#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c3w s ALA 9 N 0.00 2.54 0.00 2.24 0.00 -1.26 -4.90 121.76 120.38 2c3w s ALA 9 Ca 0.00 0.89 0.00 0.00 0.00 0.00 0.00 51.96 52.85 2c3w s ALA 9 Cb 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.71 2c3w s ALA 9 CO 0.00 -1.13 0.00 0.25 0.00 0.00 0.00 175.76 174.88 2c3w n THR 10 N -1.72 0.00 -1.32 0.00 -2.24 -1.26 -3.77 114.28 103.97 2c3w n THR 10 Ca 0.13 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.56 2c3w n THR 10 Cb 0.50 -0.52 0.11 0.00 -2.10 0.00 0.00 70.33 68.33 2c3w n THR 10 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2c3w s ASP 11 N 0.28 3.92 -0.39 3.42 -0.00 -1.13 -4.28 116.67 118.48 2c3w s ASP 11 Ca 0.00 2.45 -0.11 0.00 -0.00 0.00 0.00 52.55 54.89 2c3w s ASP 11 Cb 0.00 -2.60 0.04 0.00 -0.00 0.00 0.00 42.92 40.36 2c3w s ASP 11 CO 0.00 -2.45 0.23 -0.63 -0.00 0.00 0.00 175.17 172.32 2c3w s ILE 12 N -1.90 4.56 -0.15 0.77 1.01 -0.33 -1.04 121.20 124.12 2c3w s ILE 12 Ca 0.76 -0.99 -0.02 0.00 0.00 0.00 0.00 60.65 60.40 2c3w s ILE 12 Cb -0.32 -3.61 -0.02 0.00 0.01 0.00 0.00 42.46 38.52 2c3w s ILE 12 CO 0.47 -0.32 -0.07 -0.89 0.00 0.00 0.00 174.94 174.13 2c3w s THR 13 N 1.53 3.58 -0.10 2.92 2.01 -0.26 -0.95 115.64 124.37 2c3w s THR 13 Ca 0.02 -0.47 0.00 0.00 0.31 0.00 0.00 61.69 61.55 2c3w s THR 13 Cb -0.20 -2.55 0.02 0.00 0.01 0.00 0.00 72.50 69.78 2c3w s THR 13 CO 0.06 0.50 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.78 2c3w s ILE 14 N 0.39 1.02 -0.07 1.82 1.01 -0.26 -1.46 121.20 123.65 2c3w s ILE 14 Ca -0.06 -0.31 -0.13 0.00 0.00 0.00 0.00 60.65 60.15 2c3w s ILE 14 Cb -0.15 -1.03 -0.05 0.00 0.01 0.00 0.00 42.46 41.25 2c3w s ILE 14 CO 0.04 0.36 0.32 -0.31 0.00 0.00 0.00 174.94 175.35 2c3w s TYR 15 N 1.53 3.62 -0.08 3.97 2.02 -0.14 -1.47 117.35 126.80 2c3w s TYR 15 Ca 0.02 0.79 -0.00 0.00 -0.37 0.00 0.00 57.07 57.50 2c3w s TYR 15 Cb -0.13 -2.24 0.03 0.00 -0.40 0.00 0.00 41.96 39.22 2c3w s TYR 15 CO -0.06 0.54 -0.04 -0.47 -1.57 0.00 0.00 175.55 173.95 2c3w s TYR 16 N -0.60 1.00 -0.33 2.71 5.04 0.13 -0.57 117.35 124.72 2c3w s TYR 16 Ca 0.20 -0.39 -0.29 0.00 -2.44 0.00 0.00 57.07 54.16 2c3w s TYR 16 Cb -0.15 -0.94 0.01 0.00 0.35 0.00 0.00 41.96 41.23 2c3w s TYR 16 CO 0.09 -0.37 1.25 0.21 -1.34 0.00 0.00 175.55 175.39 2c3w s LYS 17 N 1.65 3.91 0.02 4.97 2.20 -0.34 -1.26 119.74 130.88 2c3w s LYS 17 Ca 0.01 1.13 -0.28 0.00 -0.36 0.00 0.00 55.97 56.47 2c3w s LYS 17 Cb -0.13 -3.86 0.07 0.00 -1.51 0.00 0.00 37.83 32.40 2c3w s LYS 17 CO -0.05 -1.13 0.66 -0.08 -0.36 0.00 0.00 175.35 174.39 2c3w s THR 18 N 4.30 0.00 -2.34 3.43 -1.32 -0.63 -4.76 115.64 114.32 2c3w s THR 18 Ca 0.54 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 61.25 2c3w s THR 18 Cb -0.15 -1.00 0.10 0.00 -1.51 0.00 0.00 72.50 69.94 2c3w s THR 18 CO 0.23 0.00 1.21 0.61 -2.21 0.00 0.00 174.62 174.46 2c3w n GLY 19 N 0.49 0.29 3.69 6.08 0.00 -1.26 -4.44 105.19 110.03 2c3w n GLY 19 Ca -0.18 -0.63 -0.44 0.00 0.00 0.00 0.00 46.02 44.77 2c3w n GLY 19 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2c3w n TRP 20 N 0.37 2.28 0.09 1.61 8.01 -1.26 -4.90 117.44 123.65 2c3w n TRP 20 Ca 0.11 0.46 -0.03 0.00 -1.31 0.00 0.00 57.50 56.73 2c3w n TRP 20 Cb 0.50 -2.46 -0.06 0.00 -2.01 0.00 0.00 31.31 27.28 2c3w n TRP 20 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.69 177.83 2c3w h THR 21 N 2.89 1.35 -1.69 -0.99 2.02 -1.93 -3.37 112.91 111.18 2c3w h THR 21 Ca -0.46 -2.90 -0.53 0.00 0.77 0.00 0.00 66.41 63.29 2c3w h THR 21 Cb 1.27 2.66 -0.41 0.00 -1.74 0.00 0.00 68.15 69.93 2c3w h THR 21 CO 0.71 0.77 -0.85 1.41 0.37 0.00 0.00 175.52 177.92 2c3w n HIS 22 N -3.30 2.76 -2.08 3.16 8.25 -1.26 -5.10 115.22 117.65 2c3w n HIS 22 Ca 0.01 -3.39 -0.41 0.00 -0.26 0.00 0.00 57.72 53.67 2c3w n HIS 22 Cb 0.85 -0.29 -0.02 0.00 1.12 0.00 0.00 29.99 31.64 2c3w n HIS 22 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2c3w s PRO 23 N -3.30 4.32 0.14 -0.41 0.04 -1.26 -2.80 135.00 131.73 2c3w s PRO 23 Ca 0.43 2.23 0.07 0.00 0.04 0.00 0.00 61.00 63.77 2c3w s PRO 23 Cb 0.37 -3.11 -0.04 0.00 0.04 0.00 0.00 34.50 31.76 2c3w s PRO 23 CO -0.12 -0.30 -0.17 -1.01 0.04 0.00 0.00 177.00 175.44 2c3w s HIS 24 N -0.42 1.63 -0.20 0.56 3.76 0.48 -1.56 115.29 119.54 2c3w s HIS 24 Ca 0.55 -0.50 -0.02 0.00 -0.15 0.00 0.00 55.06 54.94 2c3w s HIS 24 Cb -0.40 -0.84 -0.00 0.00 1.11 0.00 0.00 32.58 32.45 2c3w s HIS 24 CO 0.46 0.23 -0.10 -1.50 -0.85 0.00 0.00 174.74 172.98 2c3w s ILE 25 N -1.96 2.94 -0.20 0.60 2.07 0.81 -1.26 121.20 124.18 2c3w s ILE 25 Ca 0.11 -0.65 -0.06 0.00 -1.41 0.00 0.00 60.65 58.64 2c3w s ILE 25 Cb -0.06 -2.30 -0.03 0.00 0.13 0.00 0.00 42.46 40.20 2c3w s ILE 25 CO 0.05 0.47 0.03 -2.28 -1.91 0.00 0.00 174.94 171.30 2c3w s HIS 26 N 1.26 3.11 0.12 3.50 5.65 -0.31 -1.10 115.29 127.53 2c3w s HIS 26 Ca 0.03 -0.28 -0.15 0.00 0.25 0.00 0.00 55.06 54.91 2c3w s HIS 26 Cb -0.14 -2.11 0.03 0.00 -1.18 0.00 0.00 32.58 29.18 2c3w s HIS 26 CO -0.05 -0.14 0.37 1.52 -0.65 0.00 0.00 174.74 175.80 2c3w s TYR 27 N 0.91 -0.16 -0.20 3.88 -0.85 -1.26 -0.77 117.35 118.91 2c3w s TYR 27 Ca 0.02 -0.17 -0.00 0.00 -0.52 0.00 0.00 57.07 56.40 2c3w s TYR 27 Cb -0.14 0.21 0.02 0.00 0.38 0.00 0.00 41.96 42.43 2c3w s TYR 27 CO 0.02 -0.68 -0.15 0.45 -1.52 0.00 0.00 175.55 173.68 2c3w s SER 28 N -2.79 3.53 -0.19 -0.18 0.15 -0.29 -0.97 113.70 112.96 2c3w s SER 28 Ca 0.03 -0.63 -0.15 0.00 0.70 0.00 0.00 55.95 55.90 2c3w s SER 28 Cb 0.02 -1.56 -0.04 0.00 -1.71 0.00 0.00 66.02 62.73 2c3w s SER 28 CO -0.12 -0.02 0.35 -0.22 1.20 0.00 0.00 173.24 174.43 2c3w s LEU 29 N 1.33 4.18 -1.57 3.45 2.96 -1.26 -1.49 118.68 126.27 2c3w s LEU 29 Ca 0.04 0.48 -0.13 0.00 -0.22 0.00 0.00 54.13 54.30 2c3w s LEU 29 Cb -0.14 -2.44 0.10 0.00 0.50 0.00 0.00 46.19 44.21 2c3w s LEU 29 CO -0.10 -0.01 0.79 0.59 -1.32 0.00 0.00 176.35 176.30 2c3w n ASN 30 N 4.19 -3.19 -0.99 3.68 3.02 0.64 -1.16 115.26 121.45 2c3w n ASN 30 Ca -0.10 -0.92 -0.13 0.00 -0.03 0.00 0.00 54.58 53.40 2c3w n ASN 30 Cb 0.51 -3.28 -0.06 0.00 -0.61 0.00 0.00 39.78 36.35 2c3w n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2c3w n GLN 31 N -4.49 -1.11 -0.12 3.52 6.02 -1.26 -4.99 117.38 114.96 2c3w n GLN 31 Ca -0.02 0.93 0.00 0.00 -0.01 0.00 0.00 57.00 57.90 2c3w n GLN 31 Cb 0.55 -5.07 0.00 0.00 1.02 0.00 0.00 30.24 26.74 2c3w n GLN 31 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2c3w n GLY 32 N -0.97 -0.47 3.67 1.08 0.00 -0.31 -5.01 105.19 103.18 2c3w n GLY 32 Ca -0.13 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 2c3w n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3w n ALA 33 N -3.00 0.85 -1.77 4.61 0.00 -1.26 -4.54 120.51 115.39 2c3w n ALA 33 Ca 0.00 0.29 -0.38 0.00 0.00 0.00 0.00 53.44 53.35 2c3w n ALA 33 Cb 0.00 -2.19 -0.04 0.00 0.00 0.00 0.00 19.45 17.22 2c3w n ALA 33 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2c3w s TRP 34 N -1.18 3.32 0.67 0.00 0.52 -1.26 -4.20 118.94 116.80 2c3w s TRP 34 Ca 0.60 1.64 -0.17 0.00 0.02 0.00 0.00 56.10 58.19 2c3w s TRP 34 Cb -0.55 -3.24 -0.02 0.00 -1.15 0.00 0.00 33.47 28.50 2c3w s TRP 34 CO 0.59 -0.78 0.91 0.25 0.02 0.00 0.00 176.95 177.94 2c3w n THR 35 N 0.37 3.16 -1.68 2.01 -2.24 -0.14 -4.91 114.28 110.85 2c3w n THR 35 Ca 0.03 -0.44 -0.45 0.00 -2.27 0.00 0.00 64.05 60.92 2c3w n THR 35 Cb 0.47 -1.07 -0.04 0.00 -2.10 0.00 0.00 70.33 67.59 2c3w n THR 35 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2c3w n THR 36 N -2.14 0.37 -1.70 4.28 -1.04 -1.26 -4.74 114.28 108.05 2c3w n THR 36 Ca 0.13 -0.07 -0.43 0.00 -2.04 0.00 0.00 64.05 61.64 2c3w n THR 36 Cb 0.49 -1.90 -0.02 0.00 -1.82 0.00 0.00 70.33 67.08 2c3w n THR 36 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2c3w n LEU 37 N 5.54 3.57 -1.48 -4.42 4.77 -1.26 -0.33 117.00 123.39 2c3w n LEU 37 Ca 0.19 1.16 0.07 0.00 -0.03 0.00 0.00 56.01 57.40 2c3w n LEU 37 Cb 0.33 -1.49 0.31 0.00 -2.33 0.00 0.00 43.42 40.24 2c3w n LEU 37 CO 0.68 -0.29 0.74 -0.81 -1.33 0.00 0.00 177.39 176.38 2c3w n PRO 38 N 1.80 3.66 0.00 3.23 -0.04 -1.26 -5.10 135.00 137.29 2c3w n PRO 38 Ca 0.09 -2.43 0.00 0.00 -0.04 0.00 0.00 63.50 61.13 2c3w n PRO 38 Cb 0.34 -1.94 0.00 0.00 -0.04 0.00 0.00 33.50 31.86 2c3w n PRO 38 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2c3w n GLY 39 N 0.76 -1.10 3.72 0.55 0.00 0.56 -4.09 105.19 105.60 2c3w n GLY 39 Ca 0.22 -1.57 -0.35 0.00 0.00 0.00 0.00 46.02 44.31 2c3w n GLY 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c3w s VAL 40 N 0.00 4.82 0.42 1.61 1.01 -0.25 -4.81 120.40 123.19 2c3w s VAL 40 Ca 0.00 -0.04 -0.25 0.00 0.00 0.00 0.00 61.98 61.69 2c3w s VAL 40 Cb 0.00 -3.10 -0.08 0.00 0.00 0.00 0.00 36.38 33.20 2c3w s VAL 40 CO 0.00 0.56 1.23 -2.16 0.00 0.00 0.00 175.10 174.73 2c3w s PRO 41 N -0.48 3.91 0.29 2.72 0.04 -1.26 -0.14 135.00 140.08 2c3w s PRO 41 Ca 0.10 1.97 -0.10 0.00 0.04 0.00 0.00 61.00 63.02 2c3w s PRO 41 Cb -0.12 -2.63 -0.07 0.00 0.04 0.00 0.00 34.50 31.72 2c3w s PRO 41 CO 0.02 -0.48 0.62 -0.51 0.04 0.00 0.00 177.00 176.69 2c3w s LEU 42 N -2.63 4.06 0.29 -3.56 1.02 -0.60 -4.85 118.68 112.41 2c3w s LEU 42 Ca 0.59 0.97 0.08 0.00 0.02 0.00 0.00 54.13 55.79 2c3w s LEU 42 Cb -0.34 -3.77 -0.04 0.00 0.02 0.00 0.00 46.19 42.06 2c3w s LEU 42 CO 0.42 -0.19 0.15 0.42 0.02 0.00 0.00 176.35 177.18 2c3w s THR 43 N -2.02 3.67 0.35 5.49 -4.23 -0.07 -4.73 115.64 114.10 2c3w s THR 43 Ca 0.48 -1.59 -0.29 0.00 -1.18 0.00 0.00 61.69 59.12 2c3w s THR 43 Cb -0.11 -3.12 -0.11 0.00 1.34 0.00 0.00 72.50 70.50 2c3w s THR 43 CO 0.25 -0.28 1.49 -0.54 -0.54 0.00 0.00 174.62 175.00 2c3w s LYS 44 N -3.83 4.14 0.54 3.99 1.02 -1.26 -0.66 119.74 123.68 2c3w s LYS 44 Ca 0.35 2.53 0.09 0.00 0.02 0.00 0.00 55.97 58.97 2c3w s LYS 44 Cb -0.06 -3.00 0.07 0.00 -0.52 0.00 0.00 37.83 34.33 2c3w s LYS 44 CO 0.23 -0.52 0.75 -1.54 -0.92 0.00 0.00 175.35 173.36 2c3w s SER 45 N -0.02 5.21 0.00 2.83 1.04 -1.05 -4.61 113.70 117.10 2c3w s SER 45 Ca 0.55 -0.77 0.22 0.00 0.48 0.00 0.00 55.95 56.43 2c3w s SER 45 Cb -0.46 0.12 1.22 0.00 0.10 0.00 0.00 66.02 66.99 2c3w s SER 45 CO 0.58 -1.23 1.70 -1.84 0.98 0.00 0.00 173.24 173.43 2c3w n GLU 46 N -2.17 0.51 -4.79 4.02 0.00 -1.26 -4.70 120.64 112.25 2c3w n GLU 46 Ca 0.14 0.04 -0.33 0.00 0.00 0.00 0.00 57.16 57.02 2c3w n GLU 46 Cb 0.61 -1.50 -0.16 0.00 0.00 0.00 0.00 31.44 30.39 2c3w n GLU 46 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 2c3w s TYR 47 N -2.27 2.69 0.22 -1.84 2.02 -1.26 -5.11 117.35 111.79 2c3w s TYR 47 Ca 0.27 -1.09 -0.32 0.00 -0.37 0.00 0.00 57.07 55.56 2c3w s TYR 47 Cb 0.15 -1.81 -0.13 0.00 -0.40 0.00 0.00 41.96 39.76 2c3w s TYR 47 CO 0.29 -0.47 1.50 -1.91 -1.57 0.00 0.00 175.55 173.39 2c3w n GLU 48 N 3.85 2.16 -0.44 -0.62 2.13 -1.26 -2.45 120.64 124.01 2c3w n GLU 48 Ca -0.19 0.77 0.00 0.00 0.66 0.00 0.00 57.16 58.40 2c3w n GLU 48 Cb 0.52 -2.49 0.00 0.00 0.27 0.00 0.00 31.44 29.74 2c3w n GLU 48 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2c3w n GLY 49 N 2.66 1.04 3.15 8.31 0.00 -1.26 -5.03 105.19 114.06 2c3w n GLY 49 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 2c3w n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2c3w s TYR 50 N -3.03 1.76 0.45 1.61 1.51 -1.02 -1.61 117.35 117.02 2c3w s TYR 50 Ca 0.00 -0.49 0.07 0.00 -1.01 0.00 0.00 57.07 55.65 2c3w s TYR 50 Cb 0.00 -1.17 -0.00 0.00 -0.11 0.00 0.00 41.96 40.67 2c3w s TYR 50 CO 0.00 -0.15 0.41 0.14 -1.11 0.00 0.00 175.55 174.84 2c3w s VAL 51 N -0.02 2.41 0.10 0.71 -7.23 -0.39 -2.54 120.40 113.43 2c3w s VAL 51 Ca -0.03 -1.35 -0.11 0.00 -1.81 0.00 0.00 61.98 58.68 2c3w s VAL 51 Cb -0.11 -2.76 0.01 0.00 0.56 0.00 0.00 36.38 34.08 2c3w s VAL 51 CO 0.02 0.00 0.26 -1.59 -0.31 0.00 0.00 175.10 173.48 2c3w s LYS 52 N -4.20 0.92 -0.07 4.82 -2.85 0.16 -0.70 119.74 117.83 2c3w s LYS 52 Ca 0.46 -0.88 -0.22 0.00 -1.00 0.00 0.00 55.97 54.34 2c3w s LYS 52 Cb -0.03 0.38 0.05 0.00 -2.06 0.00 0.00 37.83 36.17 2c3w s LYS 52 CO 0.27 -0.32 0.50 0.54 0.10 0.00 0.00 175.35 176.45 2c3w s VAL 53 N -3.84 0.02 -0.17 1.79 0.11 -0.54 -0.89 120.40 116.87 2c3w s VAL 53 Ca 0.04 -0.18 0.01 0.00 -2.93 0.00 0.00 61.98 58.92 2c3w s VAL 53 Cb 0.04 -0.79 0.01 0.00 -1.53 0.00 0.00 36.38 34.11 2c3w s VAL 53 CO -0.11 -0.10 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.48 2c3w s THR 54 N -0.89 2.22 -0.31 5.04 2.01 -1.26 -1.10 115.64 121.35 2c3w s THR 54 Ca -0.09 -0.90 -0.14 0.00 0.31 0.00 0.00 61.69 60.87 2c3w s THR 54 Cb -0.03 -1.93 -0.03 0.00 0.01 0.00 0.00 72.50 70.52 2c3w s THR 54 CO 0.06 0.53 0.33 -0.63 -0.69 0.00 0.00 174.62 174.21 2c3w s ILE 55 N 1.18 5.20 0.14 1.82 -1.09 -0.12 -4.96 121.20 123.36 2c3w s ILE 55 Ca 0.02 0.23 -0.33 0.00 -2.23 0.00 0.00 60.65 58.34 2c3w s ILE 55 Cb -0.14 -3.72 -0.12 0.00 -1.58 0.00 0.00 42.46 36.90 2c3w s ILE 55 CO -0.09 0.06 1.71 1.21 -1.23 0.00 0.00 174.94 176.59 2c3w n GLU 56 N 5.30 2.46 -3.49 2.79 2.13 -1.26 -1.18 120.64 127.38 2c3w n GLU 56 Ca -0.10 0.89 -0.12 0.00 0.66 0.00 0.00 57.16 58.50 2c3w n GLU 56 Cb 0.50 -2.72 -0.03 0.00 0.27 0.00 0.00 31.44 29.47 2c3w n GLU 56 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2c3w s ALA 57 N 1.72 -1.39 0.63 4.31 0.00 -1.26 -4.89 121.76 120.89 2c3w s ALA 57 Ca 0.80 0.33 -0.09 0.00 0.00 0.00 0.00 51.96 53.00 2c3w s ALA 57 Cb -0.59 0.80 -0.00 0.00 0.00 0.00 0.00 23.12 23.33 2c3w s ALA 57 CO 0.38 -0.72 1.00 -1.21 0.00 0.00 0.00 175.76 175.21 2c3w s GLU 58 N -3.70 3.10 0.24 0.00 2.02 -1.26 -2.85 118.70 116.25 2c3w s GLU 58 Ca 0.01 0.37 -0.29 0.00 0.02 0.00 0.00 54.97 55.08 2c3w s GLU 58 Cb -0.00 -2.14 -0.15 0.00 0.10 0.00 0.00 34.13 31.94 2c3w s GLU 58 CO -0.12 -0.77 0.86 -1.91 0.02 0.00 0.00 175.26 173.34 2c3w n GLU 59 N -2.77 0.84 -1.87 1.61 2.13 -1.26 -2.65 120.64 116.67 2c3w n GLU 59 Ca 0.05 0.30 -0.10 0.00 0.66 0.00 0.00 57.16 58.07 2c3w n GLU 59 Cb 0.56 -1.55 -0.02 0.00 0.27 0.00 0.00 31.44 30.70 2c3w n GLU 59 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2c3w n GLY 60 N 1.57 0.38 3.91 8.31 0.00 -1.25 -5.02 105.19 113.10 2c3w n GLY 60 Ca 0.13 -0.50 -0.27 0.00 0.00 0.00 0.00 46.02 45.38 2c3w n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2c3w s SER 61 N -2.67 5.97 -0.02 1.61 0.01 -1.08 -4.94 113.70 112.58 2c3w s SER 61 Ca 0.00 0.88 -0.10 0.00 1.31 0.00 0.00 55.95 58.04 2c3w s SER 61 Cb 0.00 -2.04 0.01 0.00 0.21 0.00 0.00 66.02 64.21 2c3w s SER 61 CO 0.00 -0.81 0.22 -1.58 0.41 0.00 0.00 173.24 171.47 2c3w s GLN 62 N -4.89 0.50 0.12 12.44 0.74 -1.26 -1.43 119.66 125.89 2c3w s GLN 62 Ca 0.51 -0.18 0.04 0.00 0.05 0.00 0.00 55.36 55.78 2c3w s GLN 62 Cb -0.10 0.22 -0.04 0.00 1.10 0.00 0.00 33.01 34.18 2c3w s GLN 62 CO 0.46 -0.12 -0.10 -0.48 -0.55 0.00 0.00 175.29 174.50 2c3w s LEU 63 N -1.06 2.48 -0.10 3.68 0.05 0.37 -0.26 118.68 123.84 2c3w s LEU 63 Ca -0.11 -0.93 -0.00 0.00 0.05 0.00 0.00 54.13 53.14 2c3w s LEU 63 Cb -0.06 -0.32 -0.02 0.00 -2.05 0.00 0.00 46.19 43.74 2c3w s LEU 63 CO 0.02 -0.31 -0.09 -0.13 -0.55 0.00 0.00 176.35 175.29 2c3w s ARG 64 N -3.36 3.12 0.01 1.48 0.52 -0.56 -1.43 118.95 118.74 2c3w s ARG 64 Ca 0.12 -0.61 -0.02 0.00 -0.52 0.00 0.00 55.73 54.70 2c3w s ARG 64 Cb 0.00 -2.64 -0.01 0.00 0.52 0.00 0.00 34.95 32.83 2c3w s ARG 64 CO 0.00 0.42 0.03 0.00 0.02 0.00 0.00 175.30 175.76 2c3w s ALA 65 N -0.16 -0.04 -0.03 2.13 0.00 0.42 -1.13 121.76 122.95 2c3w s ALA 65 Ca 0.01 -0.28 0.03 0.00 0.00 0.00 0.00 51.96 51.72 2c3w s ALA 65 Cb -0.13 0.07 -0.00 0.00 0.00 0.00 0.00 23.12 23.06 2c3w s ALA 65 CO 0.03 -0.13 -0.12 0.00 0.00 0.00 0.00 175.76 175.54 2c3w s ALA 66 N -0.99 1.12 0.17 0.00 0.00 0.05 -0.48 121.76 121.63 2c3w s ALA 66 Ca -0.11 -0.48 -0.02 0.00 0.00 0.00 0.00 51.96 51.34 2c3w s ALA 66 Cb -0.07 -0.38 -0.05 0.00 0.00 0.00 0.00 23.12 22.63 2c3w s ALA 66 CO -0.00 0.20 0.38 -0.06 0.00 0.00 0.00 175.76 176.28 2c3w s PHE 67 N 0.08 3.48 0.17 0.00 0.08 -0.52 -1.16 117.98 120.11 2c3w s PHE 67 Ca -0.02 0.43 -0.10 0.00 0.12 0.00 0.00 56.93 57.36 2c3w s PHE 67 Cb -0.09 -1.92 -0.00 0.00 -0.57 0.00 0.00 43.02 40.44 2c3w s PHE 67 CO 0.01 0.41 0.32 0.54 -0.10 0.00 0.00 175.22 176.40 2c3w s ASN 68 N -2.83 -0.00 -0.04 1.36 4.22 -0.39 -0.09 114.94 117.16 2c3w s ASN 68 Ca 0.39 -0.83 0.11 0.00 -2.14 0.00 0.00 52.86 50.40 2c3w s ASN 68 Cb -0.12 0.46 0.41 0.00 1.28 0.00 0.00 41.25 43.28 2c3w s ASN 68 CO 0.27 -0.93 1.28 -0.46 -2.04 0.00 0.00 177.10 175.23 2c3w n ASN 69 N -0.24 2.74 0.00 3.54 2.04 0.09 -0.39 115.26 123.05 2c3w n ASN 69 Ca -0.07 -2.17 0.00 0.00 -0.44 0.00 0.00 54.58 51.90 2c3w n ASN 69 Cb 0.63 -0.39 0.00 0.00 -2.53 0.00 0.00 39.78 37.49 2c3w n ASN 69 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2c3w n GLY 70 N 0.92 1.40 1.47 4.83 0.00 -1.12 -4.32 105.19 108.37 2c3w n GLY 70 Ca 0.15 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.20 2c3w n GLY 70 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2c3w n SER 71 N 0.00 1.34 0.00 1.61 7.64 -1.26 -5.02 113.62 117.93 2c3w n SER 71 Ca 0.00 -2.45 0.00 0.00 1.01 0.00 0.00 58.87 57.43 2c3w n SER 71 Cb 0.00 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 2c3w n SER 71 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2c3w n GLY 72 N 0.01 0.59 3.82 0.23 0.00 -1.26 -5.05 105.19 103.53 2c3w n GLY 72 Ca 0.10 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 2c3w n GLY 72 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2c3w s GLN 73 N -0.22 3.78 0.18 1.61 -1.52 -1.26 -4.99 119.66 117.24 2c3w s GLN 73 Ca 0.00 -0.07 0.11 0.00 -1.95 0.00 0.00 55.36 53.45 2c3w s GLN 73 Cb 0.00 -3.28 -0.04 0.00 -0.22 0.00 0.00 33.01 29.47 2c3w s GLN 73 CO 0.00 0.58 -0.23 -1.58 -0.25 0.00 0.00 175.29 173.81 2c3w s TRP 74 N -0.50 2.23 -0.37 0.91 0.52 -1.26 -0.73 118.94 119.74 2c3w s TRP 74 Ca 0.14 -0.37 0.01 0.00 0.02 0.00 0.00 56.10 55.90 2c3w s TRP 74 Cb -0.12 -1.11 0.11 0.00 -1.15 0.00 0.00 33.47 31.20 2c3w s TRP 74 CO 0.03 0.46 0.15 0.34 0.02 0.00 0.00 176.95 177.96 2c3w s ASP 75 N -2.61 4.01 -0.15 2.95 2.15 0.87 -4.97 116.67 118.92 2c3w s ASP 75 Ca 0.19 -2.15 0.16 0.00 0.43 0.00 0.00 52.55 51.18 2c3w s ASP 75 Cb -0.08 -1.08 0.32 0.00 -0.30 0.00 0.00 42.92 41.78 2c3w s ASP 75 CO 0.09 -0.35 1.17 -0.46 -0.17 0.00 0.00 175.17 175.45 2c3w n ASN 76 N 4.19 2.06 -3.43 -0.34 0.23 -1.26 -1.44 115.26 115.27 2c3w n ASN 76 Ca 0.03 -3.29 -0.17 0.00 -0.53 0.00 0.00 54.58 50.62 2c3w n ASN 76 Cb 0.39 -0.45 0.09 0.00 -2.08 0.00 0.00 39.78 37.72 2c3w n ASN 76 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2c3w n ASN 77 N -1.27 -2.34 -2.83 0.53 5.15 -1.26 -0.58 115.26 112.66 2c3w n ASN 77 Ca 0.16 -0.63 -0.21 0.00 -0.60 0.00 0.00 54.58 53.30 2c3w n ASN 77 Cb 0.66 -5.10 0.04 0.00 -0.53 0.00 0.00 39.78 34.85 2c3w n ASN 77 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2c3w n GLN 78 N -4.07 -4.74 -0.96 1.20 1.13 -1.26 -1.49 117.38 107.19 2c3w n GLN 78 Ca -0.27 0.84 0.00 0.00 -1.94 0.00 0.00 57.00 55.62 2c3w n GLN 78 Cb 0.67 -5.56 0.00 0.00 0.11 0.00 0.00 30.24 25.46 2c3w n GLN 78 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2c3w n GLY 79 N -1.50 0.91 0.03 1.08 0.00 -0.91 -4.89 105.19 99.91 2c3w n GLY 79 Ca -0.10 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.04 2c3w n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c3w n ARG 80 N -2.14 0.25 -0.78 1.61 1.74 -0.56 -5.08 116.66 111.70 2c3w n ARG 80 Ca 0.00 0.01 0.10 0.00 -0.77 0.00 0.00 57.85 57.19 2c3w n ARG 80 Cb 0.00 -1.60 -0.04 0.00 -1.02 0.00 0.00 32.46 29.80 2c3w n ARG 80 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2c3w n ASP 81 N -1.92 -4.50 -4.68 0.55 8.00 0.26 -4.96 116.55 109.29 2c3w n ASP 81 Ca 0.03 0.64 -0.34 0.00 0.71 0.00 0.00 54.79 55.82 2c3w n ASP 81 Cb 0.42 -2.57 -0.09 0.00 -0.02 0.00 0.00 41.12 38.86 2c3w n ASP 81 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2c3w s TYR 82 N -3.03 3.13 -0.22 1.24 2.02 0.37 -4.76 117.35 116.10 2c3w s TYR 82 Ca 0.00 0.15 -0.06 0.00 -0.37 0.00 0.00 57.07 56.79 2c3w s TYR 82 Cb 0.00 -1.75 -0.03 0.00 -0.40 0.00 0.00 41.96 39.78 2c3w s TYR 82 CO 0.00 0.46 0.04 -0.51 -1.57 0.00 0.00 175.55 173.98 2c3w s ASP 83 N -1.10 5.12 -0.05 2.29 1.01 -1.26 -0.44 116.67 122.24 2c3w s ASP 83 Ca 0.15 -0.15 0.05 0.00 0.71 0.00 0.00 52.55 53.31 2c3w s ASP 83 Cb -0.11 -1.89 -0.00 0.00 1.01 0.00 0.00 42.92 41.92 2c3w s ASP 83 CO 0.05 0.04 -0.19 -0.36 0.21 0.00 0.00 175.17 174.92 2c3w s PHE 84 N 1.14 1.90 0.34 4.23 0.08 -0.51 -4.99 117.98 120.18 2c3w s PHE 84 Ca 0.04 -0.57 0.07 0.00 0.12 0.00 0.00 56.93 56.59 2c3w s PHE 84 Cb -0.14 -1.27 -0.02 0.00 -0.57 0.00 0.00 43.02 41.01 2c3w s PHE 84 CO 0.03 -0.20 0.36 -1.54 -0.10 0.00 0.00 175.22 173.77 2c3w s SER 85 N 0.05 5.49 0.20 1.36 1.04 -1.26 -0.48 113.70 120.10 2c3w s SER 85 Ca -0.05 -0.42 -0.30 0.00 0.48 0.00 0.00 55.95 55.66 2c3w s SER 85 Cb -0.13 -1.01 -0.16 0.00 0.10 0.00 0.00 66.02 64.83 2c3w s SER 85 CO 0.03 -0.42 0.89 -1.20 0.98 0.00 0.00 173.24 173.53 2c3w n SER 86 N -1.49 0.34 0.00 7.02 7.64 -0.51 -4.66 113.62 121.96 2c3w n SER 86 Ca -0.00 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.03 2c3w n SER 86 Cb 0.59 -1.12 0.00 0.00 -1.01 0.00 0.00 64.21 62.67 2c3w n SER 86 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2c3w n GLY 87 N 1.72 -0.28 3.46 0.23 0.00 -0.21 -4.84 105.19 105.27 2c3w n GLY 87 Ca 0.15 -2.20 -0.33 0.00 0.00 0.00 0.00 46.02 43.63 2c3w n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c3w s VAL 88 N 0.00 3.48 0.05 1.61 1.01 -1.26 -1.10 120.40 124.19 2c3w s VAL 88 Ca 0.00 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 2c3w s VAL 88 Cb 0.00 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 2c3w s VAL 88 CO 0.00 0.53 -0.02 -1.00 0.00 0.00 0.00 175.10 174.61 2c3w s HIS 89 N 0.13 0.48 -0.11 5.22 4.02 -0.53 -0.96 115.29 123.53 2c3w s HIS 89 Ca -0.04 -0.99 0.02 0.00 1.02 0.00 0.00 55.06 55.07 2c3w s HIS 89 Cb -0.14 -0.36 0.01 0.00 -1.02 0.00 0.00 32.58 31.07 2c3w s HIS 89 CO 0.04 -0.37 -0.17 0.99 1.02 0.00 0.00 174.74 176.25 2c3w s THR 90 N -3.67 1.63 -0.28 1.30 2.01 0.16 -0.96 115.64 115.84 2c3w s THR 90 Ca 0.05 -0.74 -0.13 0.00 0.31 0.00 0.00 61.69 61.18 2c3w s THR 90 Cb 0.06 -1.46 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 2c3w s THR 90 CO -0.09 0.47 0.28 -0.22 -0.69 0.00 0.00 174.62 174.36 2c3w s LEU 91 N 0.80 4.05 -0.04 4.42 2.96 0.26 -1.45 118.68 129.68 2c3w s LEU 91 Ca -0.10 0.11 -0.01 0.00 -0.22 0.00 0.00 54.13 53.91 2c3w s LEU 91 Cb -0.16 -2.26 0.03 0.00 0.50 0.00 0.00 46.19 44.30 2c3w s LEU 91 CO 0.01 -0.12 0.04 0.00 -1.32 0.00 0.00 176.35 174.96 2c3w s ALA 92 N 1.90 0.25 -1.42 5.97 0.00 -0.65 -1.20 121.76 126.61 2c3w s ALA 92 Ca 0.11 0.19 -0.06 0.00 0.00 0.00 0.00 51.96 52.20 2c3w s ALA 92 Cb -0.16 -0.53 0.04 0.00 0.00 0.00 0.00 23.12 22.46 2c3w s ALA 92 CO 0.11 -0.38 0.74 -0.25 0.00 0.00 0.00 175.76 175.98 2c3w n ASP 93 N 4.98 -2.29 0.00 0.00 8.00 -1.26 -1.46 116.55 124.52 2c3w n ASP 93 Ca -0.10 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.54 2c3w n ASP 93 Cb 0.50 -3.73 0.00 0.00 -0.02 0.00 0.00 41.12 37.87 2c3w n ASP 93 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2c3w n GLY 94 N -1.68 0.69 3.26 0.44 0.00 -1.26 -5.03 105.19 101.61 2c3w n GLY 94 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 2c3w n GLY 94 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2c3w s ARG 95 N -0.04 2.42 -0.15 1.61 0.52 -0.54 -5.06 118.95 117.72 2c3w s ARG 95 Ca 0.00 -0.87 -0.04 0.00 -0.52 0.00 0.00 55.73 54.30 2c3w s ARG 95 Cb 0.00 -2.08 -0.03 0.00 0.52 0.00 0.00 34.95 33.36 2c3w s ARG 95 CO 0.00 0.38 -0.02 0.42 0.02 0.00 0.00 175.30 176.10 2c3w s ILE 96 N -0.19 4.03 0.12 1.52 1.01 -1.26 -1.63 121.20 124.80 2c3w s ILE 96 Ca -0.02 -0.32 0.06 0.00 0.00 0.00 0.00 60.65 60.38 2c3w s ILE 96 Cb -0.13 -2.76 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 2c3w s ILE 96 CO 0.03 0.51 -0.15 -0.76 0.00 0.00 0.00 174.94 174.56 2c3w s LEU 97 N 0.18 2.40 0.74 2.97 1.43 -0.53 -4.98 118.68 120.89 2c3w s LEU 97 Ca -0.01 -0.80 -0.15 0.00 -1.03 0.00 0.00 54.13 52.15 2c3w s LEU 97 Cb -0.14 -0.61 0.05 0.00 0.03 0.00 0.00 46.19 45.52 2c3w s LEU 97 CO 0.02 -0.11 1.21 -0.44 0.23 0.00 0.00 176.35 177.26 2c3w s SER 98 N -2.41 4.09 0.12 2.29 0.01 -1.26 -0.66 113.70 115.87 2c3w s SER 98 Ca 0.09 2.35 0.00 0.00 1.31 0.00 0.00 55.95 59.70 2c3w s SER 98 Cb -0.06 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.59 2c3w s SER 98 CO 0.04 -2.33 0.00 0.61 0.41 0.00 0.00 173.24 171.97 2c3w n GLY 99 N 0.38 -0.79 3.98 3.44 0.00 -0.14 -4.67 105.19 107.39 2c3w n GLY 99 Ca 0.13 -1.17 -0.18 0.00 0.00 0.00 0.00 46.02 44.80 2c3w n GLY 99 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2c3w s THR 100 N 0.00 3.26 0.23 2.61 -4.23 -1.26 -2.65 115.64 113.60 2c3w s THR 100 Ca 0.00 -1.06 -0.31 0.00 -1.18 0.00 0.00 61.69 59.14 2c3w s THR 100 Cb 0.00 -3.11 -0.14 0.00 1.34 0.00 0.00 72.50 70.58 2c3w s THR 100 CO 0.00 -0.05 1.29 -2.65 -0.54 0.00 0.00 174.62 172.67 2c3w n PRO 101 N -1.73 1.72 0.00 3.99 -0.02 -1.26 -4.91 135.00 132.78 2c3w n PRO 101 Ca 0.05 0.61 0.14 0.00 -2.02 0.00 0.00 63.50 62.28 2c3w n PRO 101 Cb 0.59 -2.19 0.52 0.00 -0.02 0.00 0.00 33.50 32.40 2c3w n PRO 101 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11