#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pcg s ILE 2 N 0.00 5.04 -0.08 4.25 -1.09 -1.26 -5.07 121.20 122.99 3pcg s ILE 2 Ca 0.00 1.37 0.04 0.00 -2.23 0.00 0.00 60.65 59.83 3pcg s ILE 2 Cb 0.00 -4.01 -0.01 0.00 -1.58 0.00 0.00 42.46 36.86 3pcg s ILE 2 CO 0.00 0.22 -0.21 -1.61 -1.23 0.00 0.00 174.94 172.11 3pcg s GLU 3 N 1.07 2.83 0.37 2.79 0.41 -1.26 -5.14 118.70 119.78 3pcg s GLU 3 Ca 0.35 -0.82 -0.02 0.00 -0.41 0.00 0.00 54.97 54.07 3pcg s GLU 3 Cb -0.17 -2.32 0.08 0.00 -1.78 0.00 0.00 34.13 29.93 3pcg s GLU 3 CO 0.16 0.34 0.51 1.28 -0.49 0.00 0.00 175.26 177.05 3pcg n LEU 4 N 3.11 0.00 -4.77 1.80 4.32 -1.26 -5.04 117.00 115.16 3pcg n LEU 4 Ca -0.18 -0.93 -0.37 0.00 -0.02 0.00 0.00 56.01 54.51 3pcg n LEU 4 Cb 0.52 -0.34 -0.00 0.00 -1.62 0.00 0.00 43.42 41.98 3pcg n LEU 4 CO 0.27 -0.78 0.85 -0.76 -1.22 0.00 0.00 177.39 175.75 3pcg s LEU 5 N 0.00 3.99 0.38 2.23 1.43 -1.26 -4.98 118.68 120.47 3pcg s LEU 5 Ca 0.32 2.37 -0.24 0.00 -1.03 0.00 0.00 54.13 55.55 3pcg s LEU 5 Cb -0.02 -4.24 -0.10 0.00 0.03 0.00 0.00 46.19 41.87 3pcg s LEU 5 CO 0.22 -1.00 0.99 -2.84 0.23 0.00 0.00 176.35 173.94 3pcg s PRO 6 N -2.72 4.32 0.44 1.29 0.02 -1.26 -5.01 135.00 132.08 3pcg s PRO 6 Ca 0.65 1.36 -0.23 0.00 0.02 0.00 0.00 61.00 62.79 3pcg s PRO 6 Cb -0.30 -2.55 -0.08 0.00 0.02 0.00 0.00 34.50 31.59 3pcg s PRO 6 CO 0.37 0.03 1.13 -2.00 -0.33 0.00 0.00 177.00 176.19 3pcg s GLU 7 N -2.50 3.90 0.31 5.54 2.12 -1.26 -4.95 118.70 121.86 3pcg s GLU 7 Ca 0.56 1.69 -0.30 0.00 0.36 0.00 0.00 54.97 57.28 3pcg s GLU 7 Cb -0.18 -2.46 -0.11 0.00 0.26 0.00 0.00 34.13 31.64 3pcg s GLU 7 CO 0.23 -0.41 1.58 0.99 -0.54 0.00 0.00 175.26 177.11 3pcg s THR 8 N -1.58 2.03 0.42 -1.70 2.01 -1.26 -4.93 115.64 110.63 3pcg s THR 8 Ca 0.61 0.03 -0.25 0.00 0.31 0.00 0.00 61.69 62.39 3pcg s THR 8 Cb -0.26 -3.02 -0.08 0.00 0.01 0.00 0.00 72.50 69.15 3pcg s THR 8 CO 0.32 0.01 1.24 -2.84 -0.69 0.00 0.00 174.62 172.66 3pcg s PRO 9 N -0.77 3.91 0.71 4.92 0.02 -1.26 -5.02 135.00 137.50 3pcg s PRO 9 Ca 0.62 2.00 -0.11 0.00 0.02 0.00 0.00 61.00 63.53 3pcg s PRO 9 Cb -0.48 -2.65 0.02 0.00 0.02 0.00 0.00 34.50 31.41 3pcg s PRO 9 CO 0.51 -0.49 1.07 0.45 -0.33 0.00 0.00 177.00 178.20 3pcg s SER 10 N -0.97 5.26 0.02 2.53 0.15 -1.26 -5.09 113.70 114.34 3pcg s SER 10 Ca 0.59 1.55 -0.08 0.00 0.70 0.00 0.00 55.95 58.71 3pcg s SER 10 Cb -0.34 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 61.56 3pcg s SER 10 CO 0.43 -1.51 0.16 -1.10 1.20 0.00 0.00 173.24 172.42 3pcg s GLN 11 N -5.07 0.57 0.69 5.44 -1.52 -1.15 -4.91 119.66 113.69 3pcg s GLN 11 Ca 0.58 -0.51 -0.17 0.00 -1.95 0.00 0.00 55.36 53.32 3pcg s GLN 11 Cb -0.14 0.23 -0.01 0.00 -0.22 0.00 0.00 33.01 32.88 3pcg s GLN 11 CO 0.55 -0.15 1.01 -2.37 -0.25 0.00 0.00 175.29 174.08 3pcg n THR 12 N 1.12 3.29 0.16 -0.19 5.66 -1.21 -4.78 114.28 118.34 3pcg n THR 12 Ca -0.21 -0.41 0.03 0.00 -3.05 0.00 0.00 64.05 60.41 3pcg n THR 12 Cb 0.57 -1.16 0.18 0.00 -1.55 0.00 0.00 70.33 68.37 3pcg n THR 12 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3pcg h ALA 13 N -0.02 0.82 0.00 1.79 0.00 -1.75 -3.50 119.26 116.61 3pcg h ALA 13 Ca -0.48 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 53.99 3pcg h ALA 13 Cb 1.34 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3pcg h ALA 13 CO 0.48 0.60 0.00 0.41 0.00 0.00 0.00 179.25 180.75 3pcg n GLY 14 N 0.70 -1.58 0.28 0.00 0.00 -1.26 -4.01 105.19 99.31 3pcg n GLY 14 Ca 0.01 -1.53 0.17 0.00 0.00 0.00 0.00 46.02 44.66 3pcg n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3pcg h PRO 15 N 0.00 0.00 -0.64 1.61 0.13 -1.92 -3.12 132.00 128.05 3pcg h PRO 15 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3pcg h PRO 15 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3pcg h PRO 15 CO 0.00 0.02 0.00 0.66 -0.23 0.00 0.00 178.00 178.45 3pcg n TYR 16 N -3.13 1.32 -0.34 1.56 4.01 -1.26 -4.56 117.16 114.75 3pcg n TYR 16 Ca 0.00 -0.53 0.21 0.00 -0.16 0.00 0.00 57.90 57.42 3pcg n TYR 16 Cb 0.29 -0.22 0.43 0.00 -0.31 0.00 0.00 39.34 39.54 3pcg n TYR 16 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 3pcg h VAL 17 N 3.66 0.46 -0.91 -0.72 3.04 -1.68 -1.75 116.25 118.34 3pcg h VAL 17 Ca 0.00 -0.16 0.14 0.00 -1.01 0.00 0.00 66.70 65.67 3pcg h VAL 17 Cb 1.31 -0.06 -0.07 0.00 -2.01 0.00 0.00 31.29 30.46 3pcg h VAL 17 CO 0.20 0.09 0.59 0.45 -1.01 0.00 0.00 177.57 177.89 3pcg h HIS 18 N 0.47 0.89 0.00 3.17 3.86 -1.86 -1.32 115.15 120.37 3pcg h HIS 18 Ca 0.67 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.89 3pcg h HIS 18 Cb 1.43 -0.28 -0.00 0.00 1.06 0.00 0.00 27.41 29.61 3pcg h HIS 18 CO -0.01 0.33 -0.07 -0.84 0.86 0.00 0.00 177.93 178.21 3pcg h ILE 19 N 0.76 1.04 0.05 2.45 3.07 -1.55 0.25 117.51 123.56 3pcg h ILE 19 Ca 0.46 -0.24 -0.35 0.00 1.55 0.00 0.00 64.86 66.28 3pcg h ILE 19 Cb 0.67 1.13 -0.05 0.00 -0.27 0.00 0.00 36.82 38.31 3pcg h ILE 19 CO -0.22 0.07 -2.07 0.61 -1.05 0.00 0.00 178.15 175.49 3pcg n GLY 20 N -1.33 -0.72 0.04 0.16 0.00 -0.73 -4.59 105.19 98.02 3pcg n GLY 20 Ca -0.03 -0.20 0.01 0.00 0.00 0.00 0.00 46.02 45.80 3pcg n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3pcg n LEU 21 N -3.20 0.69 -2.94 0.99 4.77 -0.58 -4.81 117.00 111.92 3pcg n LEU 21 Ca -0.30 -0.79 -0.13 0.00 -0.03 0.00 0.00 56.01 54.75 3pcg n LEU 21 Cb 1.06 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 42.18 3pcg n LEU 21 CO 0.40 0.16 0.06 0.00 -1.33 0.00 0.00 177.39 176.69 3pcg n ALA 22 N -0.39 0.46 -0.38 -1.18 0.00 0.82 -4.97 120.51 114.88 3pcg n ALA 22 Ca 0.01 -2.34 -0.09 0.00 0.00 0.00 0.00 53.44 51.01 3pcg n ALA 22 Cb 0.03 -1.06 -0.07 0.00 0.00 0.00 0.00 19.45 18.35 3pcg n ALA 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3pcg h LEU 23 N 3.15 -1.97 -0.51 0.00 4.07 -1.67 -0.96 115.31 117.42 3pcg h LEU 23 Ca -0.01 0.31 0.08 0.00 0.08 0.00 0.00 57.88 58.34 3pcg h LEU 23 Cb 1.03 0.89 -0.10 0.00 1.08 0.00 0.00 40.66 43.56 3pcg h LEU 23 CO 0.31 -0.26 -0.43 -0.08 -1.08 0.00 0.00 178.44 176.90 3pcg h GLU 24 N -0.05 -0.26 -0.56 1.13 4.81 -1.87 -0.65 114.58 117.13 3pcg h GLU 24 Ca 0.19 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.50 3pcg h GLU 24 Cb 0.47 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.87 3pcg h GLU 24 CO -0.90 -0.17 0.37 0.00 -0.73 0.00 0.00 179.01 177.58 3pcg h ALA 25 N 0.54 1.90 0.00 2.92 0.00 -1.56 0.30 119.26 123.35 3pcg h ALA 25 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3pcg h ALA 25 Cb 0.57 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3pcg h ALA 25 CO -0.64 0.00 0.00 0.00 0.00 0.00 0.00 179.25 178.61 3pcg h ALA 26 N 1.70 1.00 -1.04 0.00 0.00 -0.00 -3.46 119.26 117.46 3pcg h ALA 26 Ca 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3pcg h ALA 26 Cb 0.34 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.14 3pcg h ALA 26 CO -0.07 0.00 -0.05 0.41 0.00 0.00 0.00 179.25 179.54 3pcg n GLY 27 N -0.07 0.67 3.49 0.00 0.00 0.11 -4.96 105.19 104.43 3pcg n GLY 27 Ca 0.01 -0.67 -0.25 0.00 0.00 0.00 0.00 46.02 45.11 3pcg n GLY 27 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3pcg s ASN 28 N -2.99 3.75 0.45 1.61 0.01 -0.76 -5.03 114.94 111.97 3pcg s ASN 28 Ca 0.03 -0.90 -0.25 0.00 -0.71 0.00 0.00 52.86 51.03 3pcg s ASN 28 Cb -0.01 -0.41 -0.09 0.00 0.41 0.00 0.00 41.25 41.15 3pcg s ASN 28 CO 0.04 0.06 1.41 -0.81 -1.51 0.00 0.00 177.10 176.29 3pcg n PRO 29 N -0.41 2.21 -2.92 -0.60 -0.04 -1.26 -3.90 135.00 128.08 3pcg n PRO 29 Ca -0.07 0.79 -0.18 0.00 -0.04 0.00 0.00 63.50 63.99 3pcg n PRO 29 Cb 0.59 -2.60 0.02 0.00 -0.04 0.00 0.00 33.50 31.46 3pcg n PRO 29 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3pcg s THR 30 N -1.19 2.92 0.53 0.52 -4.23 -1.26 -4.86 115.64 108.07 3pcg s THR 30 Ca 0.61 -0.91 0.04 0.00 -1.18 0.00 0.00 61.69 60.25 3pcg s THR 30 Cb -0.46 -3.01 0.04 0.00 1.34 0.00 0.00 72.50 70.42 3pcg s THR 30 CO 0.58 -0.00 0.73 -0.13 -0.54 0.00 0.00 174.62 175.25 3pcg s ARG 31 N -4.46 2.53 0.17 3.99 0.52 -1.26 -5.01 118.95 115.42 3pcg s ARG 31 Ca 0.56 -1.06 -0.21 0.00 -0.52 0.00 0.00 55.73 54.50 3pcg s ARG 31 Cb -0.10 -2.58 0.09 0.00 0.52 0.00 0.00 34.95 32.88 3pcg s ARG 31 CO 0.34 -0.65 1.61 -0.44 0.02 0.00 0.00 175.30 176.19 3pcg h ASP 32 N 0.22 -0.88 -3.29 0.23 5.19 -2.07 -3.39 116.42 112.43 3pcg h ASP 32 Ca -0.39 0.18 -0.66 0.00 -0.62 0.00 0.00 57.03 55.53 3pcg h ASP 32 Cb 1.29 0.44 -0.29 0.00 0.18 0.00 0.00 39.33 40.94 3pcg h ASP 32 CO 0.47 -0.28 -0.78 -1.10 -3.12 0.00 0.00 179.24 174.43 3pcg s GLN 33 N -6.07 3.26 0.02 3.56 -0.21 -1.26 -5.11 119.66 113.85 3pcg s GLN 33 Ca -0.15 -0.72 0.04 0.00 0.02 0.00 0.00 55.36 54.55 3pcg s GLN 33 Cb 0.14 -2.70 -0.02 0.00 1.00 0.00 0.00 33.01 31.44 3pcg s GLN 33 CO 0.69 -0.01 -0.11 -1.21 -2.12 0.00 0.00 175.29 172.53 3pcg s GLU 34 N 0.90 0.82 -0.47 2.91 0.41 -1.26 -5.12 118.70 116.88 3pcg s GLU 34 Ca -0.03 -0.58 -0.23 0.00 -0.41 0.00 0.00 54.97 53.72 3pcg s GLU 34 Cb -0.15 -0.78 0.03 0.00 -1.78 0.00 0.00 34.13 31.45 3pcg s GLU 34 CO -0.01 0.20 0.80 0.42 -0.49 0.00 0.00 175.26 176.19 3pcg s ILE 35 N -0.65 4.61 0.00 -1.63 1.01 -1.26 -5.01 121.20 118.27 3pcg s ILE 35 Ca 0.01 0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.99 3pcg s ILE 35 Cb -0.06 -4.36 0.00 0.00 0.01 0.00 0.00 42.46 38.04 3pcg s ILE 35 CO 0.00 -0.80 0.00 1.87 0.00 0.00 0.00 174.94 176.01 3pcg n TRP 36 N 6.83 0.00 -0.17 3.97 -0.00 -1.26 -4.54 117.44 122.27 3pcg n TRP 36 Ca 0.02 0.00 0.07 0.00 -0.00 0.00 0.00 57.50 57.59 3pcg n TRP 36 Cb 0.48 0.00 0.29 0.00 -0.00 0.00 0.00 31.31 32.08 3pcg n TRP 36 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 3pcg n ASN 37 N 0.00 3.92 -4.12 5.87 6.94 -0.46 -1.39 115.26 126.03 3pcg n ASN 37 Ca 0.00 -2.36 -0.38 0.00 -0.02 0.00 0.00 54.58 51.82 3pcg n ASN 37 Cb 0.00 -0.52 -0.08 0.00 -2.36 0.00 0.00 39.78 36.82 3pcg n ASN 37 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 3pcg s ARG 38 N -1.80 2.76 0.25 -3.83 3.52 -1.26 -0.49 118.95 118.09 3pcg s ARG 38 Ca 0.41 -2.61 0.04 0.00 -0.13 0.00 0.00 55.73 53.44 3pcg s ARG 38 Cb 0.26 -3.83 0.28 0.00 -1.56 0.00 0.00 34.95 30.11 3pcg s ARG 38 CO 0.20 -1.20 1.59 -0.07 -0.81 0.00 0.00 175.30 175.01 3pcg h LEU 39 N 6.99 0.32 -8.33 -0.88 4.07 -1.15 -3.45 115.31 112.88 3pcg h LEU 39 Ca 0.02 -0.17 -0.56 0.00 0.08 0.00 0.00 57.88 57.25 3pcg h LEU 39 Cb 0.95 -0.09 -0.30 0.00 1.08 0.00 0.00 40.66 42.30 3pcg h LEU 39 CO 0.73 0.80 -0.84 0.00 -1.08 0.00 0.00 178.44 178.05 3pcg s ALA 40 N -3.91 1.51 0.34 1.53 0.00 -1.18 -0.30 121.76 119.76 3pcg s ALA 40 Ca -0.05 -0.77 -0.16 0.00 0.00 0.00 0.00 51.96 50.98 3pcg s ALA 40 Cb 0.12 -0.40 -0.09 0.00 0.00 0.00 0.00 23.12 22.76 3pcg s ALA 40 CO 0.80 0.36 0.77 0.15 0.00 0.00 0.00 175.76 177.84 3pcg s LYS 41 N -0.38 4.03 0.50 0.00 1.02 0.67 -4.85 119.74 120.73 3pcg s LYS 41 Ca 0.06 0.73 0.36 0.00 0.02 0.00 0.00 55.97 57.14 3pcg s LYS 41 Cb -0.07 -2.39 1.51 0.00 -0.52 0.00 0.00 37.83 36.35 3pcg s LYS 41 CO -0.00 0.12 1.70 -1.35 -0.92 0.00 0.00 175.35 174.89 3pcg h PRO 42 N 2.15 0.08 -0.75 -1.68 0.11 -2.00 0.39 132.00 130.29 3pcg h PRO 42 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3pcg h PRO 42 Cb 1.18 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3pcg h PRO 42 CO 0.65 0.05 0.00 -0.40 -0.21 0.00 0.00 178.00 178.09 3pcg n ASP 43 N -4.30 2.55 -4.76 -2.05 5.68 -1.26 -4.90 116.55 107.50 3pcg n ASP 43 Ca 0.33 -2.29 -0.39 0.00 -0.50 0.00 0.00 54.79 51.94 3pcg n ASP 43 Cb 1.43 -0.51 -0.06 0.00 -1.14 0.00 0.00 41.12 40.84 3pcg n ASP 43 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3pcg s ALA 44 N -1.65 3.49 0.67 2.12 0.00 0.12 -5.05 121.76 121.46 3pcg s ALA 44 Ca 0.20 0.02 -0.16 0.00 0.00 0.00 0.00 51.96 52.01 3pcg s ALA 44 Cb 0.14 -2.74 0.01 0.00 0.00 0.00 0.00 23.12 20.53 3pcg s ALA 44 CO 0.07 0.16 1.19 -1.25 0.00 0.00 0.00 175.76 175.93 3pcg s PRO 45 N -0.15 2.55 0.00 0.00 0.04 -1.26 -4.87 135.00 131.31 3pcg s PRO 45 Ca 0.31 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.07 3pcg s PRO 45 Cb -0.18 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.47 3pcg s PRO 45 CO 0.17 -1.51 0.00 0.41 0.04 0.00 0.00 177.00 176.11 3pcg n GLY 46 N 0.28 1.55 3.64 0.56 0.00 -1.26 -4.61 105.19 105.35 3pcg n GLY 46 Ca 0.13 -2.10 -0.43 0.00 0.00 0.00 0.00 46.02 43.62 3pcg n GLY 46 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3pcg s GLU 47 N -1.75 4.10 0.08 1.61 2.02 -1.26 -4.95 118.70 118.56 3pcg s GLU 47 Ca 0.00 1.07 -0.31 0.00 0.02 0.00 0.00 54.97 55.75 3pcg s GLU 47 Cb 0.00 -3.71 -0.06 0.00 0.10 0.00 0.00 34.13 30.46 3pcg s GLU 47 CO 0.00 -0.79 1.23 -1.01 0.02 0.00 0.00 175.26 174.70 3pcg s HIS 48 N 3.42 3.41 0.06 1.61 3.76 -1.26 -1.49 115.29 124.80 3pcg s HIS 48 Ca 0.43 1.26 -0.00 0.00 -0.15 0.00 0.00 55.06 56.60 3pcg s HIS 48 Cb -0.13 -3.46 -0.04 0.00 1.11 0.00 0.00 32.58 30.06 3pcg s HIS 48 CO 0.12 -1.43 -0.04 0.96 -0.85 0.00 0.00 174.74 173.51 3pcg s ILE 49 N 0.95 0.32 -0.08 0.60 -4.36 -0.09 -4.69 121.20 113.85 3pcg s ILE 49 Ca 0.59 -1.83 0.02 0.00 -0.26 0.00 0.00 60.65 59.17 3pcg s ILE 49 Cb -0.31 -1.55 -0.02 0.00 1.25 0.00 0.00 42.46 41.83 3pcg s ILE 49 CO 0.30 -0.97 -0.13 -0.22 0.24 0.00 0.00 174.94 174.16 3pcg s LEU 50 N -2.94 2.80 0.01 0.37 2.96 -0.52 -1.67 118.68 119.70 3pcg s LEU 50 Ca 0.08 -0.22 0.06 0.00 -0.22 0.00 0.00 54.13 53.84 3pcg s LEU 50 Cb 0.07 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 45.14 3pcg s LEU 50 CO -0.09 0.28 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.28 3pcg s LEU 51 N -0.35 2.56 -0.04 -0.68 1.43 -0.17 -1.38 118.68 120.05 3pcg s LEU 51 Ca 0.04 -0.37 -0.24 0.00 -1.03 0.00 0.00 54.13 52.53 3pcg s LEU 51 Cb -0.12 -1.50 0.05 0.00 0.03 0.00 0.00 46.19 44.65 3pcg s LEU 51 CO 0.02 0.29 0.52 -1.48 0.23 0.00 0.00 176.35 175.94 3pcg s LEU 52 N -1.12 -0.01 0.12 1.79 -0.00 -0.91 -1.16 118.68 117.39 3pcg s LEU 52 Ca 0.13 0.46 -0.26 0.00 -0.00 0.00 0.00 54.13 54.47 3pcg s LEU 52 Cb -0.10 1.99 0.08 0.00 -0.00 0.00 0.00 46.19 48.15 3pcg s LEU 52 CO 0.03 -0.53 1.03 -0.83 -0.00 0.00 0.00 176.35 176.05 3pcg s GLY 53 N -1.21 -0.24 0.13 -3.48 0.00 -0.67 -1.38 107.32 100.47 3pcg s GLY 53 Ca -0.12 0.19 0.08 0.00 0.00 0.00 0.00 44.72 44.87 3pcg s GLY 53 CO 0.07 0.23 -0.20 1.20 0.00 0.00 0.00 173.10 174.40 3pcg s GLN 54 N -3.03 1.18 -0.10 2.90 -0.21 -1.26 -0.54 119.66 118.61 3pcg s GLN 54 Ca 0.13 -1.26 0.04 0.00 0.02 0.00 0.00 55.36 54.30 3pcg s GLN 54 Cb -0.00 -1.37 -0.00 0.00 1.00 0.00 0.00 33.01 32.64 3pcg s GLN 54 CO 0.01 0.30 -0.24 0.08 -2.12 0.00 0.00 175.29 173.33 3pcg s VAL 55 N -1.51 2.04 -0.04 1.09 1.01 -1.26 -1.35 120.40 120.38 3pcg s VAL 55 Ca 0.10 -1.01 0.04 0.00 0.00 0.00 0.00 61.98 61.11 3pcg s VAL 55 Cb -0.08 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 3pcg s VAL 55 CO 0.05 0.56 -0.16 -0.31 0.00 0.00 0.00 175.10 175.24 3pcg s TYR 56 N 0.31 2.64 0.81 5.22 2.02 0.61 0.57 117.35 129.54 3pcg s TYR 56 Ca -0.18 -0.20 -0.06 0.00 -0.37 0.00 0.00 57.07 56.26 3pcg s TYR 56 Cb -0.18 -1.61 0.16 0.00 -0.40 0.00 0.00 41.96 39.93 3pcg s TYR 56 CO 0.08 0.15 1.12 0.16 -1.57 0.00 0.00 175.55 175.49 3pcg s ASP 57 N -0.73 3.88 0.00 2.29 1.47 0.13 -1.00 116.67 122.71 3pcg s ASP 57 Ca 0.11 -0.16 0.06 0.00 1.18 0.00 0.00 52.55 53.74 3pcg s ASP 57 Cb -0.10 -0.08 0.27 0.00 -0.34 0.00 0.00 42.92 42.66 3pcg s ASP 57 CO 0.00 -2.19 1.18 0.61 0.68 0.00 0.00 175.17 175.45 3pcg n GLY 58 N -3.17 -0.68 0.83 2.12 0.00 -1.26 -1.64 105.19 101.39 3pcg n GLY 58 Ca 0.15 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.26 3pcg n GLY 58 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3pcg n ASN 59 N -1.47 2.74 0.00 1.61 3.02 -1.26 -4.79 115.26 115.11 3pcg n ASN 59 Ca 0.02 -1.87 0.00 0.00 -0.03 0.00 0.00 54.58 52.70 3pcg n ASN 59 Cb 0.07 0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 3pcg n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pcg n GLY 60 N 1.20 0.45 3.89 7.41 0.00 -0.65 -5.04 105.19 112.44 3pcg n GLY 60 Ca 0.12 -0.97 -0.34 0.00 0.00 0.00 0.00 46.02 44.83 3pcg n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3pcg s HIS 61 N -2.00 3.56 0.40 1.61 3.76 -1.25 -4.83 115.29 116.53 3pcg s HIS 61 Ca 0.00 0.49 -0.27 0.00 -0.15 0.00 0.00 55.06 55.13 3pcg s HIS 61 Cb 0.00 -1.93 -0.10 0.00 1.11 0.00 0.00 32.58 31.66 3pcg s HIS 61 CO 0.00 0.61 1.40 -0.51 -0.85 0.00 0.00 174.74 175.39 3pcg s LEU 62 N -1.91 4.26 -0.52 0.89 1.43 -1.26 -0.70 118.68 120.87 3pcg s LEU 62 Ca 0.29 2.87 -0.17 0.00 -1.03 0.00 0.00 54.13 56.09 3pcg s LEU 62 Cb -0.13 -3.79 0.09 0.00 0.03 0.00 0.00 46.19 42.40 3pcg s LEU 62 CO 0.18 -0.90 0.52 -0.69 0.23 0.00 0.00 176.35 175.69 3pcg s VAL 63 N -1.18 5.10 -2.08 -1.59 1.01 0.19 -4.82 120.40 117.05 3pcg s VAL 63 Ca 0.55 -1.11 0.28 0.00 0.00 0.00 0.00 61.98 61.70 3pcg s VAL 63 Cb -0.43 -4.29 0.43 0.00 0.00 0.00 0.00 36.38 32.10 3pcg s VAL 63 CO 0.57 -0.80 1.69 0.54 0.00 0.00 0.00 175.10 177.10 3pcg n ARG 64 N 5.56 1.19 -0.49 2.72 1.74 -1.26 -4.02 116.66 122.10 3pcg n ARG 64 Ca -0.12 -0.66 0.07 0.00 -0.77 0.00 0.00 57.85 56.38 3pcg n ARG 64 Cb 0.42 -1.49 0.19 0.00 -1.02 0.00 0.00 32.46 30.56 3pcg n ARG 64 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3pcg n ASP 65 N -0.33 1.84 -4.84 0.55 5.68 -1.26 -3.94 116.55 114.24 3pcg n ASP 65 Ca 0.16 -3.64 -0.32 0.00 -0.50 0.00 0.00 54.79 50.49 3pcg n ASP 65 Cb 0.34 -0.50 -0.02 0.00 -1.14 0.00 0.00 41.12 39.80 3pcg n ASP 65 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3pcg s SER 66 N -3.10 6.47 -0.05 -1.12 1.04 -1.26 -4.58 113.70 111.11 3pcg s SER 66 Ca 0.36 1.58 0.02 0.00 0.48 0.00 0.00 55.95 58.39 3pcg s SER 66 Cb 0.34 -2.51 0.02 0.00 0.10 0.00 0.00 66.02 63.97 3pcg s SER 66 CO -0.05 -0.69 -0.08 0.12 0.98 0.00 0.00 173.24 173.52 3pcg s PHE 67 N -2.67 1.01 0.03 5.02 5.36 0.11 -2.60 117.98 124.24 3pcg s PHE 67 Ca 0.59 -0.32 0.05 0.00 -0.96 0.00 0.00 56.93 56.29 3pcg s PHE 67 Cb -0.11 -0.80 -0.02 0.00 -0.34 0.00 0.00 43.02 41.75 3pcg s PHE 67 CO 0.35 -0.21 -0.15 -0.51 -1.46 0.00 0.00 175.22 173.23 3pcg s LEU 68 N 0.76 2.14 -0.02 6.12 1.02 -0.17 -0.95 118.68 127.58 3pcg s LEU 68 Ca -0.12 -0.42 0.07 0.00 0.02 0.00 0.00 54.13 53.67 3pcg s LEU 68 Cb -0.15 -0.71 -0.02 0.00 0.02 0.00 0.00 46.19 45.34 3pcg s LEU 68 CO 0.02 0.09 -0.23 -1.61 0.02 0.00 0.00 176.35 174.64 3pcg s GLU 69 N -0.96 1.87 0.10 1.70 2.02 -0.58 -1.46 118.70 121.39 3pcg s GLU 69 Ca 0.04 -0.84 0.07 0.00 0.02 0.00 0.00 54.97 54.26 3pcg s GLU 69 Cb -0.07 -1.81 -0.03 0.00 0.10 0.00 0.00 34.13 32.31 3pcg s GLU 69 CO 0.01 0.50 -0.19 0.14 0.02 0.00 0.00 175.26 175.74 3pcg s VAL 70 N -0.55 1.57 -0.02 2.63 -7.23 -0.52 -1.22 120.40 115.05 3pcg s VAL 70 Ca 0.09 -1.54 -0.00 0.00 -1.81 0.00 0.00 61.98 58.72 3pcg s VAL 70 Cb -0.09 -1.48 0.03 0.00 0.56 0.00 0.00 36.38 35.40 3pcg s VAL 70 CO -0.01 -0.14 0.03 0.86 -0.31 0.00 0.00 175.10 175.53 3pcg s TRP 71 N -1.32 0.11 0.07 2.82 -0.11 0.43 -2.65 118.94 118.29 3pcg s TRP 71 Ca 0.06 0.11 -0.19 0.00 1.22 0.00 0.00 56.10 57.29 3pcg s TRP 71 Cb -0.09 -0.31 0.04 0.00 -1.50 0.00 0.00 33.47 31.61 3pcg s TRP 71 CO 0.04 -0.11 0.45 1.14 -4.62 0.00 0.00 176.95 173.85 3pcg s GLN 72 N 1.19 1.01 0.70 5.86 -2.07 -0.40 -0.24 119.66 125.71 3pcg s GLN 72 Ca -0.08 -0.41 -0.11 0.00 -1.82 0.00 0.00 55.36 52.94 3pcg s GLN 72 Cb -0.13 0.45 0.01 0.00 -1.09 0.00 0.00 33.01 32.25 3pcg s GLN 72 CO -0.03 -0.37 1.07 0.00 -1.32 0.00 0.00 175.29 174.64 3pcg s ALA 73 N -2.85 2.74 1.01 2.60 0.00 -1.26 -4.51 121.76 119.49 3pcg s ALA 73 Ca -0.03 -0.12 -0.11 0.00 0.00 0.00 0.00 51.96 51.69 3pcg s ALA 73 Cb -0.00 -3.10 0.16 0.00 0.00 0.00 0.00 23.12 20.17 3pcg s ALA 73 CO -0.05 -1.18 0.88 -0.40 0.00 0.00 0.00 175.76 175.01 3pcg n ASP 74 N -3.07 -0.07 0.20 0.00 5.68 0.15 -4.37 116.55 115.07 3pcg n ASP 74 Ca 0.07 -1.29 0.13 0.00 -0.50 0.00 0.00 54.79 53.19 3pcg n ASP 74 Cb 0.55 -0.68 0.72 0.00 -1.14 0.00 0.00 41.12 40.57 3pcg n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3pcg h ALA 75 N -1.91 2.01 -0.04 2.12 0.00 -1.82 0.33 119.26 119.96 3pcg h ALA 75 Ca -0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3pcg h ALA 75 Cb 0.80 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3pcg h ALA 75 CO 0.20 -0.18 0.00 0.09 0.00 0.00 0.00 179.25 179.36 3pcg n ASN 76 N -4.29 0.50 -0.46 0.00 3.02 -1.26 -3.39 115.26 109.37 3pcg n ASN 76 Ca 0.00 -1.40 -0.04 0.00 -0.03 0.00 0.00 54.58 53.11 3pcg n ASN 76 Cb 0.23 -0.02 -0.00 0.00 -0.61 0.00 0.00 39.78 39.38 3pcg n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pcg n GLY 77 N 0.94 0.27 3.30 7.41 0.00 -0.16 -4.81 105.19 112.14 3pcg n GLY 77 Ca 0.17 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 3pcg n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3pcg s GLU 78 N -3.93 2.51 -0.30 1.61 2.02 -1.26 -4.68 118.70 114.68 3pcg s GLU 78 Ca 0.00 -0.88 -0.23 0.00 0.02 0.00 0.00 54.97 53.88 3pcg s GLU 78 Cb 0.00 -2.18 -0.00 0.00 0.10 0.00 0.00 34.13 32.05 3pcg s GLU 78 CO 0.00 0.42 0.76 0.71 0.02 0.00 0.00 175.26 177.17 3pcg s TYR 79 N -0.26 3.22 -0.86 1.61 2.02 -1.26 0.30 117.35 122.12 3pcg s TYR 79 Ca -0.00 0.81 -0.17 0.00 -0.37 0.00 0.00 57.07 57.34 3pcg s TYR 79 Cb -0.13 -3.14 0.17 0.00 -0.40 0.00 0.00 41.96 38.46 3pcg s TYR 79 CO 0.03 -0.52 0.93 -0.65 -1.57 0.00 0.00 175.55 173.77 3pcg s GLN 80 N 2.86 3.56 0.41 -0.62 -1.52 -1.26 -4.91 119.66 118.19 3pcg s GLN 80 Ca 0.31 -2.05 0.22 0.00 -1.95 0.00 0.00 55.36 51.89 3pcg s GLN 80 Cb -0.14 -4.65 0.33 0.00 -0.22 0.00 0.00 33.01 28.33 3pcg s GLN 80 CO 0.12 -1.54 1.59 0.38 -0.25 0.00 0.00 175.29 175.59 3pcg h ASP 81 N 8.38 0.00 -1.60 5.90 2.03 -1.98 -3.27 116.42 125.88 3pcg h ASP 81 Ca 0.10 0.00 -0.62 0.00 -0.73 0.00 0.00 57.03 55.78 3pcg h ASP 81 Cb 1.04 0.00 -0.12 0.00 -0.83 0.00 0.00 39.33 39.42 3pcg h ASP 81 CO 0.95 0.11 1.26 0.00 -1.03 0.00 0.00 179.24 180.52 3pcg s ALA 82 N -3.18 2.89 0.08 4.15 0.00 -1.26 -4.97 121.76 119.47 3pcg s ALA 82 Ca 0.06 -2.30 -0.31 0.00 0.00 0.00 0.00 51.96 49.42 3pcg s ALA 82 Cb 0.06 -4.36 -0.08 0.00 0.00 0.00 0.00 23.12 18.74 3pcg s ALA 82 CO 0.68 -3.40 1.53 -0.47 0.00 0.00 0.00 175.76 174.10 3pcg s TYR 83 N 4.43 2.80 -0.28 0.00 5.04 -1.26 -5.01 117.35 123.07 3pcg s TYR 83 Ca 0.41 0.61 -0.16 0.00 -2.44 0.00 0.00 57.07 55.49 3pcg s TYR 83 Cb -0.03 -3.84 0.09 0.00 0.35 0.00 0.00 41.96 38.54 3pcg s TYR 83 CO -0.07 -3.18 0.74 1.21 -1.34 0.00 0.00 175.55 172.91 3pcg s ASN 84 N 1.79 -0.88 0.59 4.32 3.84 -1.26 -5.04 114.94 118.30 3pcg s ASN 84 Ca 0.69 1.40 0.32 0.00 0.21 0.00 0.00 52.86 55.48 3pcg s ASN 84 Cb -0.38 1.39 1.83 0.00 -0.55 0.00 0.00 41.25 43.53 3pcg s ASN 84 CO 0.30 -0.22 2.23 -0.07 -2.79 0.00 0.00 177.10 176.55 3pcg h LEU 85 N 6.87 0.00 -0.76 3.21 3.38 -1.97 -1.44 115.31 124.60 3pcg h LEU 85 Ca -0.29 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.58 3pcg h LEU 85 Cb 1.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 3pcg h LEU 85 CO 0.16 0.03 -0.46 -0.33 0.09 0.00 0.00 178.44 177.94 3pcg h GLU 86 N 0.00 0.00 -6.84 1.13 5.08 -2.00 -3.46 114.58 108.49 3pcg h GLU 86 Ca -0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 3pcg h GLU 86 Cb 0.09 0.00 0.14 0.00 0.50 0.00 0.00 28.75 29.48 3pcg h GLU 86 CO 0.00 0.46 0.35 0.09 -1.00 0.00 0.00 179.01 178.90 3pcg n ASN 87 N -3.53 1.81 0.22 1.42 3.02 -0.54 -4.90 115.26 112.75 3pcg n ASN 87 Ca -0.00 0.97 0.11 0.00 -0.03 0.00 0.00 54.58 55.63 3pcg n ASN 87 Cb 0.57 -1.46 0.23 0.00 -0.61 0.00 0.00 39.78 38.52 3pcg n ASN 87 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3pcg h ALA 88 N 1.35 0.95 -2.67 5.41 0.00 -1.89 -3.43 119.26 118.98 3pcg h ALA 88 Ca -0.48 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.23 3pcg h ALA 88 Cb 1.33 -0.01 -0.27 0.00 0.00 0.00 0.00 17.79 18.83 3pcg h ALA 88 CO 0.56 0.10 -0.33 0.12 0.00 0.00 0.00 179.25 179.70 3pcg s PHE 89 N -3.26 -0.59 -0.07 0.00 5.36 -1.26 -0.23 117.98 117.93 3pcg s PHE 89 Ca 0.05 1.25 0.04 0.00 -0.96 0.00 0.00 56.93 57.32 3pcg s PHE 89 Cb 0.06 0.24 -0.02 0.00 -0.34 0.00 0.00 43.02 42.96 3pcg s PHE 89 CO 0.66 -0.35 -0.19 -0.80 -1.46 0.00 0.00 175.22 173.08 3pcg s ASN 90 N 1.55 3.56 0.32 6.13 0.01 0.59 -4.99 114.94 122.12 3pcg s ASN 90 Ca -0.08 -0.38 0.26 0.00 -0.71 0.00 0.00 52.86 51.95 3pcg s ASN 90 Cb -0.09 -1.01 0.77 0.00 0.41 0.00 0.00 41.25 41.33 3pcg s ASN 90 CO -0.12 0.26 1.74 0.28 -1.51 0.00 0.00 177.10 177.75 3pcg h SER 91 N 5.99 0.00 -3.65 -1.22 0.02 -1.79 -3.44 113.55 109.46 3pcg h SER 91 Ca -0.35 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 59.93 3pcg h SER 91 Cb 1.18 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.54 3pcg h SER 91 CO 0.50 0.00 -0.71 0.12 -1.14 0.00 0.00 176.83 175.60 3pcg s PHE 92 N -3.23 2.86 0.28 3.45 5.36 -1.26 -1.27 117.98 124.17 3pcg s PHE 92 Ca 0.07 -0.06 -0.20 0.00 -0.96 0.00 0.00 56.93 55.78 3pcg s PHE 92 Cb 0.09 -1.60 0.03 0.00 -0.34 0.00 0.00 43.02 41.21 3pcg s PHE 92 CO 0.58 0.36 0.76 0.20 -1.46 0.00 0.00 175.22 175.66 3pcg s GLY 93 N -1.39 -0.02 0.03 13.12 0.00 -1.08 -4.82 107.32 113.17 3pcg s GLY 93 Ca 0.17 -0.35 0.01 0.00 0.00 0.00 0.00 44.72 44.55 3pcg s GLY 93 CO 0.07 -0.07 -0.05 0.50 0.00 0.00 0.00 173.10 173.56 3pcg s ARG 94 N -3.53 0.41 0.26 2.90 0.52 -0.48 -1.44 118.95 117.59 3pcg s ARG 94 Ca 0.12 -0.70 -0.15 0.00 -0.52 0.00 0.00 55.73 54.47 3pcg s ARG 94 Cb -0.05 -0.02 0.00 0.00 0.52 0.00 0.00 34.95 35.40 3pcg s ARG 94 CO 0.07 -0.02 0.56 -0.08 0.02 0.00 0.00 175.30 175.85 3pcg s THR 95 N -1.61 0.00 0.07 0.02 -1.32 -0.54 -1.35 115.64 110.92 3pcg s THR 95 Ca -0.12 -1.28 -0.19 0.00 -1.21 0.00 0.00 61.69 58.89 3pcg s THR 95 Cb -0.09 -2.14 0.04 0.00 -1.51 0.00 0.00 72.50 68.81 3pcg s THR 95 CO -0.01 -0.00 0.45 0.00 -2.21 0.00 0.00 174.62 172.84 3pcg s ALA 96 N -3.99 -1.10 0.06 11.08 0.00 -1.26 -1.00 121.76 125.56 3pcg s ALA 96 Ca 0.19 0.28 -0.22 0.00 0.00 0.00 0.00 51.96 52.22 3pcg s ALA 96 Cb -0.02 0.49 -0.06 0.00 0.00 0.00 0.00 23.12 23.52 3pcg s ALA 96 CO 0.08 -0.54 0.65 0.95 0.00 0.00 0.00 175.76 176.90 3pcg s THR 97 N -2.93 4.72 0.27 0.00 -4.23 -1.07 -4.28 115.64 108.13 3pcg s THR 97 Ca -0.03 1.38 -0.30 0.00 -1.18 0.00 0.00 61.69 61.57 3pcg s THR 97 Cb 0.00 -3.99 -0.10 0.00 1.34 0.00 0.00 72.50 69.75 3pcg s THR 97 CO -0.06 0.48 1.43 0.42 -0.54 0.00 0.00 174.62 176.35 3pcg s THR 98 N -0.66 2.60 0.44 3.99 -4.23 -1.13 -4.57 115.64 112.07 3pcg s THR 98 Ca 0.32 0.52 0.38 0.00 -1.18 0.00 0.00 61.69 61.73 3pcg s THR 98 Cb -0.20 -3.33 0.40 0.00 1.34 0.00 0.00 72.50 70.71 3pcg s THR 98 CO 0.20 0.09 2.19 -0.26 -0.54 0.00 0.00 174.62 176.31 3pcg h PHE 99 N 4.65 0.00 0.00 3.99 0.04 -1.95 0.96 116.94 124.63 3pcg h PHE 99 Ca -0.47 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.30 3pcg h PHE 99 Cb 1.22 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.37 3pcg h PHE 99 CO 0.59 0.02 0.00 -0.40 -0.60 0.00 0.00 178.31 177.92 3pcg n ASP 100 N -3.20 0.00 0.18 2.17 5.75 -1.26 -4.65 116.55 115.54 3pcg n ASP 100 Ca -0.02 0.00 0.03 0.00 -0.01 0.00 0.00 54.79 54.79 3pcg n ASP 100 Cb 0.18 0.00 0.38 0.00 -1.03 0.00 0.00 41.12 40.65 3pcg n ASP 100 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3pcg h ALA 101 N -2.00 1.44 -0.84 2.12 0.00 -1.99 -3.47 119.26 114.53 3pcg h ALA 101 Ca 0.00 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.48 3pcg h ALA 101 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3pcg h ALA 101 CO 0.00 0.42 -0.16 0.41 0.00 0.00 0.00 179.25 179.92 3pcg n GLY 102 N -0.58 0.20 3.47 0.00 0.00 0.33 -4.94 105.19 103.67 3pcg n GLY 102 Ca -0.02 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 45.04 3pcg n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pcg s GLU 103 N -4.10 2.52 0.09 1.61 2.12 -1.26 -4.14 118.70 115.54 3pcg s GLU 103 Ca 0.00 -0.70 0.05 0.00 0.36 0.00 0.00 54.97 54.69 3pcg s GLU 103 Cb 0.00 -2.38 -0.04 0.00 0.26 0.00 0.00 34.13 31.97 3pcg s GLU 103 CO 0.00 0.61 -0.03 1.67 -0.54 0.00 0.00 175.26 176.98 3pcg s TRP 104 N -0.71 2.92 0.08 5.30 1.48 0.30 -2.86 118.94 125.45 3pcg s TRP 104 Ca 0.11 -0.06 0.01 0.00 -1.06 0.00 0.00 56.10 55.10 3pcg s TRP 104 Cb -0.11 -1.51 -0.04 0.00 -1.16 0.00 0.00 33.47 30.66 3pcg s TRP 104 CO 0.01 0.46 -0.06 0.95 -4.06 0.00 0.00 176.95 174.25 3pcg s THR 105 N -1.28 0.57 -0.11 0.66 -4.23 -1.26 -1.67 115.64 108.33 3pcg s THR 105 Ca 0.24 -1.71 -0.14 0.00 -1.18 0.00 0.00 61.69 58.90 3pcg s THR 105 Cb -0.12 -1.40 0.03 0.00 1.34 0.00 0.00 72.50 72.36 3pcg s THR 105 CO 0.17 -0.78 0.36 -0.22 -0.54 0.00 0.00 174.62 173.61 3pcg s LEU 106 N -2.68 0.62 -0.28 4.79 2.96 -0.31 -4.79 118.68 118.99 3pcg s LEU 106 Ca 0.06 0.58 -0.01 0.00 -0.22 0.00 0.00 54.13 54.54 3pcg s LEU 106 Cb 0.02 1.30 0.04 0.00 0.50 0.00 0.00 46.19 48.05 3pcg s LEU 106 CO -0.04 -0.22 -0.03 -1.00 -1.32 0.00 0.00 176.35 173.73 3pcg s HIS 107 N -0.21 3.20 0.00 5.38 3.76 0.36 -1.00 115.29 126.77 3pcg s HIS 107 Ca -0.04 -1.82 0.00 0.00 -0.15 0.00 0.00 55.06 53.05 3pcg s HIS 107 Cb -0.03 -2.07 0.00 0.00 1.11 0.00 0.00 32.58 31.59 3pcg s HIS 107 CO 0.02 -0.79 0.00 -2.37 -0.85 0.00 0.00 174.74 170.75 3pcg n THR 108 N 4.62 0.00 -4.26 1.30 5.66 -0.67 -0.61 114.28 120.31 3pcg n THR 108 Ca -0.14 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.63 3pcg n THR 108 Cb 0.44 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.10 3pcg n THR 108 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 3pcg s VAL 109 N -1.68 1.58 0.03 1.08 -7.23 -1.26 -0.91 120.40 112.01 3pcg s VAL 109 Ca 0.00 -1.53 -0.30 0.00 -1.81 0.00 0.00 61.98 58.34 3pcg s VAL 109 Cb 0.00 -1.48 -0.07 0.00 0.56 0.00 0.00 36.38 35.40 3pcg s VAL 109 CO 0.00 -0.12 1.51 -0.75 -0.31 0.00 0.00 175.10 175.42 3pcg s LYS 110 N -1.96 4.25 0.54 4.82 2.20 -0.55 -4.90 119.74 124.13 3pcg s LYS 110 Ca 0.05 2.12 -0.19 0.00 -0.36 0.00 0.00 55.97 57.60 3pcg s LYS 110 Cb -0.10 -3.57 -0.06 0.00 -1.51 0.00 0.00 37.83 32.59 3pcg s LYS 110 CO 0.04 -0.64 1.08 -1.25 -0.36 0.00 0.00 175.35 174.22 3pcg s PRO 111 N 2.45 3.50 0.82 4.03 0.04 -1.26 -4.13 135.00 140.44 3pcg s PRO 111 Ca 0.68 1.41 -0.12 0.00 0.04 0.00 0.00 61.00 63.01 3pcg s PRO 111 Cb -0.35 -2.05 0.08 0.00 0.04 0.00 0.00 34.50 32.23 3pcg s PRO 111 CO 0.29 -0.69 1.17 0.20 0.04 0.00 0.00 177.00 178.01 3pcg s GLY 112 N -2.10 1.59 0.31 0.56 0.00 0.99 -4.73 107.32 103.94 3pcg s GLY 112 Ca 0.68 -0.61 -0.27 0.00 0.00 0.00 0.00 44.72 44.52 3pcg s GLY 112 CO 0.27 -0.12 0.98 0.14 0.00 0.00 0.00 173.10 174.37 3pcg s VAL 113 N -3.52 4.01 0.08 1.40 1.01 -1.26 -4.42 120.40 117.69 3pcg s VAL 113 Ca 0.62 1.77 0.05 0.00 0.00 0.00 0.00 61.98 64.42 3pcg s VAL 113 Cb -0.12 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 3pcg s VAL 113 CO 0.50 0.23 -0.13 0.68 0.00 0.00 0.00 175.10 176.38 3pcg s VAL 114 N -1.46 1.07 0.23 2.92 -7.23 -1.26 -4.40 120.40 110.27 3pcg s VAL 114 Ca 0.48 -1.37 -0.05 0.00 -1.81 0.00 0.00 61.98 59.23 3pcg s VAL 114 Cb -0.23 -1.12 -0.06 0.00 0.56 0.00 0.00 36.38 35.54 3pcg s VAL 114 CO 0.28 -0.30 0.49 0.20 -0.31 0.00 0.00 175.10 175.47 3pcg s ASN 115 N -1.89 6.48 0.96 4.85 0.01 -1.26 -0.37 114.94 123.72 3pcg s ASN 115 Ca -0.01 0.68 -0.12 0.00 -0.71 0.00 0.00 52.86 52.70 3pcg s ASN 115 Cb -0.09 -2.13 0.18 0.00 0.41 0.00 0.00 41.25 39.63 3pcg s ASN 115 CO 0.02 -0.10 1.09 -0.46 -1.51 0.00 0.00 177.10 176.14 3pcg n ASN 116 N -0.52 0.21 -0.33 -1.22 6.94 0.16 -4.88 115.26 115.62 3pcg n ASN 116 Ca -0.02 -1.47 0.03 0.00 -0.02 0.00 0.00 54.58 53.11 3pcg n ASN 116 Cb 0.53 -0.82 0.21 0.00 -2.36 0.00 0.00 39.78 37.34 3pcg n ASN 116 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3pcg h ALA 117 N -1.68 1.47 0.00 -2.53 0.00 -1.99 -1.78 119.26 112.75 3pcg h ALA 117 Ca -0.35 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3pcg h ALA 117 Cb 1.00 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3pcg h ALA 117 CO 0.26 0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.90 3pcg n ALA 118 N -2.38 2.46 -0.94 0.00 0.00 -1.26 -4.87 120.51 113.51 3pcg n ALA 118 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3pcg n ALA 118 Cb 0.19 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.64 3pcg n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3pcg n GLY 119 N 0.21 0.43 3.73 0.00 0.00 -0.67 -5.01 105.19 103.89 3pcg n GLY 119 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3pcg n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pcg s VAL 120 N -2.08 5.06 0.40 1.61 1.01 -1.26 -4.74 120.40 120.40 3pcg s VAL 120 Ca 0.00 1.20 -0.26 0.00 0.00 0.00 0.00 61.98 62.93 3pcg s VAL 120 Cb 0.00 -3.93 -0.09 0.00 0.00 0.00 0.00 36.38 32.37 3pcg s VAL 120 CO 0.00 0.33 1.24 -2.16 0.00 0.00 0.00 175.10 174.51 3pcg s PRO 121 N 0.44 4.03 0.07 2.72 0.04 -1.26 0.36 135.00 141.39 3pcg s PRO 121 Ca 0.31 2.01 0.02 0.00 0.04 0.00 0.00 61.00 63.39 3pcg s PRO 121 Cb -0.17 -2.74 -0.04 0.00 0.04 0.00 0.00 34.50 31.59 3pcg s PRO 121 CO 0.15 -0.40 0.09 -1.64 0.04 0.00 0.00 177.00 175.24 3pcg s MET 122 N -2.23 2.95 0.87 4.56 -1.94 0.50 -4.48 119.30 119.53 3pcg s MET 122 Ca 0.56 -0.64 -0.10 0.00 -1.71 0.00 0.00 55.69 53.80 3pcg s MET 122 Cb -0.35 -2.77 0.12 0.00 2.01 0.00 0.00 34.83 33.84 3pcg s MET 122 CO 0.44 0.58 1.13 0.00 -0.01 0.00 0.00 175.02 177.16 3pcg s ALA 123 N -1.38 1.70 0.31 3.03 0.00 -1.26 -4.08 121.76 120.09 3pcg s ALA 123 Ca 0.29 0.50 -0.30 0.00 0.00 0.00 0.00 51.96 52.45 3pcg s ALA 123 Cb -0.12 -3.40 -0.12 0.00 0.00 0.00 0.00 23.12 19.48 3pcg s ALA 123 CO 0.22 -2.47 1.53 -2.30 0.00 0.00 0.00 175.76 172.73 3pcg n PRO 124 N -4.03 2.59 -3.63 0.00 -0.02 -1.26 -4.80 135.00 123.84 3pcg n PRO 124 Ca 0.11 0.92 -0.10 0.00 -2.02 0.00 0.00 63.50 62.40 3pcg n PRO 124 Cb 0.52 -2.66 -0.03 0.00 -0.02 0.00 0.00 33.50 31.31 3pcg n PRO 124 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3pcg s HIS 125 N -0.36 -0.26 -0.10 6.00 -3.43 -1.26 -4.37 115.29 111.51 3pcg s HIS 125 Ca 0.61 -0.05 0.04 0.00 -0.80 0.00 0.00 55.06 54.86 3pcg s HIS 125 Cb -0.51 0.42 -0.00 0.00 -1.43 0.00 0.00 32.58 31.05 3pcg s HIS 125 CO 0.53 -0.86 -0.23 0.42 -2.00 0.00 0.00 174.74 172.60 3pcg s ILE 126 N -3.82 2.12 -0.02 -5.38 1.01 -0.65 -4.59 121.20 109.85 3pcg s ILE 126 Ca 0.05 -1.00 -0.24 0.00 0.00 0.00 0.00 60.65 59.47 3pcg s ILE 126 Cb -0.00 -1.81 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 3pcg s ILE 126 CO -0.07 0.56 0.73 0.20 0.00 0.00 0.00 174.94 176.35 3pcg s ASN 127 N 0.37 7.07 0.00 3.58 0.01 0.67 -0.78 114.94 125.87 3pcg s ASN 127 Ca -0.18 1.29 0.05 0.00 -0.71 0.00 0.00 52.86 53.31 3pcg s ASN 127 Cb -0.18 -2.43 -0.01 0.00 0.41 0.00 0.00 41.25 39.03 3pcg s ASN 127 CO 0.08 -0.07 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.82 3pcg s ILE 128 N 0.47 1.26 -0.06 0.60 1.01 0.47 -0.43 121.20 124.52 3pcg s ILE 128 Ca 0.38 -0.77 0.04 0.00 0.00 0.00 0.00 60.65 60.30 3pcg s ILE 128 Cb -0.19 -1.07 -0.00 0.00 0.01 0.00 0.00 42.46 41.21 3pcg s ILE 128 CO 0.20 0.28 -0.20 -0.44 0.00 0.00 0.00 174.94 174.78 3pcg s SER 129 N -0.57 2.59 -0.07 3.58 0.01 -0.36 -0.54 113.70 118.35 3pcg s SER 129 Ca 0.05 -0.44 0.04 0.00 1.31 0.00 0.00 55.95 56.92 3pcg s SER 129 Cb -0.07 -0.90 -0.00 0.00 0.21 0.00 0.00 66.02 65.27 3pcg s SER 129 CO -0.00 0.16 -0.20 -0.22 0.41 0.00 0.00 173.24 173.39 3pcg s LEU 130 N 0.14 1.96 -0.01 2.44 2.96 0.20 -1.53 118.68 124.84 3pcg s LEU 130 Ca -0.09 -0.45 0.05 0.00 -0.22 0.00 0.00 54.13 53.42 3pcg s LEU 130 Cb -0.14 -1.18 -0.01 0.00 0.50 0.00 0.00 46.19 45.36 3pcg s LEU 130 CO 0.04 0.15 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.72 3pcg s PHE 131 N 0.20 1.34 -0.09 5.38 0.40 -0.12 -1.55 117.98 123.55 3pcg s PHE 131 Ca -0.11 -0.26 -0.32 0.00 -0.60 0.00 0.00 56.93 55.65 3pcg s PHE 131 Cb -0.15 -0.87 0.12 0.00 0.51 0.00 0.00 43.02 42.63 3pcg s PHE 131 CO 0.05 -0.02 1.04 0.00 0.70 0.00 0.00 175.22 176.99 3pcg s ALA 132 N -0.34 -1.94 0.48 5.36 0.00 -1.26 -0.71 121.76 123.35 3pcg s ALA 132 Ca 0.06 1.26 -0.24 0.00 0.00 0.00 0.00 51.96 53.03 3pcg s ALA 132 Cb -0.06 0.18 -0.07 0.00 0.00 0.00 0.00 23.12 23.17 3pcg s ALA 132 CO -0.01 -0.66 1.42 -0.98 0.00 0.00 0.00 175.76 175.54 3pcg s ARG 133 N -2.80 3.50 0.00 0.00 1.70 -1.25 -1.26 118.95 118.84 3pcg s ARG 133 Ca 0.07 2.39 0.00 0.00 -0.47 0.00 0.00 55.73 57.72 3pcg s ARG 133 Cb -0.01 -2.53 0.00 0.00 -0.57 0.00 0.00 34.95 31.84 3pcg s ARG 133 CO -0.07 -0.96 0.00 0.41 -1.08 0.00 0.00 175.30 173.60 3pcg n GLY 134 N 0.62 2.80 3.42 3.88 0.00 -1.26 -4.95 105.19 109.69 3pcg n GLY 134 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 3pcg n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3pcg s ILE 135 N -2.36 4.57 0.12 -0.61 1.01 -0.39 -4.99 121.20 118.55 3pcg s ILE 135 Ca 0.00 -0.57 -0.09 0.00 0.00 0.00 0.00 60.65 59.99 3pcg s ILE 135 Cb 0.00 -3.40 -0.16 0.00 0.01 0.00 0.00 42.46 38.91 3pcg s ILE 135 CO 0.00 -0.03 1.32 0.78 0.00 0.00 0.00 174.94 177.01 3pcg h ASN 136 N 8.37 0.79 -3.57 3.58 2.35 -1.91 -3.33 115.58 121.86 3pcg h ASN 136 Ca -0.30 -0.55 -0.32 0.00 -0.55 0.00 0.00 56.30 54.59 3pcg h ASN 136 Cb 1.13 -0.23 -0.33 0.00 0.05 0.00 0.00 38.32 38.94 3pcg h ASN 136 CO 0.63 1.33 -0.74 -0.51 -1.65 0.00 0.00 177.43 176.49 3pcg s ILE 137 N -3.60 0.13 0.57 2.81 2.07 -1.26 -2.95 121.20 118.98 3pcg s ILE 137 Ca -0.09 0.07 -0.20 0.00 -1.41 0.00 0.00 60.65 59.02 3pcg s ILE 137 Cb 0.09 -0.21 -0.05 0.00 0.13 0.00 0.00 42.46 42.42 3pcg s ILE 137 CO 0.89 0.11 1.12 0.00 -1.91 0.00 0.00 174.94 175.15 3pcg n HIS 138 N 3.89 1.43 -3.87 3.50 1.44 -1.26 -4.99 115.22 115.34 3pcg n HIS 138 Ca -0.24 0.45 -0.37 0.00 -2.01 0.00 0.00 57.72 55.55 3pcg n HIS 138 Cb 0.52 -2.23 -0.06 0.00 0.12 0.00 0.00 29.99 28.34 3pcg n HIS 138 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3pcg s LEU 139 N -2.54 4.35 -0.13 2.39 1.43 -0.59 -4.89 118.68 118.69 3pcg s LEU 139 Ca 0.74 0.44 -0.05 0.00 -1.03 0.00 0.00 54.13 54.22 3pcg s LEU 139 Cb -0.43 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.69 3pcg s LEU 139 CO 0.48 0.38 0.06 -1.00 0.23 0.00 0.00 176.35 176.51 3pcg s HIS 140 N -0.87 3.32 0.30 0.29 3.76 -1.26 -0.62 115.29 120.20 3pcg s HIS 140 Ca 0.14 0.24 -0.03 0.00 -0.15 0.00 0.00 55.06 55.26 3pcg s HIS 140 Cb -0.12 -1.94 -0.01 0.00 1.11 0.00 0.00 32.58 31.62 3pcg s HIS 140 CO 0.03 0.43 0.39 -0.08 -0.85 0.00 0.00 174.74 174.66 3pcg s THR 141 N -0.45 0.00 0.00 1.30 -1.32 0.30 -0.03 115.64 115.44 3pcg s THR 141 Ca 0.10 -1.68 0.04 0.00 -1.21 0.00 0.00 61.69 58.94 3pcg s THR 141 Cb -0.12 -2.51 -0.01 0.00 -1.51 0.00 0.00 72.50 68.35 3pcg s THR 141 CO 0.02 0.00 -0.12 -0.13 -2.21 0.00 0.00 174.62 172.18 3pcg s ARG 142 N -3.48 0.92 -0.21 7.08 0.52 -1.26 -0.39 118.95 122.13 3pcg s ARG 142 Ca 0.32 -0.51 -0.05 0.00 -0.52 0.00 0.00 55.73 54.97 3pcg s ARG 142 Cb 0.01 -0.90 -0.02 0.00 0.52 0.00 0.00 34.95 34.57 3pcg s ARG 142 CO 0.18 0.24 -0.01 -1.17 0.02 0.00 0.00 175.30 174.55 3pcg s LEU 143 N -0.52 3.11 0.28 2.53 0.20 0.04 -4.75 118.68 119.58 3pcg s LEU 143 Ca 0.03 -0.28 0.09 0.00 0.69 0.00 0.00 54.13 54.66 3pcg s LEU 143 Cb -0.05 -1.79 -0.04 0.00 -0.43 0.00 0.00 46.19 43.87 3pcg s LEU 143 CO -0.00 0.02 0.08 -0.31 -0.29 0.00 0.00 176.35 175.85 3pcg s TYR 144 N 1.25 2.79 -0.16 5.38 1.51 0.51 -1.64 117.35 126.99 3pcg s TYR 144 Ca 0.03 -0.23 -0.05 0.00 -1.01 0.00 0.00 57.07 55.81 3pcg s TYR 144 Cb -0.15 -1.35 -0.03 0.00 -0.11 0.00 0.00 41.96 40.33 3pcg s TYR 144 CO 0.00 0.53 -0.00 -0.06 -1.11 0.00 0.00 175.55 174.91 3pcg s PHE 145 N -2.30 3.10 0.45 2.71 0.40 -1.26 0.77 117.98 121.85 3pcg s PHE 145 Ca 0.33 -0.15 0.13 0.00 -0.60 0.00 0.00 56.93 56.65 3pcg s PHE 145 Cb -0.06 -1.98 1.05 0.00 0.51 0.00 0.00 43.02 42.54 3pcg s PHE 145 CO 0.22 0.06 2.04 0.38 0.70 0.00 0.00 175.22 178.63 3pcg h ASP 146 N 6.57 0.30 -0.15 1.36 2.03 -1.51 -1.81 116.42 123.19 3pcg h ASP 146 Ca -0.34 -0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 55.94 3pcg h ASP 146 Cb 1.18 -0.07 -0.01 0.00 -0.83 0.00 0.00 39.33 39.61 3pcg h ASP 146 CO 0.65 0.20 0.02 -0.90 -1.03 0.00 0.00 179.24 178.18 3pcg n ASP 147 N -4.48 2.30 -1.64 4.15 5.68 -1.26 -3.44 116.55 117.85 3pcg n ASP 147 Ca 0.05 -2.25 -0.06 0.00 -0.50 0.00 0.00 54.79 52.03 3pcg n ASP 147 Cb 0.22 -0.55 0.08 0.00 -1.14 0.00 0.00 41.12 39.74 3pcg n ASP 147 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3pcg n GLU 148 N 0.15 2.10 -0.26 0.11 -0.58 -0.68 -4.87 120.64 116.61 3pcg n GLU 148 Ca 0.08 -3.45 0.05 0.00 -0.42 0.00 0.00 57.16 53.41 3pcg n GLU 148 Cb 0.52 -1.61 0.15 0.00 -0.57 0.00 0.00 31.44 29.94 3pcg n GLU 148 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3pcg h ALA 149 N 1.71 0.75 0.12 0.62 0.00 -1.74 0.12 119.26 120.85 3pcg h ALA 149 Ca 0.07 0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.24 3pcg h ALA 149 Cb 1.38 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 3pcg h ALA 149 CO 0.32 -0.43 -0.14 1.96 0.00 0.00 0.00 179.25 180.97 3pcg h GLN 150 N 0.08 -0.29 -0.62 0.00 4.20 -1.92 -0.70 115.11 115.86 3pcg h GLN 150 Ca 0.41 0.02 -0.04 0.00 0.06 0.00 0.00 58.65 59.10 3pcg h GLN 150 Cb 0.71 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.53 3pcg h GLN 150 CO -0.69 -0.19 0.23 0.00 -0.67 0.00 0.00 178.83 177.51 3pcg h ALA 151 N 0.55 0.81 -1.00 3.87 0.00 -1.77 -2.91 119.26 118.81 3pcg h ALA 151 Ca 0.01 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.75 3pcg h ALA 151 Cb 0.29 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 3pcg h ALA 151 CO -0.05 0.45 0.66 -0.91 0.00 0.00 0.00 179.25 179.40 3pcg h ASN 152 N 0.87 1.14 -0.43 0.00 2.35 -0.57 -1.21 115.58 117.72 3pcg h ASN 152 Ca 0.20 -0.02 0.03 0.00 -0.55 0.00 0.00 56.30 55.96 3pcg h ASN 152 Cb 0.24 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 3pcg h ASN 152 CO -0.01 0.81 0.29 0.00 -1.65 0.00 0.00 177.43 176.87 3pcg h ALA 153 N 1.39 1.80 -0.26 -0.83 0.00 -0.92 -2.73 119.26 117.71 3pcg h ALA 153 Ca 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3pcg h ALA 153 Cb -0.11 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3pcg h ALA 153 CO -0.09 0.15 0.00 1.63 0.00 0.00 0.00 179.25 180.94 3pcg n LYS 154 N -4.48 2.45 -2.02 0.00 5.02 -0.54 -4.93 118.16 113.66 3pcg n LYS 154 Ca 0.04 -2.17 -0.42 0.00 -2.02 0.00 0.00 58.31 53.75 3pcg n LYS 154 Cb 0.14 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.62 3pcg n LYS 154 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3pcg h PRO 156 N 7.49 0.00 0.07 0.00 0.13 -1.92 -0.93 132.00 136.84 3pcg h PRO 156 Ca -0.42 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.53 3pcg h PRO 156 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 3pcg h PRO 156 CO 0.91 0.08 -0.88 0.28 -0.23 0.00 0.00 178.00 178.15 3pcg h VAL 157 N 0.00 1.33 -0.71 1.56 2.07 -1.94 -3.25 116.25 115.30 3pcg h VAL 157 Ca -0.00 -2.39 -0.00 0.00 0.82 0.00 0.00 66.70 65.13 3pcg h VAL 157 Cb 0.35 2.93 -0.03 0.00 -1.52 0.00 0.00 31.29 33.02 3pcg h VAL 157 CO 0.01 0.62 0.43 0.25 0.02 0.00 0.00 177.57 178.90 3pcg h LEU 158 N -0.61 0.84 0.00 2.57 5.85 -1.86 -0.38 115.31 121.71 3pcg h LEU 158 Ca -0.19 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.48 3pcg h LEU 158 Cb 1.47 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.29 3pcg h LEU 158 CO 0.02 0.64 0.00 0.59 -0.34 0.00 0.00 178.44 179.35 3pcg n ASN 159 N -4.40 0.00 0.03 1.25 3.02 -0.37 -1.89 115.26 112.90 3pcg n ASN 159 Ca 0.07 0.29 0.13 0.00 -0.03 0.00 0.00 54.58 55.04 3pcg n ASN 159 Cb 0.06 -0.40 0.37 0.00 -0.61 0.00 0.00 39.78 39.20 3pcg n ASN 159 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3pcg n LEU 160 N -1.40 0.43 -4.57 3.41 4.77 -0.15 -4.69 117.00 114.79 3pcg n LEU 160 Ca 0.06 0.29 -0.43 0.00 -0.03 0.00 0.00 56.01 55.90 3pcg n LEU 160 Cb 0.17 -0.32 -0.04 0.00 -2.33 0.00 0.00 43.42 40.89 3pcg n LEU 160 CO 0.14 0.01 0.75 -0.63 -1.33 0.00 0.00 177.39 176.33 3pcg s ILE 161 N -3.05 4.49 0.17 -0.08 1.01 -0.79 -4.94 121.20 118.01 3pcg s ILE 161 Ca 0.11 0.82 -0.27 0.00 0.00 0.00 0.00 60.65 61.31 3pcg s ILE 161 Cb 0.16 -4.42 0.01 0.00 0.01 0.00 0.00 42.46 38.23 3pcg s ILE 161 CO 0.64 -0.79 1.55 -0.33 0.00 0.00 0.00 174.94 176.01 3pcg h GLU 162 N 8.98 -0.10 -5.30 2.79 5.08 -1.87 -3.39 114.58 120.77 3pcg h GLU 162 Ca -0.24 0.01 -0.65 0.00 -1.00 0.00 0.00 59.36 57.48 3pcg h GLU 162 Cb 1.08 0.02 -0.15 0.00 0.50 0.00 0.00 28.75 30.20 3pcg h GLU 162 CO 1.02 -0.07 0.02 -0.65 -1.00 0.00 0.00 179.01 178.33 3pcg s GLN 163 N -5.69 3.53 0.33 2.33 -1.52 -1.26 -4.97 119.66 112.41 3pcg s GLN 163 Ca -0.13 -0.19 0.11 0.00 -1.95 0.00 0.00 55.36 53.19 3pcg s GLN 163 Cb 0.13 -3.85 0.99 0.00 -0.22 0.00 0.00 33.01 30.07 3pcg s GLN 163 CO 0.65 -0.75 1.64 -1.00 -0.25 0.00 0.00 175.29 175.58 3pcg h PRO 164 N 8.56 0.22 -0.23 2.91 0.13 -1.97 0.79 132.00 142.41 3pcg h PRO 164 Ca -0.27 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 3pcg h PRO 164 Cb 1.11 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 3pcg h PRO 164 CO 0.81 0.15 0.08 1.96 -0.23 0.00 0.00 178.00 180.77 3pcg h GLN 165 N 0.23 0.32 -0.04 0.86 7.50 -1.95 -2.28 115.11 119.75 3pcg h GLN 165 Ca 0.69 -0.03 -0.13 0.00 0.50 0.00 0.00 58.65 59.67 3pcg h GLN 165 Cb 1.56 -0.06 -0.01 0.00 0.05 0.00 0.00 27.48 29.01 3pcg h GLN 165 CO -0.66 0.28 -0.59 0.00 -1.50 0.00 0.00 178.83 176.36 3pcg h ARG 166 N 0.32 0.13 -0.54 1.46 3.08 0.22 -3.08 114.38 115.96 3pcg h ARG 166 Ca 0.08 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3pcg h ARG 166 Cb 0.09 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 3pcg h ARG 166 CO -0.01 0.68 0.23 0.00 -1.07 0.00 0.00 179.97 179.80 3pcg h ARG 167 N 0.10 0.77 0.00 0.04 3.08 -1.25 -2.47 114.38 114.64 3pcg h ARG 167 Ca -0.01 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 3pcg h ARG 167 Cb 1.07 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.97 3pcg h ARG 167 CO 0.08 0.62 -0.04 0.93 -1.07 0.00 0.00 179.97 180.50 3pcg h GLU 168 N 0.76 0.00 0.00 0.04 5.08 -1.49 -2.13 114.58 116.84 3pcg h GLU 168 Ca 0.19 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3pcg h GLU 168 Cb 0.13 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 3pcg h GLU 168 CO -0.02 0.04 -0.02 1.79 -1.00 0.00 0.00 179.01 179.80 3pcg h THR 169 N 0.00 0.17 -0.02 1.13 1.35 -1.57 -1.69 112.91 112.29 3pcg h THR 169 Ca -0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 3pcg h THR 169 Cb 0.08 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 3pcg h THR 169 CO 0.00 0.02 -0.14 0.18 -0.25 0.00 0.00 175.52 175.34 3pcg n LEU 170 N -3.30 1.64 -4.55 3.87 4.77 -0.80 -4.84 117.00 113.79 3pcg n LEU 170 Ca -0.02 -0.53 -0.41 0.00 -0.03 0.00 0.00 56.01 55.01 3pcg n LEU 170 Cb 0.13 -0.04 -0.08 0.00 -2.33 0.00 0.00 43.42 41.10 3pcg n LEU 170 CO 0.24 0.28 0.20 -0.63 -1.33 0.00 0.00 177.39 176.15 3pcg s ILE 171 N -2.21 5.03 0.18 -0.08 1.01 -0.64 -0.37 121.20 124.13 3pcg s ILE 171 Ca 0.30 0.27 -0.30 0.00 0.00 0.00 0.00 60.65 60.92 3pcg s ILE 171 Cb 0.20 -3.95 -0.08 0.00 0.01 0.00 0.00 42.46 38.64 3pcg s ILE 171 CO 0.42 -0.22 1.01 0.00 0.00 0.00 0.00 174.94 176.15 3pcg s ALA 172 N 2.34 3.32 -0.21 9.38 0.00 0.23 -4.83 121.76 132.00 3pcg s ALA 172 Ca 0.18 0.69 -0.19 0.00 0.00 0.00 0.00 51.96 52.63 3pcg s ALA 172 Cb -0.16 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 3pcg s ALA 172 CO 0.13 -0.03 0.56 0.15 0.00 0.00 0.00 175.76 176.58 3pcg s LYS 173 N -0.56 4.17 0.25 0.00 1.02 -0.56 -1.30 119.74 122.77 3pcg s LYS 173 Ca 0.46 0.47 -0.30 0.00 0.02 0.00 0.00 55.97 56.63 3pcg s LYS 173 Cb -0.27 -3.59 -0.09 0.00 -0.52 0.00 0.00 37.83 33.36 3pcg s LYS 173 CO 0.33 -0.23 1.31 0.50 -0.92 0.00 0.00 175.35 176.34 3pcg s ARG 174 N 1.90 4.38 0.00 1.68 3.52 -1.26 -0.77 118.95 128.40 3pcg s ARG 174 Ca 0.25 2.12 0.00 0.00 -0.13 0.00 0.00 55.73 57.97 3pcg s ARG 174 Cb -0.16 -3.14 0.00 0.00 -1.56 0.00 0.00 34.95 30.09 3pcg s ARG 174 CO 0.10 -0.22 0.00 0.00 -0.81 0.00 0.00 175.30 174.37 3pcg s GLU 176 N -1.53 0.06 -0.17 0.00 2.12 -1.25 -0.80 118.70 117.12 3pcg s GLU 176 Ca 0.00 0.00 0.00 0.00 0.36 0.00 0.00 54.97 55.33 3pcg s GLU 176 Cb 0.00 0.03 0.04 0.00 0.26 0.00 0.00 34.13 34.46 3pcg s GLU 176 CO 0.00 -0.01 -0.08 0.08 -0.54 0.00 0.00 175.26 174.71 3pcg s VAL 177 N -0.08 1.35 -1.30 3.70 1.01 0.31 -4.73 120.40 120.66 3pcg s VAL 177 Ca -0.01 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.15 3pcg s VAL 177 Cb -0.01 -1.46 -0.00 0.00 0.00 0.00 0.00 36.38 34.91 3pcg s VAL 177 CO 0.00 0.18 0.60 0.47 0.00 0.00 0.00 175.10 176.34 3pcg n ASP 178 N 4.80 -2.03 -2.36 3.32 8.00 -1.26 -0.60 116.55 126.42 3pcg n ASP 178 Ca -0.13 -0.97 -0.17 0.00 0.71 0.00 0.00 54.79 54.24 3pcg n ASP 178 Cb 0.48 -3.39 -0.01 0.00 -0.02 0.00 0.00 41.12 38.17 3pcg n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3pcg n GLY 179 N -1.80 -0.37 3.29 0.44 0.00 -1.26 -4.97 105.19 100.53 3pcg n GLY 179 Ca -0.24 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 3pcg n GLY 179 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3pcg s LYS 180 N -4.93 1.61 0.05 1.61 2.47 0.23 -5.09 119.74 115.68 3pcg s LYS 180 Ca 0.00 -1.01 -0.31 0.00 -1.56 0.00 0.00 55.97 53.10 3pcg s LYS 180 Cb 0.00 -1.74 -0.08 0.00 -1.46 0.00 0.00 37.83 34.55 3pcg s LYS 180 CO 0.00 0.45 1.62 0.99 0.16 0.00 0.00 175.35 178.57 3pcg s THR 181 N -0.78 3.16 0.07 3.43 2.01 -1.26 0.11 115.64 122.38 3pcg s THR 181 Ca 0.09 0.58 -0.00 0.00 0.31 0.00 0.00 61.69 62.67 3pcg s THR 181 Cb -0.09 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.00 3pcg s THR 181 CO 0.02 -0.00 -0.03 0.00 -0.69 0.00 0.00 174.62 173.91 3pcg s ALA 182 N 2.69 0.67 -0.01 7.40 0.00 0.02 -1.43 121.76 131.10 3pcg s ALA 182 Ca 0.73 -1.27 0.01 0.00 0.00 0.00 0.00 51.96 51.42 3pcg s ALA 182 Cb -0.38 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.04 3pcg s ALA 182 CO 0.31 -0.35 -0.03 0.71 0.00 0.00 0.00 175.76 176.41 3pcg s TYR 183 N -3.86 0.37 -0.17 0.00 1.51 -0.48 0.26 117.35 114.98 3pcg s TYR 183 Ca 0.10 -0.06 -0.05 0.00 -1.01 0.00 0.00 57.07 56.05 3pcg s TYR 183 Cb 0.07 -0.29 -0.03 0.00 -0.11 0.00 0.00 41.96 41.60 3pcg s TYR 183 CO -0.08 -0.04 -0.00 0.50 -1.11 0.00 0.00 175.55 174.82 3pcg s ARG 184 N 0.21 3.75 -0.33 -0.62 3.52 0.05 -2.15 118.95 123.39 3pcg s ARG 184 Ca -0.02 -0.47 -0.01 0.00 -0.13 0.00 0.00 55.73 55.10 3pcg s ARG 184 Cb -0.05 -3.03 0.11 0.00 -1.56 0.00 0.00 34.95 30.42 3pcg s ARG 184 CO -0.00 0.21 0.15 0.12 -0.81 0.00 0.00 175.30 174.97 3pcg s PHE 185 N 0.47 1.18 0.11 5.12 5.36 -0.48 -1.49 117.98 128.25 3pcg s PHE 185 Ca -0.01 -1.58 -0.14 0.00 -0.96 0.00 0.00 56.93 54.24 3pcg s PHE 185 Cb -0.14 -1.37 -0.07 0.00 -0.34 0.00 0.00 43.02 41.11 3pcg s PHE 185 CO 0.02 -0.84 0.51 -0.51 -1.46 0.00 0.00 175.22 172.93 3pcg s ASP 186 N 1.47 6.80 -0.14 6.13 1.01 -1.26 -4.12 116.67 126.56 3pcg s ASP 186 Ca 0.12 1.02 0.03 0.00 0.71 0.00 0.00 52.55 54.43 3pcg s ASP 186 Cb -0.19 -2.27 0.01 0.00 1.01 0.00 0.00 42.92 41.48 3pcg s ASP 186 CO -0.20 0.15 -0.22 -0.63 0.21 0.00 0.00 175.17 174.48 3pcg s ILE 187 N -1.39 2.08 -0.36 0.77 1.01 -0.45 -4.97 121.20 117.88 3pcg s ILE 187 Ca 0.35 -0.98 -0.06 0.00 0.00 0.00 0.00 60.65 59.96 3pcg s ILE 187 Cb -0.15 -1.83 0.06 0.00 0.01 0.00 0.00 42.46 40.55 3pcg s ILE 187 CO 0.18 0.55 0.14 -0.13 0.00 0.00 0.00 174.94 175.69 3pcg s ARG 188 N 0.77 2.48 0.29 2.79 0.52 -1.26 -0.28 118.95 124.25 3pcg s ARG 188 Ca -0.08 -1.37 0.07 0.00 -0.52 0.00 0.00 55.73 53.82 3pcg s ARG 188 Cb -0.16 -3.51 0.44 0.00 0.52 0.00 0.00 34.95 32.24 3pcg s ARG 188 CO -0.01 -0.80 1.68 0.82 0.02 0.00 0.00 175.30 177.02 3pcg h ILE 189 N 6.23 1.33 -3.01 1.52 2.04 -1.35 0.18 117.51 124.44 3pcg h ILE 189 Ca -0.21 -1.60 -0.09 0.00 1.00 0.00 0.00 64.86 63.96 3pcg h ILE 189 Cb 1.07 1.75 -0.18 0.00 -0.74 0.00 0.00 36.82 38.73 3pcg h ILE 189 CO 0.65 0.47 -0.17 -1.58 0.00 0.00 0.00 178.15 177.52 3pcg s GLN 190 N -4.06 0.83 1.69 2.37 0.74 -1.26 -4.75 119.66 115.21 3pcg s GLN 190 Ca -0.04 -0.29 0.00 0.00 0.05 0.00 0.00 55.36 55.08 3pcg s GLN 190 Cb 0.13 0.37 0.00 0.00 1.10 0.00 0.00 33.01 34.61 3pcg s GLN 190 CO 0.77 -0.26 0.00 0.41 -0.55 0.00 0.00 175.29 175.66 3pcg n GLY 191 N 0.79 0.00 3.68 2.59 0.00 -1.26 -4.02 105.19 106.97 3pcg n GLY 191 Ca -0.20 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 3pcg n GLY 191 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pcg s GLU 192 N 0.00 4.14 -1.24 1.61 2.12 -1.26 -1.73 118.70 122.34 3pcg s GLU 192 Ca 0.00 2.57 0.00 0.00 0.36 0.00 0.00 54.97 57.90 3pcg s GLU 192 Cb 0.00 -3.71 0.00 0.00 0.26 0.00 0.00 34.13 30.68 3pcg s GLU 192 CO 0.00 -0.85 0.00 0.41 -0.54 0.00 0.00 175.26 174.28 3pcg n GLY 193 N 4.27 0.39 3.67 -1.50 0.00 -1.26 -4.93 105.19 105.83 3pcg n GLY 193 Ca 0.18 -0.35 -0.47 0.00 0.00 0.00 0.00 46.02 45.38 3pcg n GLY 193 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3pcg n GLU 194 N -2.40 2.09 -2.19 1.61 2.13 -0.70 -4.59 120.64 116.58 3pcg n GLU 194 Ca -0.15 0.75 -0.40 0.00 0.66 0.00 0.00 57.16 58.02 3pcg n GLU 194 Cb 0.55 -2.52 -0.02 0.00 0.27 0.00 0.00 31.44 29.72 3pcg n GLU 194 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3pcg s THR 195 N 1.31 2.90 0.16 6.31 2.01 0.62 -4.97 115.64 123.99 3pcg s THR 195 Ca 0.81 0.86 -0.30 0.00 0.31 0.00 0.00 61.69 63.37 3pcg s THR 195 Cb -0.70 -3.53 -0.08 0.00 0.01 0.00 0.00 72.50 68.20 3pcg s THR 195 CO 0.40 0.17 1.31 -0.69 -0.69 0.00 0.00 174.62 175.13 3pcg s VAL 196 N -1.22 3.34 0.03 3.82 1.01 -1.26 -4.94 120.40 121.17 3pcg s VAL 196 Ca 0.51 1.05 0.07 0.00 0.00 0.00 0.00 61.98 63.60 3pcg s VAL 196 Cb -0.37 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 3pcg s VAL 196 CO 0.48 0.13 -0.20 -0.36 0.00 0.00 0.00 175.10 175.15 3pcg s PHE 197 N 0.47 1.75 0.28 5.22 0.08 -1.26 -4.71 117.98 119.81 3pcg s PHE 197 Ca 0.59 -0.36 0.09 0.00 0.12 0.00 0.00 56.93 57.37 3pcg s PHE 197 Cb -0.36 -1.06 -0.04 0.00 -0.57 0.00 0.00 43.02 40.99 3pcg s PHE 197 CO 0.35 0.05 0.08 -0.06 -0.10 0.00 0.00 175.22 175.54 3pcg s PHE 198 N -0.70 2.78 -0.03 0.36 0.08 0.95 -4.99 117.98 116.44 3pcg s PHE 198 Ca 0.07 -0.24 0.05 0.00 0.12 0.00 0.00 56.93 56.92 3pcg s PHE 198 Cb -0.08 -1.36 -0.01 0.00 -0.57 0.00 0.00 43.02 41.00 3pcg s PHE 198 CO 0.01 0.52 -0.16 0.34 -0.10 0.00 0.00 175.22 175.83 3pcg s ASP 199 N -3.76 1.97 0.00 1.36 2.15 -1.26 -4.23 116.67 112.90 3pcg s ASP 199 Ca 0.34 -0.31 0.00 0.00 0.43 0.00 0.00 52.55 53.00 3pcg s ASP 199 Cb -0.06 -0.38 0.00 0.00 -0.30 0.00 0.00 42.92 42.18 3pcg s ASP 199 CO 0.22 0.17 0.00 2.22 -0.17 0.00 0.00 175.17 177.61