0.22 -1.24 2.02 -1.26 -5.07 118.70 113.15 2c3h s GLU 32 Ca 0.59 -1.50 -0.31 0.00 0.02 0.00 0.00 54.97 53.77 2c3h s GLU 32 Cb -0.54 -2.68 -0.15 0.00 0.10 0.00 0.00 34.13 30.86 2c3h s GLU 32 CO 0.58 -0.93 1.22 -2.30 0.02 0.00 0.00 175.26 173.85 2c3h n PRO 33 N 4.52 1.51 -1.08 0.39 -0.02 -1.26 -4.98 135.00 134.07 2c3h n PRO 33 Ca 0.00 0.54 -0.36 0.00 -2.02 0.00 0.00 63.50 61.66 2c3h n PRO 33 Cb 0.42 -2.07 0.05 0.00 -0.02 0.00 0.00 33.50 31.88 2c3h n PRO 33 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2c3h n THR 34 N 1.38 0.30 0.06 3.45 -1.04 -1.26 -4.70 114.28 112.47 2c3h n THR 34 Ca 0.13 -0.45 -0.15 0.00 -2.04 0.00 0.00 64.05 61.54 2c3h n THR 34 Cb 0.28 -0.20 -0.09 0.00 -1.82 0.00 0.00 70.33 68.51 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 -0.71 -1.45 0.00 -1.42 2.91 -1.97 -1.81 115.95 111.50 2c3h h TRP 35 Ca -0.43 0.05 0.00 0.00 1.13 0.00 0.00 58.89 59.63 2c3h h TRP 35 Cb 1.34 0.63 0.00 0.00 -0.51 0.00 0.00 29.16 30.63 2c3h h TRP 35 CO 0.26 -0.56 0.00 -1.13 -1.03 0.00 0.00 178.44 175.98 2c3h n SER 36 N -5.46 0.00 -0.34 2.65 3.41 -1.26 -2.55 113.62 110.06 2c3h n SER 36 Ca -0.07 -0.29 0.07 0.00 -0.26 0.00 0.00 58.87 58.32 2c3h n SER 36 Cb 0.39 -0.15 -0.00 0.00 -0.26 0.00 0.00 64.21 64.19 2c3h n SER 36 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2c3h n GLU 37 N -1.15 1.74 -1.54 4.33 2.13 -0.78 -5.02 120.64 120.34 2c3h n GLU 37 Ca 0.12 -0.77 -0.53 0.00 0.66 0.00 0.00 57.16 56.63 2c3h n GLU 37 Cb 0.11 -1.24 -0.06 0.00 0.27 0.00 0.00 31.44 30.52 2c3h n GLU 37 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2c3h n ALA 38 N -0.15 -1.94 -1.95 4.31 0.00 -0.75 -4.84 120.51 115.19 2c3h n ALA 38 Ca 0.06 0.53 -0.42 0.00 0.00 0.00 0.00 53.44 53.61 2c3h n ALA 38 Cb 0.32 -1.93 -0.03 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 0.02 4.22 0.30 0.00 0.04 -1.25 -4.70 135.00 133.62 2c3h s PRO 39 Ca 0.82 2.32 -0.28 0.00 0.04 0.00 0.00 61.00 63.91 2c3h s PRO 39 Cb -1.03 -3.33 -0.14 0.00 0.04 0.00 0.00 34.50 30.04 2c3h s PRO 39 CO 0.52 -0.64 0.98 -1.91 0.04 0.00 0.00 177.00 175.99 2c3h n GLU 40 N 4.59 1.28 -2.95 4.56 2.13 -1.26 -2.32 120.64 126.67 2c3h n GLU 40 Ca 0.14 0.45 -0.40 0.00 0.66 0.00 0.00 57.16 58.02 2c3h n GLU 40 Cb 0.40 -1.81 -0.06 0.00 0.27 0.00 0.00 31.44 30.24 2c3h n GLU 40 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 2c3h s MET 41 N -1.56 4.58 0.25 5.31 -1.94 0.68 -4.85 119.30 121.78 2c3h s MET 41 Ca 0.59 1.18 -0.30 0.00 -1.71 0.00 0.00 55.69 55.46 2c3h s MET 41 Cb -0.70 -3.29 -0.09 0.00 2.01 0.00 0.00 34.83 32.75 2c3h s MET 41 CO 0.60 0.48 1.21 -1.21 -0.01 0.00 0.00 175.02 176.08 2c3h s GLU 42 N -0.82 4.49 0.30 2.03 2.02 -0.08 -4.78 118.70 121.86 2c3h s GLU 42 Ca 0.38 1.96 -0.30 0.00 0.02 0.00 0.00 54.97 57.03 2c3h s GLU 42 Cb -0.23 -3.18 -0.11 0.00 0.10 0.00 0.00 34.13 30.71 2c3h s GLU 42 CO 0.26 -0.04 1.57 -1.58 0.02 0.00 0.00 175.26 175.49 2c3h s HIS 43 N -0.65 2.75 -0.05 1.61 5.65 -1.26 -0.59 115.29 122.75 2c3h s HIS 43 Ca 0.50 0.86 -0.09 0.00 0.25 0.00 0.00 55.06 56.58 2c3h s HIS 43 Cb -0.35 -4.04 -0.03 0.00 -1.18 0.00 0.00 32.58 26.98 2c3h s HIS 43 CO 0.42 -3.43 -0.17 0.98 -0.65 0.00 0.00 174.74 171.89 2c3h n TYR 44 N 1.94 0.00 -3.63 3.88 9.36 0.85 -4.79 117.16 124.78 2c3h n TYR 44 Ca 0.07 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.22 2c3h n TYR 44 Cb 0.38 -0.25 -0.06 0.00 -0.63 0.00 0.00 39.34 38.78 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 -2.34 0.33 7.58 2.98 -1.05 -0.90 -5.01 118.70 120.29 2c3h s GLU 45 Ca -0.14 0.26 0.00 0.00 -0.15 0.00 0.00 54.97 54.94 2c3h s GLU 45 Cb 0.02 0.16 0.00 0.00 -0.44 0.00 0.00 34.13 33.87 2c3h s GLU 45 CO 0.21 -0.07 0.00 0.41 0.95 0.00 0.00 175.26 176.76 2c3h n GLY 46 N 1.44 3.52 0.03 -3.83 0.00 -1.26 -0.92 105.19 104.17 2c3h n GLY 46 Ca -0.09 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 45.88 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 4.43 0.08 -4.84 1.61 8.00 -1.26 -4.89 116.55 119.69 2c3h n ASP 47 Ca 0.00 -1.50 -0.36 0.00 0.71 0.00 0.00 54.79 53.64 2c3h n ASP 47 Cb 0.00 -0.01 -0.07 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 -1.99 3.55 0.21 1.24 0.52 -0.10 -0.91 118.94 121.47 2c3h s TRP 48 Ca 0.25 0.48 0.05 0.00 0.02 0.00 0.00 56.10 56.90 2c3h s TRP 48 Cb 0.12 -1.99 -0.05 0.00 -1.15 0.00 0.00 33.47 30.39 2c3h s TRP 48 CO 0.19 0.63 -0.06 0.71 0.02 0.00 0.00 176.95 178.45 2c3h s TYR 49 N -0.69 1.55 0.04 -1.98 2.02 0.23 -0.10 117.35 118.41 2c3h s TYR 49 Ca 0.13 -0.80 -0.10 0.00 -0.37 0.00 0.00 57.07 55.93 2c3h s TYR 49 Cb -0.12 -0.85 0.00 0.00 -0.40 0.00 0.00 41.96 40.60 2c3h s TYR 49 CO 0.03 0.09 0.20 -0.08 -1.57 0.00 0.00 175.55 174.21 2c3h s THR 50 N -3.28 0.11 -0.15 -0.71 -1.32 0.24 0.41 115.64 110.93 2c3h s THR 50 Ca 0.24 -0.87 -0.20 0.00 -1.21 0.00 0.00 61.69 59.65 2c3h s THR 50 Cb 0.04 -0.89 0.05 0.00 -1.51 0.00 0.00 72.50 70.18 2c3h s THR 50 CO 0.07 -0.48 0.53 -2.28 -2.21 0.00 0.00 174.62 170.25 2c3h s HIS 51 N -2.51 -0.55 -0.22 9.09 2.46 -0.81 -0.90 115.29 121.85 2c3h s HIS 51 Ca -0.05 1.24 -0.04 0.00 0.47 0.00 0.00 55.06 56.68 2c3h s HIS 51 Cb -0.01 0.22 -0.01 0.00 -0.13 0.00 0.00 32.58 32.65 2c3h s HIS 51 CO -0.04 -0.35 -0.05 0.99 -2.47 0.00 0.00 174.74 172.82 2c3h s THR 52 N -0.17 3.35 -0.37 0.89 2.01 -1.26 -1.46 115.64 118.63 2c3h s THR 52 Ca -0.04 -0.50 -0.26 0.00 0.31 0.00 0.00 61.69 61.20 2c3h s THR 52 Cb -0.03 -2.52 0.02 0.00 0.01 0.00 0.00 72.50 69.97 2c3h s THR 52 CO 0.03 0.43 0.96 -0.63 -0.69 0.00 0.00 174.62 174.72 2c3h s ILE 53 N 1.42 4.54 0.40 1.82 1.01 0.46 -4.92 121.20 125.93 2c3h s ILE 53 Ca 0.05 1.26 -0.23 0.00 0.00 0.00 0.00 60.65 61.73 2c3h s ILE 53 Cb -0.14 -4.37 -0.10 0.00 0.01 0.00 0.00 42.46 37.86 2c3h s ILE 53 CO -0.03 -0.57 0.99 -1.61 0.00 0.00 0.00 174.94 173.71 2c3h s GLU 54 N 3.58 4.27 0.00 2.79 0.41 -1.26 -0.78 118.70 127.71 2c3h s GLU 54 Ca 0.40 1.33 0.00 0.00 -0.41 0.00 0.00 54.97 56.28 2c3h s GLU 54 Cb -0.12 -2.46 0.00 0.00 -1.78 0.00 0.00 34.13 29.77 2c3h s GLU 54 CO 0.19 -0.02 0.00 0.41 -0.49 0.00 0.00 175.26 175.36 2c3h n GLY 55 N 0.05 0.61 3.09 -1.39 0.00 -1.26 -4.86 105.19 101.44 2c3h n GLY 55 Ca 0.05 -0.45 -0.19 0.00 0.00 0.00 0.00 46.02 45.43 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 0.92 -0.16 1.61 0.11 -1.26 -4.17 120.40 115.45 2c3h s VAL 56 Ca 0.00 -0.74 0.08 0.00 -2.93 0.00 0.00 61.98 58.38 2c3h s VAL 56 Cb 0.00 -0.82 -0.23 0.00 -1.53 0.00 0.00 36.38 33.80 2c3h s VAL 56 CO 0.00 0.07 0.20 -0.62 -3.33 0.00 0.00 175.10 171.43 2c3h n GLU 57 N 2.29 0.68 -3.86 1.54 -0.58 0.16 -3.60 120.64 117.28 2c3h n GLU 57 Ca -0.16 0.16 -0.10 0.00 -0.42 0.00 0.00 57.16 56.64 2c3h n GLU 57 Cb 0.55 -1.63 -0.06 0.00 -0.57 0.00 0.00 31.44 29.74 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 -6.20 -0.08 -0.08 1.62 1.04 -0.91 -2.99 113.70 106.11 2c3h s SER 58 Ca -0.17 -0.70 -0.30 0.00 0.48 0.00 0.00 55.95 55.26 2c3h s SER 58 Cb 0.07 0.49 0.11 0.00 0.10 0.00 0.00 66.02 66.79 2c3h s SER 58 CO 0.76 -0.94 0.92 -0.69 0.98 0.00 0.00 173.24 174.27 2c3h s VAL 59 N -3.92 0.00 -0.09 5.02 1.01 0.26 -2.14 120.40 120.54 2c3h s VAL 59 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.10 2c3h s VAL 59 Cb 0.02 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 2c3h s VAL 59 CO -0.02 0.00 -0.04 -0.13 0.00 0.00 0.00 175.10 174.91 2c3h s ARG 60 N -2.10 3.02 0.04 2.72 0.52 -0.24 -1.61 118.95 121.31 2c3h s ARG 60 Ca 0.01 -0.49 -0.04 0.00 -0.52 0.00 0.00 55.73 54.69 2c3h s ARG 60 Cb -0.01 -2.73 -0.02 0.00 0.52 0.00 0.00 34.95 32.71 2c3h s ARG 60 CO -0.03 0.60 0.05 -0.48 0.02 0.00 0.00 175.30 175.46 2c3h s LEU 61 N -0.60 2.01 0.03 2.53 0.05 -0.16 -1.15 118.68 121.38 2c3h s LEU 61 Ca 0.09 -0.63 0.04 0.00 0.05 0.00 0.00 54.13 53.68 2c3h s LEU 61 Cb -0.12 0.45 -0.02 0.00 -2.05 0.00 0.00 46.19 44.45 2c3h s LEU 61 CO 0.02 -0.50 -0.11 -0.76 -0.55 0.00 0.00 176.35 174.45 2c3h s LEU 62 N -2.21 2.15 0.06 1.48 1.02 -0.03 -0.95 118.68 120.20 2c3h s LEU 62 Ca -0.04 -0.40 -0.11 0.00 0.02 0.00 0.00 54.13 53.60 2c3h s LEU 62 Cb -0.00 -0.46 -0.06 0.00 0.02 0.00 0.00 46.19 45.68 2c3h s LEU 62 CO -0.05 -0.00 0.40 -0.36 0.02 0.00 0.00 176.35 176.36 2c3h s PHE 63 N -0.80 3.61 0.09 0.29 0.08 0.12 -1.18 117.98 120.20 2c3h s PHE 63 Ca -0.00 0.83 -0.12 0.00 0.12 0.00 0.00 56.93 57.76 2c3h s PHE 63 Cb -0.07 -2.19 0.01 0.00 -0.57 0.00 0.00 43.02 40.20 2c3h s PHE 63 CO 0.01 0.54 0.28 -1.59 -0.10 0.00 0.00 175.22 174.35 2c3h s LYS 64 N -1.74 0.91 0.00 0.44 -2.85 -0.41 0.72 119.74 116.81 2c3h s LYS 64 Ca 0.31 -0.81 0.00 0.00 -1.00 0.00 0.00 55.97 54.47 2c3h s LYS 64 Cb -0.14 0.39 0.00 0.00 -2.06 0.00 0.00 37.83 36.01 2c3h s LYS 64 CO 0.17 -0.32 0.00 -0.40 0.10 0.00 0.00 175.35 174.90 2c3h n ASP 65 N -0.03 0.85 -0.42 0.03 5.68 -0.58 0.18 116.55 122.26 2c3h n ASP 65 Ca -0.16 -0.33 0.13 0.00 -0.50 0.00 0.00 54.79 53.93 2c3h n ASP 65 Cb 0.62 0.00 0.31 0.00 -1.14 0.00 0.00 41.12 40.91 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 -0.19 1.24 0.00 0.11 1.74 -1.26 -4.70 116.66 113.60 2c3h n ARG 66 Ca 0.00 -0.84 0.00 0.00 -0.77 0.00 0.00 57.85 56.24 2c3h n ARG 66 Cb 0.00 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 29.96 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 1.32 1.18 0.93 -0.13 0.00 -1.26 -4.98 105.19 102.24 2c3h n GLY 67 Ca 0.13 -1.53 0.12 0.00 0.00 0.00 0.00 46.02 44.75 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 0.21 -2.39 2.61 -2.24 -1.26 -4.95 114.28 106.26 2c3h n THR 68 Ca 0.00 -0.54 -0.42 0.00 -2.27 0.00 0.00 64.05 60.82 2c3h n THR 68 Cb 0.00 1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 69.25 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 -1.76 7.06 0.10 3.42 0.02 -1.26 -4.98 114.94 117.55 2c3h s ASN 69 Ca 0.34 2.11 -0.12 0.00 -1.02 0.00 0.00 52.86 54.16 2c3h s ASN 69 Cb 0.21 -2.59 0.02 0.00 0.02 0.00 0.00 41.25 38.91 2c3h s ASN 69 CO 0.31 -0.45 0.30 0.00 0.02 0.00 0.00 177.10 177.27 2c3h s GLN 70 N 0.65 0.94 -0.21 -0.60 -2.07 -1.26 -1.53 119.66 115.59 2c3h s GLN 70 Ca 0.57 -0.80 -0.04 0.00 -1.82 0.00 0.00 55.36 53.27 2c3h s GLN 70 Cb -0.31 0.40 0.10 0.00 -1.09 0.00 0.00 33.01 32.11 2c3h s GLN 70 CO 0.31 -0.33 0.29 -0.46 -1.32 0.00 0.00 175.29 173.78 2c3h s TRP 71 N -3.71 -0.50 0.68 9.60 -0.11 0.22 -4.20 118.94 120.92 2c3h s TRP 71 Ca 0.03 0.57 -0.11 0.00 1.22 0.00 0.00 56.10 57.81 2c3h s TRP 71 Cb 0.03 -0.17 0.16 0.00 -1.50 0.00 0.00 33.47 32.00 2c3h s TRP 71 CO -0.11 -0.60 0.68 -0.35 -4.62 0.00 0.00 176.95 171.95 2c3h n PRO 72 N 5.34 -1.83 -1.15 5.86 -0.04 -1.26 -0.70 135.00 141.22 2c3h n PRO 72 Ca -0.05 -1.07 -0.29 0.00 -0.04 0.00 0.00 63.50 62.05 2c3h n PRO 72 Cb 0.50 -0.91 0.19 0.00 -0.04 0.00 0.00 33.50 33.24 2c3h n PRO 72 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2c3h s GLY 73 N -3.95 1.56 -0.14 0.55 0.00 -1.26 -4.80 107.32 99.28 2c3h s GLY 73 Ca 0.42 -0.49 -0.36 0.00 0.00 0.00 0.00 44.72 44.29 2c3h s GLY 73 CO 0.32 0.18 1.79 -1.05 0.00 0.00 0.00 173.10 174.34 2c3h n PRO 74 N -4.31 1.75 0.00 2.90 -0.02 -1.26 -0.49 135.00 133.56 2c3h n PRO 74 Ca 0.06 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 2c3h n PRO 74 Cb 0.58 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 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 4.18 2.38 3.77 -1.23 0.00 -1.26 -5.00 105.19 108.03 2c3h n GLY 75 Ca 0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.26 3.98 0.64 1.61 0.41 0.36 -4.92 118.70 120.51 2c3h s GLU 76 Ca 0.00 2.08 -0.18 0.00 -0.41 0.00 0.00 54.97 56.46 2c3h s GLU 76 Cb 0.00 -2.73 -0.01 0.00 -1.78 0.00 0.00 34.13 29.61 2c3h s GLU 76 CO 0.00 -0.46 1.25 -2.14 -0.49 0.00 0.00 175.26 173.42 2c3h s PRO 77 N -2.26 2.62 0.90 0.39 0.02 -1.26 -4.84 135.00 130.57 2c3h s PRO 77 Ca 0.57 1.94 -0.11 0.00 0.02 0.00 0.00 61.00 63.42 2c3h s PRO 77 Cb -0.36 -1.87 0.13 0.00 0.02 0.00 0.00 34.50 32.42 2c3h s PRO 77 CO 0.46 -1.51 1.10 0.20 -0.33 0.00 0.00 177.00 176.92 2c3h s GLY 78 N -1.56 1.64 0.08 0.52 0.00 -1.26 -4.82 107.32 101.92 2c3h s GLY 78 Ca 0.80 0.17 -0.31 0.00 0.00 0.00 0.00 44.72 45.38 2c3h s GLY 78 CO 0.38 0.63 1.36 -1.36 0.00 0.00 0.00 173.10 174.12 2c3h s PHE 79 N -2.80 3.18 0.12 1.90 0.08 -0.13 -4.56 117.98 115.77 2c3h s PHE 79 Ca 0.64 0.98 -0.28 0.00 0.12 0.00 0.00 56.93 58.40 2c3h s PHE 79 Cb -0.20 -3.63 -0.07 0.00 -0.57 0.00 0.00 43.02 38.56 2c3h s PHE 79 CO 0.58 -2.20 0.87 0.12 -0.10 0.00 0.00 175.22 174.49 2c3h s PHE 80 N 1.42 3.84 -0.00 0.36 5.36 -1.26 -0.99 117.98 126.70 2c3h s PHE 80 Ca 0.63 1.69 -0.28 0.00 -0.96 0.00 0.00 56.93 58.01 2c3h s PHE 80 Cb -0.34 -2.92 0.07 0.00 -0.34 0.00 0.00 43.02 39.49 2c3h s PHE 80 CO 0.29 0.33 0.64 1.03 -1.46 0.00 0.00 175.22 176.05 2c3h s ARG 81 N -0.42 1.08 0.00 10.12 1.81 -0.63 -4.97 118.95 125.93 2c3h s ARG 81 Ca 0.41 0.08 0.00 0.00 -1.72 0.00 0.00 55.73 54.50 2c3h s ARG 81 Cb -0.23 0.51 0.00 0.00 -0.45 0.00 0.00 34.95 34.78 2c3h s ARG 81 CO 0.27 -0.37 0.00 -3.47 -0.68 0.00 0.00 175.30 171.06 2c3h n ASP 82 N 0.65 0.00 -3.48 0.23 2.03 -1.16 0.93 116.55 115.75 2c3h n ASP 82 Ca -0.19 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 54.98 2c3h n ASP 82 Cb 0.59 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.95 2c3h n ASP 82 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2c3h s GLN 83 N 0.00 1.17 0.48 -0.67 -2.07 -1.26 -4.81 119.66 112.50 2c3h s GLN 83 Ca 0.00 -0.21 -0.20 0.00 -1.82 0.00 0.00 55.36 53.13 2c3h s GLN 83 Cb 0.00 0.54 -0.12 0.00 -1.09 0.00 0.00 33.01 32.34 2c3h s GLN 83 CO 0.00 -0.46 0.37 -0.25 -1.32 0.00 0.00 175.29 173.64 2c3h n ASP 84 N 0.14 -1.62 0.00 12.60 10.43 -1.26 -4.93 116.55 131.91 2c3h n ASP 84 Ca -0.18 0.80 0.00 0.00 2.57 0.00 0.00 54.79 57.98 2c3h n ASP 84 Cb 0.62 -1.06 0.00 0.00 1.84 0.00 0.00 41.12 42.51 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 1.97 0.07 3.49 0.44 0.00 -1.25 -4.67 105.19 105.25 2c3h n GLY 85 Ca 0.11 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 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 3.12 -0.19 1.61 0.52 -0.36 0.87 118.94 124.52 2c3h s TRP 86 Ca 0.00 -0.28 0.00 0.00 0.02 0.00 0.00 56.10 55.84 2c3h s TRP 86 Cb 0.00 -2.23 0.02 0.00 -1.15 0.00 0.00 33.47 30.11 2c3h s TRP 86 CO 0.00 -0.26 -0.18 0.12 0.02 0.00 0.00 176.95 176.65 2c3h s PHE 87 N 1.45 2.81 -0.08 -1.98 5.36 0.26 -1.33 117.98 124.47 2c3h s PHE 87 Ca 0.06 -1.58 0.16 0.00 -0.96 0.00 0.00 56.93 54.60 2c3h s PHE 87 Cb -0.15 -1.94 0.33 0.00 -0.34 0.00 0.00 43.02 40.92 2c3h s PHE 87 CO 0.04 -0.78 1.15 -0.40 -1.46 0.00 0.00 175.22 173.77 2c3h n ASP 88 N 4.64 1.21 0.00 6.13 3.85 -1.26 -0.59 116.55 130.53 2c3h n ASP 88 Ca -0.21 -2.71 0.00 0.00 -0.71 0.00 0.00 54.79 51.16 2c3h n ASP 88 Cb 0.50 -0.37 0.00 0.00 -1.35 0.00 0.00 41.12 39.90 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 -0.34 0.92 3.16 6.12 0.00 -1.26 -5.00 105.19 108.79 2c3h n GLY 89 Ca 0.10 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 0.92 0.19 1.61 0.41 -1.26 -5.16 118.70 115.41 2c3h s GLU 90 Ca 0.00 -1.43 -0.12 0.00 -0.41 0.00 0.00 54.97 53.01 2c3h s GLU 90 Cb 0.00 0.11 -0.07 0.00 -1.78 0.00 0.00 34.13 32.39 2c3h s GLU 90 CO 0.00 -0.20 0.55 -1.58 -0.49 0.00 0.00 175.26 173.54 2c3h s TRP 91 N -3.93 3.52 -0.11 1.61 0.52 -1.26 -4.22 118.94 115.06 2c3h s TRP 91 Ca 0.21 0.97 -0.07 0.00 0.02 0.00 0.00 56.10 57.24 2c3h s TRP 91 Cb 0.07 -2.32 0.04 0.00 -1.15 0.00 0.00 33.47 30.11 2c3h s TRP 91 CO 0.00 0.35 0.26 -1.01 0.02 0.00 0.00 176.95 176.57 2c3h s HIS 92 N -1.64 -0.33 0.24 -1.98 3.76 -0.44 -5.01 115.29 109.89 2c3h s HIS 92 Ca 0.43 0.77 -0.05 0.00 -0.15 0.00 0.00 55.06 56.06 2c3h s HIS 92 Cb -0.13 0.08 0.26 0.00 1.11 0.00 0.00 32.58 33.90 2c3h s HIS 92 CO 0.20 -0.20 1.78 -0.39 -0.85 0.00 0.00 174.74 175.28 2c3h h VAL 93 N 5.36 1.25 -3.36 -0.90 -1.51 -1.88 -0.95 116.25 114.26 2c3h h VAL 93 Ca -0.34 -0.87 -0.65 0.00 -1.23 0.00 0.00 66.70 63.61 2c3h h VAL 93 Cb 1.17 0.55 -0.13 0.00 -2.13 0.00 0.00 31.29 30.76 2c3h h VAL 93 CO 0.36 0.33 -0.68 -1.81 -1.23 0.00 0.00 177.57 174.54 2c3h s ASP 94 N -6.50 4.87 0.24 4.19 1.01 -1.26 -4.51 116.67 114.71 2c3h s ASP 94 Ca -0.11 -0.24 -0.31 0.00 0.71 0.00 0.00 52.55 52.60 2c3h s ASP 94 Cb 0.15 -1.10 -0.12 0.00 1.01 0.00 0.00 42.92 42.86 2c3h s ASP 94 CO 0.82 0.17 1.63 -1.14 0.21 0.00 0.00 175.17 176.86 2c3h n ARG 95 N 0.54 2.61 0.00 8.23 0.63 -1.26 -4.83 116.66 122.57 2c3h n ARG 95 Ca -0.11 0.94 0.00 0.00 -0.92 0.00 0.00 57.85 57.75 2c3h n ARG 95 Cb 0.52 -2.73 0.00 0.00 0.45 0.00 0.00 32.46 30.70 2c3h n ARG 95 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82