#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cnp n ALA 2 N 0.00 0.00 -0.53 3.17 0.00 -1.26 -5.04 120.51 116.85 1cnp n ALA 2 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1cnp n ALA 2 Cb 0.00 -0.23 0.27 0.00 0.00 0.00 0.00 19.45 19.49 1cnp n ALA 2 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1cnp s SER 3 N -2.47 -0.16 0.00 0.00 0.01 -1.26 -4.46 113.70 105.36 1cnp s SER 3 Ca 0.00 1.03 0.00 0.00 1.31 0.00 0.00 55.95 58.29 1cnp s SER 3 Cb 0.00 -1.52 0.00 0.00 0.21 0.00 0.00 66.02 64.71 1cnp s SER 3 CO 0.00 -4.83 0.96 -2.65 0.41 0.00 0.00 173.24 167.13 1cnp n PRO 4 N -5.29 0.00 0.12 12.44 -0.02 -1.26 -0.09 135.00 140.90 1cnp n PRO 4 Ca 0.09 0.65 -0.14 0.00 -2.02 0.00 0.00 63.50 62.08 1cnp n PRO 4 Cb 0.58 -1.46 -0.08 0.00 -0.02 0.00 0.00 33.50 32.52 1cnp n PRO 4 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1cnp h LEU 5 N 0.00 -0.24 -0.49 2.45 3.38 -2.00 -2.50 115.31 115.91 1cnp h LEU 5 Ca 0.00 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 57.89 1cnp h LEU 5 Cb 0.00 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 1cnp h LEU 5 CO 0.00 -0.01 -0.29 -0.67 0.09 0.00 0.00 178.44 177.56 1cnp n ASP 6 N -5.13 -0.52 0.01 -0.43 2.03 -1.23 -0.42 116.55 110.85 1cnp n ASP 6 Ca -0.09 0.97 -0.11 0.00 0.52 0.00 0.00 54.79 56.07 1cnp n ASP 6 Cb 0.20 -0.16 -0.06 0.00 -0.72 0.00 0.00 41.12 40.38 1cnp n ASP 6 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 1cnp h GLN 7 N 0.00 0.10 -0.12 -0.67 4.15 -0.38 0.13 115.11 118.31 1cnp h GLN 7 Ca 0.08 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.49 1cnp h GLN 7 Cb 0.20 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 1cnp h GLN 7 CO -0.46 0.08 0.08 0.00 -1.93 0.00 0.00 178.83 176.60 1cnp h ALA 8 N 1.01 0.16 0.11 3.38 0.00 -0.74 0.16 119.26 123.33 1cnp h ALA 8 Ca 0.03 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1cnp h ALA 8 Cb 0.01 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1cnp h ALA 8 CO -0.01 -0.35 -0.39 0.82 0.00 0.00 0.00 179.25 179.33 1cnp h ILE 9 N 0.15 0.20 -0.63 0.00 2.04 -0.62 0.12 117.51 118.78 1cnp h ILE 9 Ca 0.04 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.03 1cnp h ILE 9 Cb -0.00 0.20 -0.12 0.00 -0.74 0.00 0.00 36.82 36.16 1cnp h ILE 9 CO -0.01 0.00 -0.22 1.23 0.00 0.00 0.00 178.15 179.15 1cnp h GLY 10 N -0.62 0.29 0.76 5.37 0.00 -0.38 0.72 103.07 109.21 1cnp h GLY 10 Ca 0.03 0.28 0.01 0.00 0.00 0.00 0.00 47.33 47.65 1cnp h GLY 10 CO -0.23 -0.24 -0.15 -2.00 0.00 0.00 0.00 176.54 173.91 1cnp h LEU 11 N -0.06 -0.42 -0.19 3.11 6.46 -0.24 0.23 115.31 124.20 1cnp h LEU 11 Ca 0.29 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 58.10 1cnp h LEU 11 Cb 0.51 0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.58 1cnp h LEU 11 CO -0.67 -0.23 0.12 -0.07 -0.62 0.00 0.00 178.44 176.97 1cnp h LEU 12 N -0.31 0.22 -0.66 2.25 3.38 0.17 0.84 115.31 121.19 1cnp h LEU 12 Ca 0.02 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1cnp h LEU 12 Cb 0.32 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1cnp h LEU 12 CO -0.07 0.17 -0.02 0.40 0.09 0.00 0.00 178.44 179.01 1cnp h ILE 13 N 0.25 1.26 0.10 1.22 5.03 -0.85 -0.76 117.51 123.76 1cnp h ILE 13 Ca 0.07 -1.15 0.02 0.00 -0.12 0.00 0.00 64.86 63.68 1cnp h ILE 13 Cb -0.02 0.83 -0.05 0.00 -3.03 0.00 0.00 36.82 34.56 1cnp h ILE 13 CO -0.01 0.42 -0.38 1.23 -0.68 0.00 0.00 178.15 178.72 1cnp h GLY 14 N 0.99 -0.74 0.94 5.37 0.00 0.01 0.11 103.07 109.74 1cnp h GLY 14 Ca 0.16 0.46 0.01 0.00 0.00 0.00 0.00 47.33 47.96 1cnp h GLY 14 CO 0.03 -0.26 0.16 -2.22 0.00 0.00 0.00 176.54 174.26 1cnp h ILE 15 N -0.60 1.03 -0.35 2.60 2.04 -0.72 0.13 117.51 121.63 1cnp h ILE 15 Ca 0.03 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.82 1cnp h ILE 15 Cb 0.64 0.67 -0.07 0.00 -0.74 0.00 0.00 36.82 37.32 1cnp h ILE 15 CO -0.23 0.06 -0.45 0.15 0.00 0.00 0.00 178.15 177.67 1cnp h PHE 16 N 0.34 -1.39 0.17 1.37 3.57 -0.89 -3.31 116.94 116.80 1cnp h PHE 16 Ca 0.11 0.07 -0.30 0.00 3.53 0.00 0.00 57.97 61.37 1cnp h PHE 16 Cb -0.00 0.65 0.01 0.00 2.79 0.00 0.00 35.95 39.40 1cnp h PHE 16 CO -0.08 -0.39 -1.39 1.25 -2.23 0.00 0.00 178.31 175.47 1cnp h HIS 17 N -0.31 0.65 -0.58 0.41 2.76 -0.35 -3.36 115.15 114.37 1cnp h HIS 17 Ca 0.06 -0.48 0.09 0.00 -2.20 0.00 0.00 60.37 57.84 1cnp h HIS 17 Cb 0.48 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.37 1cnp h HIS 17 CO -0.72 1.41 0.39 -0.22 -1.30 0.00 0.00 177.93 177.49 1cnp h LYS 18 N 0.10 0.42 0.00 5.26 3.11 -0.85 0.15 116.57 124.77 1cnp h LYS 18 Ca -0.20 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.61 1cnp h LYS 18 Cb 2.05 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 33.18 1cnp h LYS 18 CO 0.22 0.28 0.00 0.66 -2.81 0.00 0.00 179.45 177.80 1cnp n TYR 19 N -4.47 0.00 0.30 1.91 4.02 -1.26 -1.06 117.16 116.60 1cnp n TYR 19 Ca 0.09 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 58.03 1cnp n TYR 19 Cb 0.33 -0.21 0.21 0.00 -0.02 0.00 0.00 39.34 39.65 1cnp n TYR 19 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1cnp n SER 20 N -1.21 0.05 0.00 7.72 7.64 0.54 -4.81 113.62 123.55 1cnp n SER 20 Ca 0.05 0.52 0.00 0.00 1.01 0.00 0.00 58.87 60.45 1cnp n SER 20 Cb 0.06 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 1cnp n SER 20 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cnp n GLY 21 N -0.60 2.01 3.31 0.23 0.00 -0.22 -4.57 105.19 105.35 1cnp n GLY 21 Ca 0.02 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 1cnp n GLY 21 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1cnp s LYS 22 N 0.00 2.59 0.00 1.61 2.20 -1.26 -5.04 119.74 119.84 1cnp s LYS 22 Ca 0.00 -0.86 0.00 0.00 -0.36 0.00 0.00 55.97 54.75 1cnp s LYS 22 Cb 0.00 -2.23 0.00 0.00 -1.51 0.00 0.00 37.83 34.09 1cnp s LYS 22 CO 0.00 0.42 0.00 0.39 -0.36 0.00 0.00 175.35 175.80 1cnp n GLU 23 N 2.86 1.48 0.00 4.03 4.71 -1.26 -4.62 120.64 127.84 1cnp n GLU 23 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.98 1cnp n GLU 23 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.95 1cnp n GLU 23 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1cnp n GLY 24 N 5.00 1.51 0.00 0.62 0.00 -1.26 -4.67 105.19 106.39 1cnp n GLY 24 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1cnp n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cnp n ASP 25 N 3.17 0.00 -4.58 1.61 5.68 -1.26 -4.71 116.55 116.45 1cnp n ASP 25 Ca 0.00 0.12 -0.42 0.00 -0.50 0.00 0.00 54.79 53.99 1cnp n ASP 25 Cb 0.00 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 39.95 1cnp n ASP 25 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 1cnp s LYS 26 N -0.24 3.26 0.04 0.11 -2.85 -1.26 -4.85 119.74 113.95 1cnp s LYS 26 Ca 0.00 0.87 -0.14 0.00 -1.00 0.00 0.00 55.97 55.70 1cnp s LYS 26 Cb 0.00 -4.17 -0.35 0.00 -2.06 0.00 0.00 37.83 31.26 1cnp s LYS 26 CO 0.00 -1.97 1.02 0.45 0.10 0.00 0.00 175.35 174.95 1cnp h HIS 27 N 12.17 0.91 -3.44 1.78 3.86 -1.98 -3.45 115.15 125.01 1cnp h HIS 27 Ca -0.29 -0.67 -0.35 0.00 -1.16 0.00 0.00 60.37 57.91 1cnp h HIS 27 Cb 1.13 -0.04 0.15 0.00 1.06 0.00 0.00 27.41 29.71 1cnp h HIS 27 CO 1.00 1.53 0.31 0.25 0.86 0.00 0.00 177.93 181.87 1cnp n THR 28 N -3.69 0.00 -3.93 2.45 -2.24 -1.26 -4.82 114.28 100.79 1cnp n THR 28 Ca -0.16 -0.75 -0.16 0.00 -2.27 0.00 0.00 64.05 60.72 1cnp n THR 28 Cb 1.10 -1.54 -0.16 0.00 -2.10 0.00 0.00 70.33 67.63 1cnp n THR 28 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1cnp s LEU 29 N 0.00 1.35 -1.37 3.22 1.02 -0.07 -4.93 118.68 117.90 1cnp s LEU 29 Ca 0.61 -0.02 -0.09 0.00 0.02 0.00 0.00 54.13 54.65 1cnp s LEU 29 Cb -0.02 -0.18 -0.07 0.00 0.02 0.00 0.00 46.19 45.93 1cnp s LEU 29 CO 0.44 -0.07 2.94 -1.54 0.02 0.00 0.00 176.35 178.14 1cnp n SER 30 N 3.88 8.23 0.00 2.29 3.41 -1.26 -2.51 113.62 127.65 1cnp n SER 30 Ca -0.24 -2.67 0.00 0.00 -0.26 0.00 0.00 58.87 55.70 1cnp n SER 30 Cb 0.52 -1.50 0.00 0.00 -0.26 0.00 0.00 64.21 62.97 1cnp n SER 30 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1cnp n LYS 31 N 3.09 0.00 -0.37 4.33 5.02 -1.26 -4.30 118.16 124.67 1cnp n LYS 31 Ca 0.72 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 57.03 1cnp n LYS 31 Cb 0.32 0.00 0.09 0.00 -0.02 0.00 0.00 35.03 35.41 1cnp n LYS 31 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1cnp h LYS 32 N 0.00 -0.00 -0.70 1.97 1.57 -1.96 0.44 116.57 117.88 1cnp h LYS 32 Ca 0.00 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 1cnp h LYS 32 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 1cnp h LYS 32 CO 0.00 -0.00 0.39 0.93 -0.57 0.00 0.00 179.45 180.19 1cnp h GLU 33 N -0.00 0.67 0.00 3.15 3.07 -1.88 -0.84 114.58 118.76 1cnp h GLU 33 Ca 0.41 -0.04 -0.20 0.00 -0.50 0.00 0.00 59.36 59.02 1cnp h GLU 33 Cb 0.66 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 28.38 1cnp h GLU 33 CO -1.00 0.45 -1.04 -0.07 -1.40 0.00 0.00 179.01 175.94 1cnp h LEU 34 N 0.69 0.00 -0.33 1.33 3.38 -0.82 -3.20 115.31 116.36 1cnp h LEU 34 Ca 0.32 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.32 1cnp h LEU 34 Cb 0.24 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1cnp h LEU 34 CO -0.21 0.90 0.14 0.50 0.09 0.00 0.00 178.44 179.86 1cnp h LYS 35 N 0.00 0.29 -0.68 1.13 1.63 0.82 0.43 116.57 120.19 1cnp h LYS 35 Ca -0.06 -0.02 0.11 0.00 -0.85 0.00 0.00 60.65 59.83 1cnp h LYS 35 Cb 1.74 -0.07 -0.12 0.00 -0.60 0.00 0.00 32.23 33.18 1cnp h LYS 35 CO 0.11 0.19 -0.39 1.49 -3.45 0.00 0.00 179.45 177.40 1cnp h GLU 36 N 0.30 -0.14 0.00 1.90 4.57 -1.30 -3.03 114.58 116.88 1cnp h GLU 36 Ca 0.14 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1cnp h GLU 36 Cb 0.09 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1cnp h GLU 36 CO -0.12 -0.10 0.00 -0.11 -1.18 0.00 0.00 179.01 177.50 1cnp n LEU 37 N -5.42 0.35 -0.29 1.64 0.00 -0.63 -3.89 117.00 108.76 1cnp n LEU 37 Ca 0.04 0.65 -0.07 0.00 0.00 0.00 0.00 56.01 56.63 1cnp n LEU 37 Cb 0.36 -0.29 -0.03 0.00 0.00 0.00 0.00 43.42 43.46 1cnp n LEU 37 CO -0.03 -0.29 0.55 0.16 0.00 0.00 0.00 177.39 177.78 1cnp h ILE 38 N 0.00 0.05 -0.06 1.96 -0.00 -0.23 0.96 117.51 120.18 1cnp h ILE 38 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 64.86 64.86 1cnp h ILE 38 Cb 0.00 0.05 -0.00 0.00 -0.00 0.00 0.00 36.82 36.87 1cnp h ILE 38 CO 0.00 0.00 0.03 -0.61 -0.00 0.00 0.00 178.15 177.57 1cnp h GLN 39 N -0.14 0.08 0.15 0.16 5.75 -1.73 0.77 115.11 120.15 1cnp h GLN 39 Ca 0.21 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.70 1cnp h GLN 39 Cb 0.54 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.08 1cnp h GLN 39 CO -0.80 0.12 -0.07 0.87 -2.65 0.00 0.00 178.83 176.29 1cnp h LYS 40 N 0.02 -0.19 0.00 1.69 1.57 -1.50 -3.26 116.57 114.91 1cnp h LYS 40 Ca 0.02 0.01 -0.21 0.00 -1.87 0.00 0.00 60.65 58.60 1cnp h LYS 40 Cb 0.06 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1cnp h LYS 40 CO -0.00 -0.09 -1.17 0.93 -0.57 0.00 0.00 179.45 178.55 1cnp h GLU 41 N -1.05 0.00 0.00 3.15 4.39 -0.91 -1.96 114.58 118.20 1cnp h GLU 41 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1cnp h GLU 41 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1cnp h GLU 41 CO 0.03 0.69 -0.43 1.28 -1.16 0.00 0.00 179.01 179.43 1cnp n LEU 42 N -3.19 1.29 -4.69 1.33 4.77 -0.38 -3.91 117.00 112.21 1cnp n LEU 42 Ca -0.05 0.46 -0.33 0.00 -0.03 0.00 0.00 56.01 56.05 1cnp n LEU 42 Cb 0.93 -0.74 0.13 0.00 -2.33 0.00 0.00 43.42 41.41 1cnp n LEU 42 CO 0.45 -0.45 0.75 0.35 -1.33 0.00 0.00 177.39 177.16 1cnp n THR 43 N -3.90 1.83 -4.07 -5.08 -2.24 0.13 -2.35 114.28 98.59 1cnp n THR 43 Ca -0.06 -0.19 -0.45 0.00 -2.27 0.00 0.00 64.05 61.08 1cnp n THR 43 Cb 0.22 -1.18 0.02 0.00 -2.10 0.00 0.00 70.33 67.30 1cnp n THR 43 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cnp n ILE 44 N -3.40 -2.60 -3.90 2.28 3.06 -1.26 -1.03 119.36 112.51 1cnp n ILE 44 Ca 0.13 -0.54 -0.28 0.00 -2.50 0.00 0.00 62.75 59.57 1cnp n ILE 44 Cb 0.51 -2.22 -0.00 0.00 0.54 0.00 0.00 39.64 38.46 1cnp n ILE 44 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1cnp n GLY 45 N -2.06 -0.42 3.10 4.50 0.00 -1.25 -0.33 105.19 108.72 1cnp n GLY 45 Ca -0.12 0.23 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 1cnp n GLY 45 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1cnp n SER 46 N -2.88 -6.95 -3.83 1.61 7.64 -0.19 -3.62 113.62 105.40 1cnp n SER 46 Ca -0.25 -0.41 -0.28 0.00 1.01 0.00 0.00 58.87 58.94 1cnp n SER 46 Cb 0.66 -5.07 0.03 0.00 -1.01 0.00 0.00 64.21 58.82 1cnp n SER 46 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1cnp n LYS 47 N -2.53 -5.72 0.02 1.43 0.00 -0.22 -4.87 118.16 106.27 1cnp n LYS 47 Ca -0.04 0.63 0.04 0.00 -0.00 0.00 0.00 58.31 58.94 1cnp n LYS 47 Cb 0.56 -5.48 0.42 0.00 -0.00 0.00 0.00 35.03 30.53 1cnp n LYS 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1cnp h LEU 48 N -2.12 0.44 0.00 -5.58 5.85 -0.74 -3.40 115.31 109.75 1cnp h LEU 48 Ca -0.59 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.11 1cnp h LEU 48 Cb 1.37 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.29 1cnp h LEU 48 CO 0.64 0.35 -0.06 1.67 -0.34 0.00 0.00 178.44 180.70 1cnp n GLN 49 N -4.44 0.00 -1.01 1.25 7.27 -1.26 -5.11 117.38 114.08 1cnp n GLN 49 Ca 0.02 0.00 0.12 0.00 0.07 0.00 0.00 57.00 57.22 1cnp n GLN 49 Cb 0.09 -0.12 -0.06 0.00 2.41 0.00 0.00 30.24 32.56 1cnp n GLN 49 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1cnp n ASP 50 N -3.28 -5.60 -3.58 1.69 2.03 -1.26 -5.10 116.55 101.45 1cnp n ASP 50 Ca 0.00 0.96 -0.09 0.00 0.52 0.00 0.00 54.79 56.19 1cnp n ASP 50 Cb 0.03 -3.43 -0.05 0.00 -0.72 0.00 0.00 41.12 36.95 1cnp n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1cnp s ALA 51 N -3.70 -1.96 0.22 -1.67 0.00 -1.26 -4.96 121.76 108.42 1cnp s ALA 51 Ca 0.00 1.61 -0.08 0.00 0.00 0.00 0.00 51.96 53.49 1cnp s ALA 51 Cb 0.00 -0.76 0.33 0.00 0.00 0.00 0.00 23.12 22.68 1cnp s ALA 51 CO 0.00 -0.33 1.73 0.93 0.00 0.00 0.00 175.76 178.09 1cnp h GLU 52 N 2.42 0.35 -0.52 0.00 4.39 -1.99 0.30 114.58 119.53 1cnp h GLU 52 Ca -0.16 -0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.62 1cnp h GLU 52 Cb 1.17 -0.08 -0.10 0.00 -0.10 0.00 0.00 28.75 29.64 1cnp h GLU 52 CO 0.29 0.23 -0.14 0.82 -1.16 0.00 0.00 179.01 179.05 1cnp h ILE 53 N 0.36 0.45 0.09 3.13 1.08 -1.98 -0.08 117.51 120.56 1cnp h ILE 53 Ca 0.34 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.80 1cnp h ILE 53 Cb 0.47 0.45 0.00 0.00 -3.07 0.00 0.00 36.82 34.67 1cnp h ILE 53 CO -0.36 0.00 -0.04 0.58 -0.69 0.00 0.00 178.15 177.63 1cnp h VAL 54 N -0.02 1.03 0.00 1.67 2.07 -0.87 0.13 116.25 120.26 1cnp h VAL 54 Ca 0.25 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1cnp h VAL 54 Cb 0.40 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1cnp h VAL 54 CO -0.55 0.10 0.00 0.07 0.02 0.00 0.00 177.57 177.22 1cnp h LYS 55 N -0.31 0.00 0.14 1.57 2.10 -0.81 0.71 116.57 119.98 1cnp h LYS 55 Ca -0.01 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.38 1cnp h LYS 55 Cb 0.26 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.60 1cnp h LYS 55 CO 0.02 0.00 -1.26 -0.07 -2.00 0.00 0.00 179.45 176.14 1cnp h LEU 56 N 0.00 0.46 -0.05 7.07 3.38 -0.78 -3.41 115.31 121.97 1cnp h LEU 56 Ca 0.00 -0.89 -0.09 0.00 0.09 0.00 0.00 57.88 56.98 1cnp h LEU 56 Cb 0.40 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1cnp h LEU 56 CO 0.00 1.57 -0.34 0.24 0.09 0.00 0.00 178.44 180.00 1cnp h MET 57 N -0.26 0.32 -0.40 1.13 2.86 -0.10 -3.39 114.93 115.08 1cnp h MET 57 Ca -0.25 -0.27 0.04 0.00 -2.06 0.00 0.00 59.70 57.15 1cnp h MET 57 Cb 1.78 0.06 -0.05 0.00 0.06 0.00 0.00 31.60 33.45 1cnp h MET 57 CO 0.11 0.93 -0.24 -0.40 1.06 0.00 0.00 176.91 178.37 1cnp n ASP 58 N -4.42 -0.43 0.00 1.22 5.75 0.19 -0.67 116.55 118.19 1cnp n ASP 58 Ca -0.09 0.78 0.01 0.00 -0.01 0.00 0.00 54.79 55.48 1cnp n ASP 58 Cb 0.52 -0.12 0.06 0.00 -1.03 0.00 0.00 41.12 40.54 1cnp n ASP 58 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1cnp n ASP 59 N -4.31 0.00 -0.34 -1.12 8.00 -1.26 -3.75 116.55 113.76 1cnp n ASP 59 Ca 0.01 0.44 0.14 0.00 0.71 0.00 0.00 54.79 56.08 1cnp n ASP 59 Cb 0.11 -0.45 0.35 0.00 -0.02 0.00 0.00 41.12 41.11 1cnp n ASP 59 CO 0.00 0.00 0.00 0.17 -0.39 0.00 0.00 177.20 176.98 1cnp h LEU 60 N 0.00 0.74 -0.76 0.64 8.10 -1.18 0.26 115.31 123.11 1cnp h LEU 60 Ca 0.00 0.09 -0.07 0.00 0.11 0.00 0.00 57.88 58.01 1cnp h LEU 60 Cb 0.04 -0.04 -0.03 0.00 -0.44 0.00 0.00 40.66 40.20 1cnp h LEU 60 CO 0.00 0.25 0.10 -0.78 -4.11 0.00 0.00 178.44 173.91 1cnp h ASP 61 N 0.71 1.00 0.00 0.17 3.58 -1.83 -3.28 116.42 116.78 1cnp h ASP 61 Ca 0.58 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.79 1cnp h ASP 61 Cb 0.96 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.75 1cnp h ASP 61 CO -0.37 0.99 0.00 0.54 -2.88 0.00 0.00 179.24 177.53 1cnp n ARG 62 N -4.22 0.69 0.07 0.28 1.74 0.91 -4.00 116.66 112.14 1cnp n ARG 62 Ca 0.04 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.24 1cnp n ARG 62 Cb 0.28 -1.24 0.12 0.00 -1.02 0.00 0.00 32.46 30.61 1cnp n ARG 62 CO 0.00 0.00 0.00 -2.95 -1.52 0.00 0.00 177.63 173.16 1cnp h ASN 63 N 0.48 0.00 0.09 0.55 7.08 -1.66 -3.41 115.58 118.71 1cnp h ASN 63 Ca 0.00 -0.18 -0.17 0.00 -3.08 0.00 0.00 56.30 52.87 1cnp h ASN 63 Cb 0.54 0.00 0.02 0.00 -2.08 0.00 0.00 38.32 36.80 1cnp h ASN 63 CO 0.00 0.09 -0.73 0.11 -2.08 0.00 0.00 177.43 174.83 1cnp h LYS 64 N 0.00 0.34 -4.16 4.14 1.57 -1.90 -3.38 116.57 113.19 1cnp h LYS 64 Ca 0.00 -0.48 -0.68 0.00 -1.87 0.00 0.00 60.65 57.62 1cnp h LYS 64 Cb 0.80 0.16 -0.37 0.00 0.08 0.00 0.00 32.23 32.90 1cnp h LYS 64 CO 0.00 1.19 -0.56 0.34 -0.57 0.00 0.00 179.45 179.85 1cnp s ASP 65 N -6.88 5.00 0.46 0.86 2.15 -1.26 -4.98 116.67 112.02 1cnp s ASP 65 Ca -0.13 -2.40 0.34 0.00 0.43 0.00 0.00 52.55 50.79 1cnp s ASP 65 Cb 0.02 -1.76 1.51 0.00 -0.30 0.00 0.00 42.92 42.39 1cnp s ASP 65 CO 0.83 -0.42 1.59 0.06 -0.17 0.00 0.00 175.17 177.06 1cnp h GLN 66 N 7.48 0.03 -1.66 4.34 3.07 -1.80 -0.63 115.11 125.94 1cnp h GLN 66 Ca -0.08 -0.00 -0.74 0.00 0.09 0.00 0.00 58.65 57.93 1cnp h GLN 66 Cb 1.00 -0.01 -0.28 0.00 0.08 0.00 0.00 27.48 28.27 1cnp h GLN 66 CO 0.66 0.02 0.97 0.39 0.09 0.00 0.00 178.83 180.96 1cnp n GLU 67 N -4.60 2.75 0.00 0.06 -0.58 -1.26 -4.34 120.64 112.66 1cnp n GLU 67 Ca 0.40 -3.46 0.00 0.00 -0.42 0.00 0.00 57.16 53.68 1cnp n GLU 67 Cb 1.59 -2.28 0.00 0.00 -0.57 0.00 0.00 31.44 30.18 1cnp n GLU 67 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1cnp n VAL 68 N -0.66 0.00 -0.89 2.62 0.24 -0.24 -0.89 118.33 118.50 1cnp n VAL 68 Ca 0.57 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.59 1cnp n VAL 68 Cb 0.38 0.00 0.23 0.00 -1.47 0.00 0.00 33.84 32.98 1cnp n VAL 68 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1cnp n ASN 69 N 0.00 -2.26 -0.26 -1.34 0.23 -1.26 -3.69 115.26 106.68 1cnp n ASN 69 Ca 0.00 -1.07 0.02 0.00 -0.53 0.00 0.00 54.58 53.01 1cnp n ASN 69 Cb 0.00 -0.91 0.15 0.00 -2.08 0.00 0.00 39.78 36.94 1cnp n ASN 69 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1cnp h PHE 70 N -2.74 0.67 -0.28 -2.53 3.57 -1.92 -2.45 116.94 111.26 1cnp h PHE 70 Ca -0.37 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.22 1cnp h PHE 70 Cb 1.15 -0.19 -0.08 0.00 2.79 0.00 0.00 35.95 39.62 1cnp h PHE 70 CO 0.00 0.23 -0.32 0.37 -2.23 0.00 0.00 178.31 176.37 1cnp h GLN 71 N 0.62 -0.30 0.75 1.11 -0.00 -1.98 0.20 115.11 115.51 1cnp h GLN 71 Ca 0.37 0.02 -0.04 0.00 -0.00 0.00 0.00 58.65 59.00 1cnp h GLN 71 Cb 0.40 0.07 0.01 0.00 0.00 0.00 0.00 27.48 27.95 1cnp h GLN 71 CO -0.28 -0.20 -0.36 0.93 0.00 0.00 0.00 178.83 178.92 1cnp h GLU 72 N -0.31 -0.97 -0.90 1.69 4.39 -1.79 0.17 114.58 116.86 1cnp h GLU 72 Ca 0.14 0.07 0.16 0.00 0.34 0.00 0.00 59.36 60.06 1cnp h GLU 72 Cb 0.53 0.22 -0.16 0.00 -0.10 0.00 0.00 28.75 29.25 1cnp h GLU 72 CO -0.45 -0.64 -0.32 -0.92 -1.16 0.00 0.00 179.01 175.52 1cnp h TYR 73 N -1.07 -0.84 0.17 4.33 3.20 -1.22 0.24 116.97 121.77 1cnp h TYR 73 Ca -0.10 0.09 -0.27 0.00 3.14 0.00 0.00 58.73 61.59 1cnp h TYR 73 Cb 0.79 0.50 0.03 0.00 1.54 0.00 0.00 36.73 39.59 1cnp h TYR 73 CO -0.01 -0.40 -1.14 0.97 -1.64 0.00 0.00 178.16 175.94 1cnp h ILE 74 N -0.03 1.37 -0.35 1.81 6.09 -0.49 -1.29 117.51 124.62 1cnp h ILE 74 Ca 0.36 -2.54 0.07 0.00 -1.37 0.00 0.00 64.86 61.39 1cnp h ILE 74 Cb 0.62 2.97 -0.09 0.00 0.47 0.00 0.00 36.82 40.79 1cnp h ILE 74 CO -0.92 0.75 -0.33 0.74 -3.07 0.00 0.00 178.15 175.31 1cnp h THR 75 N -0.00 0.23 -0.05 2.19 2.02 -0.25 0.24 112.91 117.28 1cnp h THR 75 Ca -0.19 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.03 1cnp h THR 75 Cb 1.87 0.23 -0.06 0.00 -1.74 0.00 0.00 68.15 68.46 1cnp h THR 75 CO 0.22 0.00 -0.34 0.15 0.37 0.00 0.00 175.52 175.91 1cnp h PHE 76 N -0.28 -0.95 -0.76 3.16 3.57 -0.99 0.20 116.94 120.88 1cnp h PHE 76 Ca 0.16 0.03 0.16 0.00 3.53 0.00 0.00 57.97 61.85 1cnp h PHE 76 Cb 0.54 0.43 -0.11 0.00 2.79 0.00 0.00 35.95 39.61 1cnp h PHE 76 CO -0.52 -0.43 0.25 1.25 -2.23 0.00 0.00 178.31 176.63 1cnp h LEU 77 N -0.47 0.15 0.02 0.59 6.46 -0.35 0.12 115.31 121.83 1cnp h LEU 77 Ca 0.07 0.13 0.02 0.00 -0.12 0.00 0.00 57.88 57.98 1cnp h LEU 77 Cb 0.58 0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.63 1cnp h LEU 77 CO -0.31 0.02 -0.13 1.23 -0.62 0.00 0.00 178.44 178.63 1cnp h GLY 78 N 0.35 -0.18 0.68 3.75 0.00 0.47 0.13 103.07 108.27 1cnp h GLY 78 Ca 0.43 0.15 0.01 0.00 0.00 0.00 0.00 47.33 47.92 1cnp h GLY 78 CO -0.47 -0.13 -0.24 0.00 0.00 0.00 0.00 176.54 175.69 1cnp h ALA 79 N 0.71 -0.48 -0.60 3.60 0.00 -0.15 -2.91 119.26 119.43 1cnp h ALA 79 Ca 0.04 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 54.98 1cnp h ALA 79 Cb 0.28 0.36 -0.08 0.00 0.00 0.00 0.00 17.79 18.35 1cnp h ALA 79 CO -0.12 -0.80 0.20 -0.07 0.00 0.00 0.00 179.25 178.46 1cnp h LEU 80 N -0.50 0.16 -0.56 0.00 3.38 -0.55 -2.02 115.31 115.22 1cnp h LEU 80 Ca 0.00 0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.12 1cnp h LEU 80 Cb 0.48 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 1cnp h LEU 80 CO -0.08 0.10 0.28 0.00 0.09 0.00 0.00 178.44 178.83 1cnp h ALA 81 N 1.43 0.73 0.00 1.53 0.00 -0.61 0.27 119.26 122.61 1cnp h ALA 81 Ca 0.31 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1cnp h ALA 81 Cb 0.40 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1cnp h ALA 81 CO -0.33 -0.07 0.00 -1.33 0.00 0.00 0.00 179.25 177.52 1cnp n MET 82 N -4.87 0.07 -0.00 0.00 2.81 -0.79 -0.02 117.12 114.32 1cnp n MET 82 Ca 0.06 0.25 -0.00 0.00 -1.81 0.00 0.00 57.70 56.20 1cnp n MET 82 Cb 0.16 -1.50 -0.00 0.00 -0.71 0.00 0.00 33.22 31.17 1cnp n MET 82 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1cnp n ILE 83 N -1.41 0.01 0.13 2.02 5.41 0.42 -4.70 119.36 121.25 1cnp n ILE 83 Ca 0.04 0.50 -0.24 0.00 1.00 0.00 0.00 62.75 64.04 1cnp n ILE 83 Cb 0.11 -1.51 -0.16 0.00 -0.71 0.00 0.00 39.64 37.38 1cnp n ILE 83 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 176.55 176.65 1cnp h TYR 84 N -0.01 0.92 -0.46 1.39 -0.00 -0.58 -3.34 116.97 114.88 1cnp h TYR 84 Ca 0.00 -0.67 -0.11 0.00 0.00 0.00 0.00 58.73 57.95 1cnp h TYR 84 Cb 0.01 -0.04 -0.06 0.00 0.00 0.00 0.00 36.73 36.64 1cnp h TYR 84 CO -0.00 1.56 0.14 -1.71 -0.00 0.00 0.00 178.16 178.15 1cnp n ASN 85 N -3.74 3.91 -4.30 0.10 5.15 0.97 -4.93 115.26 112.42 1cnp n ASN 85 Ca -0.18 -2.75 -0.13 0.00 -0.60 0.00 0.00 54.58 50.92 1cnp n ASN 85 Cb 1.08 -0.65 -0.09 0.00 -0.53 0.00 0.00 39.78 39.59 1cnp n ASN 85 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1cnp n GLU 86 N 0.10 0.06 -0.31 1.20 4.07 -1.10 -4.45 120.64 120.21 1cnp n GLU 86 Ca 0.25 -1.15 0.08 0.00 -0.06 0.00 0.00 57.16 56.27 1cnp n GLU 86 Cb 1.00 -2.97 0.13 0.00 -0.06 0.00 0.00 31.44 29.54 1cnp n GLU 86 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1cnp n ALA 87 N 14.51 2.52 -0.02 4.31 0.00 -1.26 -4.66 120.51 135.91 1cnp n ALA 87 Ca 0.30 -2.53 -0.04 0.00 0.00 0.00 0.00 53.44 51.17 1cnp n ALA 87 Cb 0.46 -0.41 -0.01 0.00 0.00 0.00 0.00 19.45 19.49 1cnp n ALA 87 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1cnp n LEU 88 N -1.09 1.10 -0.02 0.00 4.32 -1.26 -4.77 117.00 115.28 1cnp n LEU 88 Ca 0.14 0.17 -0.17 0.00 -0.02 0.00 0.00 56.01 56.13 1cnp n LEU 88 Cb 0.68 -0.49 -0.14 0.00 -1.62 0.00 0.00 43.42 41.86 1cnp n LEU 88 CO -0.00 -0.48 0.17 0.11 -1.22 0.00 0.00 177.39 175.96 1cnp h LYS 89 N -0.40 0.13 -0.02 3.23 1.57 -1.91 -3.53 116.57 115.64 1cnp h LYS 89 Ca 0.00 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1cnp h LYS 89 Cb 0.40 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1cnp h LYS 89 CO 0.00 1.11 0.00 0.41 -0.57 0.00 0.00 179.45 180.40