#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c3w n ALA 9 N 0.00 0.58 -0.49 2.24 0.00 -1.26 -4.90 120.51 116.67 2c3w n ALA 9 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2c3w n ALA 9 Cb 0.00 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.27 2c3w n ALA 9 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2c3w n THR 10 N -1.36 0.00 -1.47 0.00 -2.24 -1.26 -3.94 114.28 104.01 2c3w n THR 10 Ca 0.12 0.01 -0.34 0.00 -2.27 0.00 0.00 64.05 61.58 2c3w n THR 10 Cb 0.45 -0.78 0.08 0.00 -2.10 0.00 0.00 70.33 67.99 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 -2.06 4.39 -0.43 3.42 -0.00 -1.19 -4.35 116.67 116.45 2c3w s ASP 11 Ca 0.00 2.21 -0.14 0.00 -0.00 0.00 0.00 52.55 54.63 2c3w s ASP 11 Cb 0.00 -2.57 0.05 0.00 -0.00 0.00 0.00 42.92 40.40 2c3w s ASP 11 CO 0.00 -2.12 0.32 -0.63 -0.00 0.00 0.00 175.17 172.74 2c3w s ILE 12 N -2.18 4.99 -0.15 0.77 1.01 -0.32 -1.37 121.20 123.95 2c3w s ILE 12 Ca 0.71 -0.96 -0.04 0.00 0.00 0.00 0.00 60.65 60.35 2c3w s ILE 12 Cb -0.26 -3.90 -0.03 0.00 0.01 0.00 0.00 42.46 38.28 2c3w s ILE 12 CO 0.45 -0.44 -0.01 -0.89 0.00 0.00 0.00 174.94 174.06 2c3w s THR 13 N 1.61 4.16 -0.08 2.92 2.01 -0.33 -0.17 115.64 125.77 2c3w s THR 13 Ca 0.04 -0.27 0.01 0.00 0.31 0.00 0.00 61.69 61.78 2c3w s THR 13 Cb -0.22 -2.83 0.02 0.00 0.01 0.00 0.00 72.50 69.49 2c3w s THR 13 CO 0.07 0.50 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.79 2c3w s ILE 14 N 0.19 0.95 -0.05 1.82 1.01 -0.37 -1.56 121.20 123.18 2c3w s ILE 14 Ca -0.00 -0.30 -0.10 0.00 0.00 0.00 0.00 60.65 60.25 2c3w s ILE 14 Cb -0.13 -0.93 -0.05 0.00 0.01 0.00 0.00 42.46 41.36 2c3w s ILE 14 CO 0.02 0.33 0.26 -0.31 0.00 0.00 0.00 174.94 175.25 2c3w s TYR 15 N 1.22 3.64 -0.07 3.97 2.02 -0.00 -1.94 117.35 126.18 2c3w s TYR 15 Ca -0.05 0.71 -0.00 0.00 -0.37 0.00 0.00 57.07 57.36 2c3w s TYR 15 Cb -0.14 -2.08 0.02 0.00 -0.40 0.00 0.00 41.96 39.37 2c3w s TYR 15 CO -0.02 0.68 -0.03 -0.47 -1.57 0.00 0.00 175.55 174.13 2c3w s TYR 16 N -1.11 0.85 -0.31 2.71 5.04 0.54 -0.94 117.35 124.13 2c3w s TYR 16 Ca 0.21 -0.28 -0.26 0.00 -2.44 0.00 0.00 57.07 54.30 2c3w s TYR 16 Cb -0.14 -0.82 0.01 0.00 0.35 0.00 0.00 41.96 41.35 2c3w s TYR 16 CO 0.10 -0.30 0.90 0.21 -1.34 0.00 0.00 175.55 175.11 2c3w s LYS 17 N 1.50 4.00 -0.07 4.97 2.20 -0.51 -0.83 119.74 131.00 2c3w s LYS 17 Ca -0.02 0.76 -0.31 0.00 -0.36 0.00 0.00 55.97 56.05 2c3w s LYS 17 Cb -0.13 -3.73 0.08 0.00 -1.51 0.00 0.00 37.83 32.53 2c3w s LYS 17 CO -0.03 -0.77 0.72 -0.08 -0.36 0.00 0.00 175.35 174.83 2c3w s THR 18 N 3.22 0.00 -1.93 3.43 -1.32 -0.70 -4.76 115.64 113.57 2c3w s THR 18 Ca 0.37 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 61.08 2c3w s THR 18 Cb -0.13 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 69.89 2c3w s THR 18 CO 0.14 0.00 1.18 0.61 -2.21 0.00 0.00 174.62 174.33 2c3w n GLY 19 N 0.92 -0.15 3.61 6.08 0.00 -1.26 -4.52 105.19 109.88 2c3w n GLY 19 Ca -0.18 -0.59 -0.46 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.23 1.57 0.15 1.61 8.01 -1.26 -4.89 117.44 122.41 2c3w n TRP 20 Ca 0.10 0.62 0.04 0.00 -1.31 0.00 0.00 57.50 56.94 2c3w n TRP 20 Cb 0.44 -2.32 0.08 0.00 -2.01 0.00 0.00 31.31 27.49 2c3w n TRP 20 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.69 178.47 2c3w h THR 21 N 2.52 0.76 -2.04 -0.99 1.35 -1.94 -3.36 112.91 109.20 2c3w h THR 21 Ca -0.43 -2.00 -0.54 0.00 -0.55 0.00 0.00 66.41 62.89 2c3w h THR 21 Cb 1.32 2.32 -0.41 0.00 -1.73 0.00 0.00 68.15 69.65 2c3w h THR 21 CO 0.68 0.42 -0.86 1.41 -0.25 0.00 0.00 175.52 176.92 2c3w n HIS 22 N -3.23 2.61 -2.15 4.73 8.25 -1.26 -5.10 115.22 119.07 2c3w n HIS 22 Ca 0.02 -3.78 -0.40 0.00 -0.26 0.00 0.00 57.72 53.30 2c3w n HIS 22 Cb 0.69 -0.42 -0.01 0.00 1.12 0.00 0.00 29.99 31.36 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 -3.14 4.13 0.12 -0.41 0.04 -1.26 -3.20 135.00 131.28 2c3w s PRO 23 Ca 0.45 2.08 0.07 0.00 0.04 0.00 0.00 61.00 63.64 2c3w s PRO 23 Cb 0.32 -2.85 -0.04 0.00 0.04 0.00 0.00 34.50 31.98 2c3w s PRO 23 CO -0.12 -0.33 -0.16 -1.01 0.04 0.00 0.00 177.00 175.43 2c3w s HIS 24 N -1.25 1.51 -0.19 0.56 3.76 0.77 -1.54 115.29 118.91 2c3w s HIS 24 Ca 0.54 -0.50 -0.02 0.00 -0.15 0.00 0.00 55.06 54.93 2c3w s HIS 24 Cb -0.37 -0.80 -0.01 0.00 1.11 0.00 0.00 32.58 32.52 2c3w s HIS 24 CO 0.47 0.17 -0.08 -1.50 -0.85 0.00 0.00 174.74 172.95 2c3w s ILE 25 N -1.79 3.14 -0.20 0.60 2.07 0.44 -1.28 121.20 124.19 2c3w s ILE 25 Ca 0.08 -0.58 -0.04 0.00 -1.41 0.00 0.00 60.65 58.69 2c3w s ILE 25 Cb -0.07 -2.39 -0.02 0.00 0.13 0.00 0.00 42.46 40.11 2c3w s ILE 25 CO 0.04 0.46 -0.04 -2.28 -1.91 0.00 0.00 174.94 171.21 2c3w s HIS 26 N 1.17 2.97 0.16 3.50 5.65 0.00 -0.96 115.29 127.78 2c3w s HIS 26 Ca 0.02 -0.69 -0.12 0.00 0.25 0.00 0.00 55.06 54.51 2c3w s HIS 26 Cb -0.14 -2.05 0.01 0.00 -1.18 0.00 0.00 32.58 29.21 2c3w s HIS 26 CO -0.02 -0.36 0.36 1.52 -0.65 0.00 0.00 174.74 175.58 2c3w s TYR 27 N 1.09 0.12 -0.16 3.88 -0.85 -1.26 -0.91 117.35 119.26 2c3w s TYR 27 Ca 0.01 -0.48 0.01 0.00 -0.52 0.00 0.00 57.07 56.09 2c3w s TYR 27 Cb -0.15 0.12 0.02 0.00 0.38 0.00 0.00 41.96 42.33 2c3w s TYR 27 CO 0.00 -0.75 -0.20 0.45 -1.52 0.00 0.00 175.55 173.54 2c3w s SER 28 N -2.90 3.04 -0.18 -0.18 0.15 -0.31 -0.81 113.70 112.51 2c3w s SER 28 Ca 0.11 -0.61 -0.16 0.00 0.70 0.00 0.00 55.95 55.99 2c3w s SER 28 Cb 0.02 -1.42 -0.04 0.00 -1.71 0.00 0.00 66.02 62.87 2c3w s SER 28 CO -0.04 0.02 0.40 -0.22 1.20 0.00 0.00 173.24 174.59 2c3w s LEU 29 N 1.17 4.19 -1.49 3.45 2.96 -1.26 -1.56 118.68 126.14 2c3w s LEU 29 Ca 0.01 0.57 -0.08 0.00 -0.22 0.00 0.00 54.13 54.41 2c3w s LEU 29 Cb -0.14 -2.53 0.06 0.00 0.50 0.00 0.00 46.19 44.09 2c3w s LEU 29 CO -0.09 -0.03 0.70 0.59 -1.32 0.00 0.00 176.35 176.19 2c3w n ASN 30 N 4.17 -2.32 -1.43 3.68 3.02 0.85 -0.78 115.26 122.44 2c3w n ASN 30 Ca -0.09 -0.92 -0.18 0.00 -0.03 0.00 0.00 54.58 53.36 2c3w n ASN 30 Cb 0.51 -3.38 -0.08 0.00 -0.61 0.00 0.00 39.78 36.23 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 -4.45 -1.51 0.00 3.52 6.02 -1.26 -4.98 117.38 114.72 2c3w n GLN 31 Ca -0.13 1.14 0.00 0.00 -0.01 0.00 0.00 57.00 58.00 2c3w n GLN 31 Cb 0.60 -5.53 0.00 0.00 1.02 0.00 0.00 30.24 26.33 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 -0.24 0.21 3.77 1.08 0.00 0.04 -5.00 105.19 105.04 2c3w n GLY 32 Ca -0.18 -1.70 -0.40 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 s ALA 33 N -3.57 3.20 0.46 4.61 0.00 -1.26 -4.58 121.76 120.62 2c3w s ALA 33 Ca 0.00 1.38 -0.23 0.00 0.00 0.00 0.00 51.96 53.11 2c3w s ALA 33 Cb 0.00 -3.55 -0.07 0.00 0.00 0.00 0.00 23.12 19.49 2c3w s ALA 33 CO 0.00 -1.10 1.17 -1.58 0.00 0.00 0.00 175.76 174.26 2c3w s TRP 34 N -1.24 2.87 0.74 0.00 0.52 -1.26 -4.22 118.94 116.35 2c3w s TRP 34 Ca 0.61 1.53 -0.15 0.00 0.02 0.00 0.00 56.10 58.10 2c3w s TRP 34 Cb -0.41 -3.40 0.02 0.00 -1.15 0.00 0.00 33.47 28.53 2c3w s TRP 34 CO 0.53 -1.55 1.03 0.25 0.02 0.00 0.00 176.95 177.23 2c3w n THR 35 N -0.47 2.78 -1.76 2.01 -2.24 0.01 -4.97 114.28 109.64 2c3w n THR 35 Ca 0.07 -0.34 -0.42 0.00 -2.27 0.00 0.00 64.05 61.09 2c3w n THR 35 Cb 0.48 -1.14 -0.03 0.00 -2.10 0.00 0.00 70.33 67.53 2c3w n THR 35 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2c3w s THR 36 N -1.85 2.29 0.57 4.28 2.01 -1.26 -4.81 115.64 116.86 2c3w s THR 36 Ca 0.74 0.10 -0.21 0.00 0.31 0.00 0.00 61.69 62.63 2c3w s THR 36 Cb -0.33 -3.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 2c3w s THR 36 CO 0.50 0.00 1.33 0.18 -0.69 0.00 0.00 174.62 175.94 2c3w n LEU 37 N 4.56 5.59 -0.35 4.42 4.77 -1.26 -0.32 117.00 134.41 2c3w n LEU 37 Ca 0.16 0.94 0.06 0.00 -0.03 0.00 0.00 56.01 57.14 2c3w n LEU 37 Cb 0.37 -1.57 0.22 0.00 -2.33 0.00 0.00 43.42 40.11 2c3w n LEU 37 CO 0.64 -0.72 0.66 -0.81 -1.33 0.00 0.00 177.39 175.83 2c3w n PRO 38 N -1.22 1.44 0.00 3.23 -0.04 -1.26 -5.09 135.00 132.07 2c3w n PRO 38 Ca 0.12 -0.68 0.00 0.00 -0.04 0.00 0.00 63.50 62.90 2c3w n PRO 38 Cb 0.45 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 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 0.88 -0.81 3.68 0.55 0.00 0.57 -4.30 105.19 105.76 2c3w n GLY 39 Ca 0.10 -2.00 -0.35 0.00 0.00 0.00 0.00 46.02 43.77 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 5.21 0.34 1.61 1.01 -0.13 -4.81 120.40 123.63 2c3w s VAL 40 Ca 0.00 0.12 -0.29 0.00 0.00 0.00 0.00 61.98 61.82 2c3w s VAL 40 Cb 0.00 -3.39 -0.10 0.00 0.00 0.00 0.00 36.38 32.89 2c3w s VAL 40 CO 0.00 0.42 1.32 -2.16 0.00 0.00 0.00 175.10 174.67 2c3w s PRO 41 N 0.57 4.33 0.35 2.72 0.04 -1.26 -0.42 135.00 141.33 2c3w s PRO 41 Ca 0.07 2.23 -0.16 0.00 0.04 0.00 0.00 61.00 63.18 2c3w s PRO 41 Cb -0.12 -3.06 -0.09 0.00 0.04 0.00 0.00 34.50 31.27 2c3w s PRO 41 CO 0.00 -0.21 0.78 -0.51 0.04 0.00 0.00 177.00 177.10 2c3w s LEU 42 N -1.83 4.03 0.36 -3.56 1.02 -0.59 -4.85 118.68 113.28 2c3w s LEU 42 Ca 0.49 1.37 0.07 0.00 0.02 0.00 0.00 54.13 56.08 2c3w s LEU 42 Cb -0.40 -4.18 -0.01 0.00 0.02 0.00 0.00 46.19 41.62 2c3w s LEU 42 CO 0.53 -0.24 0.43 0.42 0.02 0.00 0.00 176.35 177.51 2c3w s THR 43 N -2.03 3.53 0.18 5.49 -4.23 0.24 -4.75 115.64 114.07 2c3w s THR 43 Ca 0.56 -1.14 -0.32 0.00 -1.18 0.00 0.00 61.69 59.61 2c3w s THR 43 Cb -0.10 -3.21 -0.16 0.00 1.34 0.00 0.00 72.50 70.37 2c3w s THR 43 CO 0.16 -0.11 1.14 1.17 -0.54 0.00 0.00 174.62 176.45 2c3w n LYS 44 N -1.60 1.17 -3.47 3.99 4.81 -1.26 -0.76 118.16 121.05 2c3w n LYS 44 Ca 0.02 0.42 -0.20 0.00 -0.87 0.00 0.00 58.31 57.67 2c3w n LYS 44 Cb 0.59 -1.90 -0.02 0.00 0.02 0.00 0.00 35.03 33.72 2c3w n LYS 44 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2c3w s SER 45 N -0.06 5.15 0.00 3.14 1.04 -1.19 -4.55 113.70 117.24 2c3w s SER 45 Ca 0.72 -0.69 0.20 0.00 0.48 0.00 0.00 55.95 56.65 2c3w s SER 45 Cb -0.84 -0.57 1.13 0.00 0.10 0.00 0.00 66.02 65.84 2c3w s SER 45 CO 0.53 -0.68 1.61 -1.84 0.98 0.00 0.00 173.24 173.83 2c3w n GLU 46 N -1.61 0.50 -4.83 4.02 0.00 -1.26 -4.68 120.64 112.78 2c3w n GLU 46 Ca 0.04 0.04 -0.32 0.00 0.00 0.00 0.00 57.16 56.93 2c3w n GLU 46 Cb 0.61 -1.50 -0.17 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 -2.22 2.50 0.33 -1.84 2.02 -1.26 -5.11 117.35 111.77 2c3w s TYR 47 Ca 0.26 -1.16 -0.29 0.00 -0.37 0.00 0.00 57.07 55.51 2c3w s TYR 47 Cb 0.14 -1.70 -0.11 0.00 -0.40 0.00 0.00 41.96 39.88 2c3w s TYR 47 CO 0.26 -0.52 1.51 -2.00 -1.57 0.00 0.00 175.55 173.24 2c3w s GLU 48 N 0.67 4.14 0.00 -0.62 2.56 -1.26 -2.19 118.70 122.00 2c3w s GLU 48 Ca -0.11 2.54 0.00 0.00 0.00 0.00 0.00 54.97 57.39 2c3w s GLU 48 Cb -0.16 -3.00 0.00 0.00 2.00 0.00 0.00 34.13 32.96 2c3w s GLU 48 CO 0.02 -0.54 0.00 0.41 -0.56 0.00 0.00 175.26 174.59 2c3w n GLY 49 N 1.23 1.31 3.25 -1.50 0.00 -1.26 -5.04 105.19 103.18 2c3w n GLY 49 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 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 2.00 0.41 1.61 1.51 -0.93 -1.73 117.35 117.19 2c3w s TYR 50 Ca 0.00 -0.38 0.08 0.00 -1.01 0.00 0.00 57.07 55.76 2c3w s TYR 50 Cb 0.00 -1.27 -0.03 0.00 -0.11 0.00 0.00 41.96 40.55 2c3w s TYR 50 CO 0.00 -0.01 0.31 0.14 -1.11 0.00 0.00 175.55 174.88 2c3w s VAL 51 N -0.56 2.55 0.19 0.71 -7.23 -0.01 -3.14 120.40 112.91 2c3w s VAL 51 Ca 0.09 -1.46 -0.09 0.00 -1.81 0.00 0.00 61.98 58.70 2c3w s VAL 51 Cb -0.09 -3.00 -0.01 0.00 0.56 0.00 0.00 36.38 33.84 2c3w s VAL 51 CO -0.00 -0.00 0.33 -1.59 -0.31 0.00 0.00 175.10 173.52 2c3w s LYS 52 N -4.05 1.28 -0.09 4.82 -2.85 0.07 -0.34 119.74 118.58 2c3w s LYS 52 Ca 0.46 -1.24 -0.22 0.00 -1.00 0.00 0.00 55.97 53.96 2c3w s LYS 52 Cb -0.01 0.40 0.05 0.00 -2.06 0.00 0.00 37.83 36.21 2c3w s LYS 52 CO 0.26 -0.49 0.52 0.54 0.10 0.00 0.00 175.35 176.29 2c3w s VAL 53 N -4.00 0.02 -0.19 1.79 0.11 -0.82 -0.59 120.40 116.71 2c3w s VAL 53 Ca 0.21 -0.14 0.00 0.00 -2.93 0.00 0.00 61.98 59.12 2c3w s VAL 53 Cb 0.02 -0.81 0.02 0.00 -1.53 0.00 0.00 36.38 34.09 2c3w s VAL 53 CO 0.04 -0.08 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.68 2c3w s THR 54 N -0.75 2.34 -0.32 5.04 2.01 -1.26 -1.24 115.64 121.45 2c3w s THR 54 Ca -0.08 -0.89 -0.14 0.00 0.31 0.00 0.00 61.69 60.89 2c3w s THR 54 Cb -0.03 -2.02 -0.02 0.00 0.01 0.00 0.00 72.50 70.44 2c3w s THR 54 CO 0.05 0.48 0.31 -0.63 -0.69 0.00 0.00 174.62 174.14 2c3w s ILE 55 N 1.32 5.22 0.12 1.82 -1.09 0.76 -4.97 121.20 124.38 2c3w s ILE 55 Ca 0.04 0.05 -0.33 0.00 -2.23 0.00 0.00 60.65 58.18 2c3w s ILE 55 Cb -0.14 -3.74 -0.13 0.00 -1.58 0.00 0.00 42.46 36.88 2c3w s ILE 55 CO -0.11 0.00 1.71 1.21 -1.23 0.00 0.00 174.94 176.53 2c3w n GLU 56 N 5.26 2.40 -3.45 2.79 2.13 -1.26 -1.18 120.64 127.33 2c3w n GLU 56 Ca -0.11 0.87 -0.13 0.00 0.66 0.00 0.00 57.16 58.45 2c3w n GLU 56 Cb 0.50 -2.69 -0.03 0.00 0.27 0.00 0.00 31.44 29.49 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 1.88 -1.66 0.64 4.31 0.00 -1.26 -4.88 121.76 120.79 2c3w s ALA 57 Ca 0.81 0.74 -0.06 0.00 0.00 0.00 0.00 51.96 53.44 2c3w s ALA 57 Cb -0.61 0.63 0.03 0.00 0.00 0.00 0.00 23.12 23.17 2c3w s ALA 57 CO 0.39 -0.66 0.96 -1.21 0.00 0.00 0.00 175.76 175.24 2c3w s GLU 58 N -3.04 2.60 0.27 0.00 2.02 -1.26 -3.18 118.70 116.10 2c3w s GLU 58 Ca -0.02 -0.10 -0.29 0.00 0.02 0.00 0.00 54.97 54.58 2c3w s GLU 58 Cb -0.01 -2.22 -0.14 0.00 0.10 0.00 0.00 34.13 31.86 2c3w s GLU 58 CO -0.07 -0.95 1.07 -1.91 0.02 0.00 0.00 175.26 173.42 2c3w n GLU 59 N -2.74 1.39 -1.54 1.61 2.13 -1.26 -2.59 120.64 117.64 2c3w n GLU 59 Ca 0.06 0.49 -0.04 0.00 0.66 0.00 0.00 57.16 58.33 2c3w n GLU 59 Cb 0.59 -1.90 -0.01 0.00 0.27 0.00 0.00 31.44 30.38 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 1.39 0.47 3.91 8.31 0.00 -1.25 -5.02 105.19 112.99 2c3w n GLY 60 Ca 0.10 -0.83 -0.28 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.90 6.02 0.00 1.61 0.01 -1.07 -4.92 113.70 112.45 2c3w s SER 61 Ca 0.00 0.92 -0.06 0.00 1.31 0.00 0.00 55.95 58.12 2c3w s SER 61 Cb 0.00 -2.09 -0.00 0.00 0.21 0.00 0.00 66.02 64.14 2c3w s SER 61 CO 0.00 -0.79 0.10 -1.58 0.41 0.00 0.00 173.24 171.38 2c3w s GLN 62 N -4.89 0.42 0.10 12.44 2.00 -1.26 -1.33 119.66 127.14 2c3w s GLN 62 Ca 0.51 -0.39 0.04 0.00 -2.00 0.00 0.00 55.36 53.51 2c3w s GLN 62 Cb -0.10 0.17 -0.04 0.00 0.80 0.00 0.00 33.01 33.84 2c3w s GLN 62 CO 0.46 -0.09 -0.10 -0.48 -0.50 0.00 0.00 175.29 174.58 2c3w s LEU 63 N -1.27 2.41 -0.12 3.68 0.05 0.63 -0.11 118.68 123.95 2c3w s LEU 63 Ca -0.14 -0.82 -0.01 0.00 0.05 0.00 0.00 54.13 53.22 2c3w s LEU 63 Cb -0.07 -0.29 -0.02 0.00 -2.05 0.00 0.00 46.19 43.75 2c3w s LEU 63 CO 0.01 -0.27 -0.07 -0.13 -0.55 0.00 0.00 176.35 175.33 2c3w s ARG 64 N -2.82 3.26 -0.01 1.48 0.52 -0.60 -1.21 118.95 119.57 2c3w s ARG 64 Ca 0.05 -0.58 -0.04 0.00 -0.52 0.00 0.00 55.73 54.65 2c3w s ARG 64 Cb -0.03 -2.72 -0.00 0.00 0.52 0.00 0.00 34.95 32.72 2c3w s ARG 64 CO -0.00 0.39 0.07 0.00 0.02 0.00 0.00 175.30 175.77 2c3w s ALA 65 N -0.06 -0.16 -0.01 2.13 0.00 -0.04 -1.16 121.76 122.46 2c3w s ALA 65 Ca 0.00 -0.10 0.04 0.00 0.00 0.00 0.00 51.96 51.90 2c3w s ALA 65 Cb -0.13 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 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 -0.81 1.01 0.10 0.00 0.00 -0.08 -0.14 121.76 121.84 2c3w s ALA 66 Ca -0.09 -0.53 0.04 0.00 0.00 0.00 0.00 51.96 51.38 2c3w s ALA 66 Cb -0.05 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 2c3w s ALA 66 CO 0.00 0.25 0.08 -0.06 0.00 0.00 0.00 175.76 176.03 2c3w s PHE 67 N -0.29 3.15 0.18 0.00 0.08 -0.39 -0.82 117.98 119.89 2c3w s PHE 67 Ca 0.05 0.04 -0.10 0.00 0.12 0.00 0.00 56.93 57.04 2c3w s PHE 67 Cb -0.05 -1.58 -0.01 0.00 -0.57 0.00 0.00 43.02 40.81 2c3w s PHE 67 CO -0.00 0.52 0.32 0.54 -0.10 0.00 0.00 175.22 176.49 2c3w s ASN 68 N -2.53 0.00 -0.03 1.36 4.22 -0.40 0.12 114.94 117.68 2c3w s ASN 68 Ca 0.29 -0.88 0.09 0.00 -2.14 0.00 0.00 52.86 50.22 2c3w s ASN 68 Cb -0.12 0.47 0.32 0.00 1.28 0.00 0.00 41.25 43.20 2c3w s ASN 68 CO 0.22 -0.94 1.19 -0.46 -2.04 0.00 0.00 177.10 175.06 2c3w n ASN 69 N -0.25 2.18 0.00 3.54 2.04 0.08 -0.16 115.26 122.68 2c3w n ASN 69 Ca -0.06 -2.12 0.00 0.00 -0.44 0.00 0.00 54.58 51.96 2c3w n ASN 69 Cb 0.63 -0.33 0.00 0.00 -2.53 0.00 0.00 39.78 37.55 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 0.80 1.73 1.98 4.83 0.00 -1.19 -4.40 105.19 108.94 2c3w n GLY 70 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 1.62 0.00 1.61 7.64 -1.26 -4.97 113.62 118.26 2c3w n SER 71 Ca 0.00 -2.33 0.00 0.00 1.01 0.00 0.00 58.87 57.55 2c3w n SER 71 Cb 0.00 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 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 -0.18 0.76 3.71 0.23 0.00 -1.26 -5.04 105.19 103.40 2c3w n GLY 72 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.21 4.15 0.22 1.61 -1.52 -1.26 -4.99 119.66 117.65 2c3w s GLN 73 Ca 0.00 -0.24 0.11 0.00 -1.95 0.00 0.00 55.36 53.28 2c3w s GLN 73 Cb 0.00 -3.45 -0.05 0.00 -0.22 0.00 0.00 33.01 29.30 2c3w s GLN 73 CO 0.00 0.23 -0.23 -1.58 -0.25 0.00 0.00 175.29 173.46 2c3w s TRP 74 N 0.56 2.27 -0.31 0.91 0.52 -1.26 -0.75 118.94 120.88 2c3w s TRP 74 Ca 0.08 -0.36 0.01 0.00 0.02 0.00 0.00 56.10 55.85 2c3w s TRP 74 Cb -0.12 -1.09 0.10 0.00 -1.15 0.00 0.00 33.47 31.21 2c3w s TRP 74 CO -0.00 0.55 0.07 0.34 0.02 0.00 0.00 176.95 177.93 2c3w s ASP 75 N -2.90 4.21 -0.10 2.95 2.15 0.12 -4.96 116.67 118.13 2c3w s ASP 75 Ca 0.23 -1.73 0.14 0.00 0.43 0.00 0.00 52.55 51.62 2c3w s ASP 75 Cb -0.07 -1.12 0.28 0.00 -0.30 0.00 0.00 42.92 41.71 2c3w s ASP 75 CO 0.11 -0.39 1.14 -0.46 -0.17 0.00 0.00 175.17 175.40 2c3w n ASN 76 N 4.66 1.51 -3.25 -0.34 0.23 -1.26 -1.26 115.26 115.53 2c3w n ASN 76 Ca -0.01 -2.91 -0.16 0.00 -0.53 0.00 0.00 54.58 50.97 2c3w n ASN 76 Cb 0.42 -0.39 0.08 0.00 -2.08 0.00 0.00 39.78 37.82 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 -0.80 -2.17 -3.09 0.53 5.15 -1.26 -0.52 115.26 113.11 2c3w n ASN 77 Ca 0.12 -0.58 -0.23 0.00 -0.60 0.00 0.00 54.58 53.29 2c3w n ASN 77 Cb 0.73 -4.80 0.04 0.00 -0.53 0.00 0.00 39.78 35.22 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 -3.88 -5.00 -0.72 1.20 1.13 -1.26 -2.04 117.38 106.81 2c3w n GLN 78 Ca -0.26 0.87 0.00 0.00 -1.94 0.00 0.00 57.00 55.67 2c3w n GLN 78 Cb 0.66 -5.74 0.00 0.00 0.11 0.00 0.00 30.24 25.26 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 -1.53 1.23 0.05 1.08 0.00 -0.99 -4.90 105.19 100.14 2c3w n GLY 79 Ca -0.10 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.00 0.15 -1.14 1.61 5.12 -0.86 -5.08 116.66 114.45 2c3w n ARG 80 Ca 0.00 -0.11 0.15 0.00 -1.93 0.00 0.00 57.85 55.96 2c3w n ARG 80 Cb 0.00 -1.50 -0.06 0.00 -1.16 0.00 0.00 32.46 29.74 2c3w n ARG 80 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2c3w n ASP 81 N -1.33 -6.79 -4.71 0.55 8.00 0.33 -4.96 116.55 107.64 2c3w n ASP 81 Ca 0.06 0.87 -0.35 0.00 0.71 0.00 0.00 54.79 56.08 2c3w n ASP 81 Cb 0.34 -3.74 -0.09 0.00 -0.02 0.00 0.00 41.12 37.62 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 -3.15 3.20 -0.17 1.24 2.02 0.80 -4.74 117.35 116.55 2c3w s TYR 82 Ca 0.00 0.21 -0.03 0.00 -0.37 0.00 0.00 57.07 56.88 2c3w s TYR 82 Cb 0.00 -1.78 -0.02 0.00 -0.40 0.00 0.00 41.96 39.76 2c3w s TYR 82 CO 0.00 0.50 -0.05 -0.51 -1.57 0.00 0.00 175.55 173.92 2c3w s ASP 83 N -1.08 4.50 -0.01 2.29 1.01 -1.26 -0.86 116.67 121.27 2c3w s ASP 83 Ca 0.15 -0.25 0.04 0.00 0.71 0.00 0.00 52.55 53.20 2c3w s ASP 83 Cb -0.11 -1.74 -0.01 0.00 1.01 0.00 0.00 42.92 42.06 2c3w s ASP 83 CO 0.05 0.10 -0.12 -0.36 0.21 0.00 0.00 175.17 175.05 2c3w s PHE 84 N 0.76 1.07 0.39 4.23 0.08 -0.35 -4.98 117.98 119.18 2c3w s PHE 84 Ca -0.02 -0.21 0.08 0.00 0.12 0.00 0.00 56.93 56.89 2c3w s PHE 84 Cb -0.15 -0.69 -0.05 0.00 -0.57 0.00 0.00 43.02 41.57 2c3w s PHE 84 CO 0.02 -0.02 0.18 -1.54 -0.10 0.00 0.00 175.22 173.77 2c3w s SER 85 N -0.34 4.54 0.28 1.36 1.04 -1.26 -0.27 113.70 119.05 2c3w s SER 85 Ca 0.04 -0.97 -0.28 0.00 0.48 0.00 0.00 55.95 55.22 2c3w s SER 85 Cb -0.05 -0.55 -0.14 0.00 0.10 0.00 0.00 66.02 65.38 2c3w s SER 85 CO -0.00 -0.48 0.96 -1.20 0.98 0.00 0.00 173.24 173.50 2c3w n SER 86 N -1.24 1.04 0.00 7.02 7.64 -0.44 -4.66 113.62 122.98 2c3w n SER 86 Ca -0.01 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.04 2c3w n SER 86 Cb 0.63 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 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 1.32 -0.19 3.50 0.23 0.00 -0.47 -4.86 105.19 104.70 2c3w n GLY 87 Ca 0.11 -2.25 -0.34 0.00 0.00 0.00 0.00 46.02 43.54 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 3.82 0.07 1.61 1.01 -1.26 -1.18 120.40 124.47 2c3w s VAL 88 Ca 0.00 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.60 2c3w s VAL 88 Cb 0.00 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 2c3w s VAL 88 CO 0.00 0.50 -0.05 -1.00 0.00 0.00 0.00 175.10 174.55 2c3w s HIS 89 N 0.26 0.69 -0.08 5.22 4.02 -0.60 -1.02 115.29 123.79 2c3w s HIS 89 Ca -0.04 -0.87 0.04 0.00 1.02 0.00 0.00 55.06 55.22 2c3w s HIS 89 Cb -0.14 -0.43 0.00 0.00 -1.02 0.00 0.00 32.58 30.99 2c3w s HIS 89 CO 0.03 -0.21 -0.21 0.99 1.02 0.00 0.00 174.74 176.36 2c3w s THR 90 N -3.20 1.77 -0.29 1.30 2.01 0.14 -0.82 115.64 116.56 2c3w s THR 90 Ca 0.05 -0.87 -0.08 0.00 0.31 0.00 0.00 61.69 61.10 2c3w s THR 90 Cb 0.03 -1.54 -0.01 0.00 0.01 0.00 0.00 72.50 70.99 2c3w s THR 90 CO -0.05 0.50 0.10 -0.22 -0.69 0.00 0.00 174.62 174.26 2c3w s LEU 91 N 0.30 3.81 -0.05 4.42 2.96 -0.12 -0.98 118.68 129.03 2c3w s LEU 91 Ca -0.14 -0.51 0.00 0.00 -0.22 0.00 0.00 54.13 53.26 2c3w s LEU 91 Cb -0.16 -1.93 0.02 0.00 0.50 0.00 0.00 46.19 44.62 2c3w s LEU 91 CO 0.06 -0.15 -0.02 0.00 -1.32 0.00 0.00 176.35 174.92 2c3w s ALA 92 N 1.57 0.59 -1.45 5.97 0.00 -0.64 -1.42 121.76 126.39 2c3w s ALA 92 Ca 0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 51.96 51.95 2c3w s ALA 92 Cb -0.17 -0.48 0.03 0.00 0.00 0.00 0.00 23.12 22.50 2c3w s ALA 92 CO 0.04 -0.14 0.53 -0.25 0.00 0.00 0.00 175.76 175.94 2c3w n ASP 93 N 4.35 -1.10 0.00 0.00 8.00 -1.26 -1.34 116.55 125.20 2c3w n ASP 93 Ca -0.21 -0.98 0.00 0.00 0.71 0.00 0.00 54.79 54.32 2c3w n ASP 93 Cb 0.50 -3.15 0.00 0.00 -0.02 0.00 0.00 41.12 38.45 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 -1.85 0.73 3.42 0.44 0.00 -1.26 -5.00 105.19 101.67 2c3w n GLY 94 Ca -0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 2c3w n GLY 94 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2c3w s ARG 95 N -0.25 2.52 -0.17 1.61 1.70 -0.45 -5.05 118.95 118.87 2c3w s ARG 95 Ca 0.00 -0.75 -0.07 0.00 -0.47 0.00 0.00 55.73 54.44 2c3w s ARG 95 Cb 0.00 -2.32 -0.04 0.00 -0.57 0.00 0.00 34.95 32.02 2c3w s ARG 95 CO 0.00 0.56 0.07 0.42 -1.08 0.00 0.00 175.30 175.26 2c3w s ILE 96 N -0.57 4.84 0.14 4.99 1.01 -1.26 -1.61 121.20 128.74 2c3w s ILE 96 Ca 0.08 -0.02 0.06 0.00 0.00 0.00 0.00 60.65 60.77 2c3w s ILE 96 Cb -0.11 -3.16 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 2c3w s ILE 96 CO 0.01 0.49 -0.14 -0.76 0.00 0.00 0.00 174.94 174.54 2c3w s LEU 97 N 0.10 2.44 0.70 2.97 1.43 -0.16 -4.99 118.68 121.18 2c3w s LEU 97 Ca 0.05 -0.86 -0.15 0.00 -1.03 0.00 0.00 54.13 52.14 2c3w s LEU 97 Cb -0.12 -0.59 0.02 0.00 0.03 0.00 0.00 46.19 45.53 2c3w s LEU 97 CO 0.01 -0.15 1.17 -0.44 0.23 0.00 0.00 176.35 177.17 2c3w s SER 98 N -2.66 4.54 0.10 2.29 0.01 -1.26 -0.69 113.70 116.03 2c3w s SER 98 Ca 0.12 2.24 0.00 0.00 1.31 0.00 0.00 55.95 59.62 2c3w s SER 98 Cb -0.04 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.62 2c3w s SER 98 CO 0.04 -2.02 0.00 0.61 0.41 0.00 0.00 173.24 172.28 2c3w n GLY 99 N 0.10 -1.30 3.98 3.44 0.00 -0.19 -4.68 105.19 106.55 2c3w n GLY 99 Ca 0.12 -1.27 -0.21 0.00 0.00 0.00 0.00 46.02 44.66 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 2.60 0.52 2.61 -4.23 -1.26 -2.64 115.64 113.25 2c3w s THR 100 Ca 0.00 -0.68 -0.23 0.00 -1.18 0.00 0.00 61.69 59.61 2c3w s THR 100 Cb 0.00 -2.92 -0.06 0.00 1.34 0.00 0.00 72.50 70.86 2c3w s THR 100 CO 0.00 0.00 1.36 -2.65 -0.54 0.00 0.00 174.62 172.79 2c3w n PRO 101 N -2.38 1.82 0.00 3.99 -0.02 -1.26 -4.89 135.00 132.26 2c3w n PRO 101 Ca 0.09 0.66 0.14 0.00 -2.02 0.00 0.00 63.50 62.37 2c3w n PRO 101 Cb 0.60 -2.57 0.52 0.00 -0.02 0.00 0.00 33.50 32.02 2c3w n PRO 101 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11