#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 4.67 -0.06 4.25 -1.09 -1.26 -5.05 121.20 122.66 3pcg s ILE 2 Ca 0.00 1.81 0.05 0.00 -2.23 0.00 0.00 60.65 60.29 3pcg s ILE 2 Cb 0.00 -4.20 -0.01 0.00 -1.58 0.00 0.00 42.46 36.67 3pcg s ILE 2 CO 0.00 0.33 -0.22 -1.61 -1.23 0.00 0.00 174.94 172.20 3pcg s GLU 3 N 0.07 2.34 0.24 2.79 0.41 -1.26 -5.15 118.70 118.13 3pcg s GLU 3 Ca 0.42 -0.81 0.00 0.00 -0.41 0.00 0.00 54.97 54.18 3pcg s GLU 3 Cb -0.21 -1.98 0.05 0.00 -1.78 0.00 0.00 34.13 30.20 3pcg s GLU 3 CO 0.26 0.32 0.32 1.28 -0.49 0.00 0.00 175.26 176.95 3pcg n LEU 4 N 3.05 0.00 -4.78 1.80 4.32 -1.26 -5.05 117.00 115.08 3pcg n LEU 4 Ca -0.18 -0.70 -0.35 0.00 -0.02 0.00 0.00 56.01 54.76 3pcg n LEU 4 Cb 0.52 -0.21 -0.02 0.00 -1.62 0.00 0.00 43.42 42.10 3pcg n LEU 4 CO 0.25 -0.65 0.75 -0.76 -1.22 0.00 0.00 177.39 175.76 3pcg s LEU 5 N 0.00 3.88 0.30 2.23 1.43 -1.26 -4.98 118.68 120.28 3pcg s LEU 5 Ca 0.22 2.07 -0.28 0.00 -1.03 0.00 0.00 54.13 55.11 3pcg s LEU 5 Cb -0.01 -4.47 -0.09 0.00 0.03 0.00 0.00 46.19 41.65 3pcg s LEU 5 CO 0.14 -0.89 1.05 -2.84 0.23 0.00 0.00 176.35 174.05 3pcg s PRO 6 N -3.06 4.57 0.51 1.29 0.02 -1.26 -5.01 135.00 132.05 3pcg s PRO 6 Ca 0.67 1.66 -0.20 0.00 0.02 0.00 0.00 61.00 63.15 3pcg s PRO 6 Cb -0.21 -3.04 -0.07 0.00 0.02 0.00 0.00 34.50 31.20 3pcg s PRO 6 CO 0.25 0.19 1.11 -2.00 -0.33 0.00 0.00 177.00 176.21 3pcg s GLU 7 N -1.67 3.57 0.25 5.54 2.12 -1.26 -4.95 118.70 122.30 3pcg s GLU 7 Ca 0.47 1.56 -0.31 0.00 0.36 0.00 0.00 54.97 57.05 3pcg s GLU 7 Cb -0.28 -2.11 -0.11 0.00 0.26 0.00 0.00 34.13 31.89 3pcg s GLU 7 CO 0.36 -0.66 1.64 0.99 -0.54 0.00 0.00 175.26 177.05 3pcg s THR 8 N -1.79 2.11 0.34 -1.70 2.01 -1.26 -4.93 115.64 110.42 3pcg s THR 8 Ca 0.69 0.09 -0.27 0.00 0.31 0.00 0.00 61.69 62.50 3pcg s THR 8 Cb -0.22 -3.06 -0.09 0.00 0.01 0.00 0.00 72.50 69.14 3pcg s THR 8 CO 0.26 0.01 1.19 -2.84 -0.69 0.00 0.00 174.62 172.55 3pcg s PRO 9 N 0.29 4.32 0.81 4.92 0.02 -1.26 -5.02 135.00 139.09 3pcg s PRO 9 Ca 0.68 1.94 -0.11 0.00 0.02 0.00 0.00 61.00 63.53 3pcg s PRO 9 Cb -0.48 -2.95 0.08 0.00 0.02 0.00 0.00 34.50 31.17 3pcg s PRO 9 CO 0.40 -0.12 1.09 0.45 -0.33 0.00 0.00 177.00 178.49 3pcg s SER 10 N -0.87 4.20 -0.03 2.53 0.15 -1.26 -5.09 113.70 113.33 3pcg s SER 10 Ca 0.51 1.66 -0.15 0.00 0.70 0.00 0.00 55.95 58.67 3pcg s SER 10 Cb -0.34 -2.37 0.03 0.00 -1.71 0.00 0.00 66.02 61.63 3pcg s SER 10 CO 0.43 -2.21 0.32 -1.10 1.20 0.00 0.00 173.24 171.89 3pcg s GLN 11 N -4.94 0.64 0.49 5.44 -1.52 -1.13 -4.89 119.66 113.75 3pcg s GLN 11 Ca 0.62 -0.09 -0.22 0.00 -1.95 0.00 0.00 55.36 53.71 3pcg s GLN 11 Cb -0.17 0.29 -0.08 0.00 -0.22 0.00 0.00 33.01 32.83 3pcg s GLN 11 CO 0.56 -0.17 1.10 -2.37 -0.25 0.00 0.00 175.29 174.16 3pcg n THR 12 N 1.48 3.02 0.31 -0.19 5.66 -1.18 -4.77 114.28 118.62 3pcg n THR 12 Ca -0.20 -0.50 0.15 0.00 -3.05 0.00 0.00 64.05 60.45 3pcg n THR 12 Cb 0.56 -1.31 0.54 0.00 -1.55 0.00 0.00 70.33 68.57 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 1.33 1.00 -1.11 1.79 0.00 -1.75 -3.49 119.26 117.02 3pcg h ALA 13 Ca -0.47 0.00 0.13 0.00 0.00 0.00 0.00 54.91 54.57 3pcg h ALA 13 Cb 1.33 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.08 3pcg h ALA 13 CO 0.56 0.00 -0.24 0.41 0.00 0.00 0.00 179.25 179.98 3pcg n GLY 14 N 0.29 -1.83 0.23 0.00 0.00 -1.26 -3.95 105.19 98.67 3pcg n GLY 14 Ca 0.02 -1.39 0.16 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.46 0.00 -0.45 1.61 0.13 -1.92 -3.10 132.00 127.81 3pcg h PRO 15 Ca -0.01 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.00 3pcg h PRO 15 Cb 0.45 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.51 3pcg h PRO 15 CO 0.01 0.00 0.08 0.66 -0.23 0.00 0.00 178.00 178.52 3pcg n TYR 16 N -2.72 1.50 -0.21 1.56 4.01 -1.26 -4.66 117.16 115.38 3pcg n TYR 16 Ca -0.00 -1.18 0.25 0.00 -0.16 0.00 0.00 57.90 56.82 3pcg n TYR 16 Cb 0.19 -0.49 0.65 0.00 -0.31 0.00 0.00 39.34 39.37 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 1.87 0.59 -0.91 -0.72 3.04 -1.66 -1.69 116.25 116.76 3pcg h VAL 17 Ca 0.15 -0.05 0.08 0.00 -1.01 0.00 0.00 66.70 65.87 3pcg h VAL 17 Cb 1.81 0.42 -0.06 0.00 -2.01 0.00 0.00 31.29 31.45 3pcg h VAL 17 CO 0.44 0.03 0.59 0.45 -1.01 0.00 0.00 177.57 178.07 3pcg h HIS 18 N 0.15 1.03 -0.29 3.17 3.86 -1.84 -0.57 115.15 120.66 3pcg h HIS 18 Ca 0.45 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.71 3pcg h HIS 18 Cb 1.54 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 29.66 3pcg h HIS 18 CO -0.00 0.50 0.19 -0.84 0.86 0.00 0.00 177.93 178.65 3pcg h ILE 19 N 0.98 1.04 0.13 2.45 3.07 -1.53 0.38 117.51 124.02 3pcg h ILE 19 Ca 0.41 -0.11 -0.35 0.00 1.55 0.00 0.00 64.86 66.35 3pcg h ILE 19 Cb 0.30 0.68 -0.01 0.00 -0.27 0.00 0.00 36.82 37.51 3pcg h ILE 19 CO -0.17 0.06 -1.88 1.23 -1.05 0.00 0.00 178.15 176.34 3pcg h GLY 20 N 0.33 0.32 0.00 0.16 0.00 -1.40 -3.42 103.07 99.05 3pcg h GLY 20 Ca 0.11 -0.81 0.00 0.00 0.00 0.00 0.00 47.33 46.64 3pcg h GLY 20 CO -0.02 0.71 0.00 1.04 0.00 0.00 0.00 176.54 178.26 3pcg n LEU 21 N -3.47 0.69 -2.99 3.11 4.77 -0.34 -4.82 117.00 113.95 3pcg n LEU 21 Ca -0.28 -0.76 -0.15 0.00 -0.03 0.00 0.00 56.01 54.79 3pcg n LEU 21 Cb 1.06 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 42.16 3pcg n LEU 21 CO 0.46 0.17 -0.00 0.00 -1.33 0.00 0.00 177.39 176.69 3pcg n ALA 22 N -0.15 0.75 -0.18 -1.18 0.00 0.13 -4.97 120.51 114.90 3pcg n ALA 22 Ca 0.00 -2.53 -0.06 0.00 0.00 0.00 0.00 53.44 50.85 3pcg n ALA 22 Cb 0.03 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 3.25 -1.14 -0.34 0.00 4.07 -1.64 0.74 115.31 120.25 3pcg h LEU 23 Ca 0.00 0.22 0.07 0.00 0.08 0.00 0.00 57.88 58.25 3pcg h LEU 23 Cb 1.01 0.56 -0.08 0.00 1.08 0.00 0.00 40.66 43.23 3pcg h LEU 23 CO 0.35 -0.31 -0.19 -0.08 -1.08 0.00 0.00 178.44 177.13 3pcg h GLU 24 N -0.18 -0.14 -0.92 1.13 4.81 -1.87 -0.80 114.58 116.61 3pcg h GLU 24 Ca 0.22 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.56 3pcg h GLU 24 Cb 0.55 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.89 3pcg h GLU 24 CO -0.64 -0.09 0.59 0.00 -0.73 0.00 0.00 179.01 178.14 3pcg h ALA 25 N 1.07 1.61 0.00 2.92 0.00 -1.55 0.61 119.26 123.93 3pcg h ALA 25 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3pcg h ALA 25 Cb 0.41 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3pcg h ALA 25 CO -0.43 0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.02 3pcg h ALA 26 N 1.55 1.00 -0.89 0.00 0.00 0.51 -3.46 119.26 117.97 3pcg h ALA 26 Ca 0.43 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.30 3pcg h ALA 26 Cb 0.42 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.22 3pcg h ALA 26 CO -0.20 0.00 -0.07 0.41 0.00 0.00 0.00 179.25 179.40 3pcg n GLY 27 N -0.16 0.51 3.53 0.00 0.00 0.21 -4.97 105.19 104.32 3pcg n GLY 27 Ca 0.01 -0.69 -0.24 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.96 3.95 0.37 1.61 0.01 -0.83 -5.04 114.94 112.05 3pcg s ASN 28 Ca 0.03 -0.86 -0.28 0.00 -0.71 0.00 0.00 52.86 51.04 3pcg s ASN 28 Cb -0.01 -0.51 -0.11 0.00 0.41 0.00 0.00 41.25 41.03 3pcg s ASN 28 CO 0.04 0.04 1.48 -2.16 -1.51 0.00 0.00 177.10 174.98 3pcg s PRO 29 N -3.48 4.13 0.57 -0.60 0.04 -1.26 -3.96 135.00 130.44 3pcg s PRO 29 Ca 0.30 2.54 0.02 0.00 0.04 0.00 0.00 61.00 63.89 3pcg s PRO 29 Cb -0.06 -2.98 0.05 0.00 0.04 0.00 0.00 34.50 31.55 3pcg s PRO 29 CO 0.16 -0.51 0.79 0.95 0.04 0.00 0.00 177.00 178.44 3pcg s THR 30 N -1.05 2.59 0.51 1.26 -4.23 -1.26 -4.87 115.64 108.60 3pcg s THR 30 Ca 0.53 -0.68 0.07 0.00 -1.18 0.00 0.00 61.69 60.43 3pcg s THR 30 Cb -0.46 -2.91 0.05 0.00 1.34 0.00 0.00 72.50 70.52 3pcg s THR 30 CO 0.61 0.00 0.70 -0.13 -0.54 0.00 0.00 174.62 175.27 3pcg s ARG 31 N -4.79 2.52 0.16 3.99 0.52 -1.26 -5.03 118.95 115.07 3pcg s ARG 31 Ca 0.59 -1.35 -0.20 0.00 -0.52 0.00 0.00 55.73 54.25 3pcg s ARG 31 Cb -0.10 -2.66 0.08 0.00 0.52 0.00 0.00 34.95 32.79 3pcg s ARG 31 CO 0.39 -0.62 1.64 -0.44 0.02 0.00 0.00 175.30 176.29 3pcg h ASP 32 N 0.33 -0.67 -3.11 0.23 3.32 -2.07 -3.38 116.42 111.07 3pcg h ASP 32 Ca -0.36 0.15 -0.67 0.00 0.02 0.00 0.00 57.03 56.17 3pcg h ASP 32 Cb 1.28 0.35 -0.34 0.00 0.22 0.00 0.00 39.33 40.84 3pcg h ASP 32 CO 0.44 -0.23 -0.84 -1.10 -1.72 0.00 0.00 179.24 175.78 3pcg s GLN 33 N -6.13 3.01 0.04 3.56 -0.21 -1.26 -5.12 119.66 113.56 3pcg s GLN 33 Ca -0.14 -0.82 0.07 0.00 0.02 0.00 0.00 55.36 54.49 3pcg s GLN 33 Cb 0.14 -2.62 -0.02 0.00 1.00 0.00 0.00 33.01 31.50 3pcg s GLN 33 CO 0.69 -0.22 -0.21 -1.21 -2.12 0.00 0.00 175.29 172.23 3pcg s GLU 34 N 1.31 1.43 -0.43 2.91 0.41 -1.26 -5.11 118.70 117.96 3pcg s GLU 34 Ca 0.05 -0.93 -0.21 0.00 -0.41 0.00 0.00 54.97 53.46 3pcg s GLU 34 Cb -0.13 -1.54 0.02 0.00 -1.78 0.00 0.00 34.13 30.70 3pcg s GLU 34 CO -0.12 0.40 0.69 0.42 -0.49 0.00 0.00 175.26 176.16 3pcg s ILE 35 N -0.78 4.78 0.00 -1.63 1.01 -1.26 -5.02 121.20 118.30 3pcg s ILE 35 Ca 0.08 0.28 0.00 0.00 0.00 0.00 0.00 60.65 61.01 3pcg s ILE 35 Cb -0.09 -4.23 0.00 0.00 0.01 0.00 0.00 42.46 38.15 3pcg s ILE 35 CO 0.02 -0.60 0.00 1.87 0.00 0.00 0.00 174.94 176.23 3pcg n TRP 36 N 6.38 0.00 0.68 3.97 -0.00 -1.26 -4.58 117.44 122.63 3pcg n TRP 36 Ca -0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.50 57.52 3pcg n TRP 36 Cb 0.48 0.00 0.10 0.00 -0.00 0.00 0.00 31.31 31.89 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 1.98 -3.96 5.87 6.94 -0.22 -1.87 115.26 124.00 3pcg n ASN 37 Ca 0.00 -2.19 -0.30 0.00 -0.02 0.00 0.00 54.58 52.06 3pcg n ASN 37 Cb 0.00 -0.48 -0.15 0.00 -2.36 0.00 0.00 39.78 36.80 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 -1.49 1.56 0.13 -3.83 3.52 -1.26 -0.60 118.95 116.97 3pcg s ARG 38 Ca 0.13 -2.06 0.02 0.00 -0.13 0.00 0.00 55.73 53.70 3pcg s ARG 38 Cb 0.10 -3.09 -0.14 0.00 -1.56 0.00 0.00 34.95 30.25 3pcg s ARG 38 CO 0.05 -1.01 1.28 -0.07 -0.81 0.00 0.00 175.30 174.74 3pcg h LEU 39 N 7.24 0.20 -8.54 -0.88 4.07 -1.33 -3.46 115.31 112.62 3pcg h LEU 39 Ca -0.06 -0.20 -0.69 0.00 0.08 0.00 0.00 57.88 57.01 3pcg h LEU 39 Cb 0.97 -0.06 -0.31 0.00 1.08 0.00 0.00 40.66 42.34 3pcg h LEU 39 CO 0.57 1.09 -0.89 0.00 -1.08 0.00 0.00 178.44 178.13 3pcg s ALA 40 N -2.89 2.16 0.22 1.53 0.00 -1.17 -0.16 121.76 121.45 3pcg s ALA 40 Ca -0.02 -1.08 -0.20 0.00 0.00 0.00 0.00 51.96 50.66 3pcg s ALA 40 Cb 0.09 -0.62 -0.08 0.00 0.00 0.00 0.00 23.12 22.51 3pcg s ALA 40 CO 0.84 0.47 0.74 0.15 0.00 0.00 0.00 175.76 177.95 3pcg s LYS 41 N -0.36 4.29 0.23 0.00 1.02 0.29 -4.86 119.74 120.36 3pcg s LYS 41 Ca 0.02 0.92 0.08 0.00 0.02 0.00 0.00 55.97 57.01 3pcg s LYS 41 Cb -0.12 -2.90 0.71 0.00 -0.52 0.00 0.00 37.83 34.99 3pcg s LYS 41 CO 0.02 0.40 1.04 -2.30 -0.92 0.00 0.00 175.35 173.59 3pcg n PRO 42 N 0.78 -0.05 -0.05 -1.68 -0.02 -1.26 0.15 135.00 132.87 3pcg n PRO 42 Ca -0.02 0.95 0.02 0.00 -2.02 0.00 0.00 63.50 62.42 3pcg n PRO 42 Cb 0.51 -1.61 0.04 0.00 -0.02 0.00 0.00 33.50 32.42 3pcg n PRO 42 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3pcg n ASP 43 N -4.68 0.56 -4.77 2.55 5.68 -1.26 -4.88 116.55 109.75 3pcg n ASP 43 Ca 0.21 -2.01 -0.39 0.00 -0.50 0.00 0.00 54.79 52.10 3pcg n ASP 43 Cb 0.69 -0.08 -0.06 0.00 -1.14 0.00 0.00 41.12 40.53 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 -1.84 3.46 0.70 2.12 0.00 0.40 -5.04 121.76 121.55 3pcg s ALA 44 Ca 0.06 0.20 -0.15 0.00 0.00 0.00 0.00 51.96 52.07 3pcg s ALA 44 Cb 0.03 -2.86 0.02 0.00 0.00 0.00 0.00 23.12 20.32 3pcg s ALA 44 CO 0.04 0.22 1.18 -1.25 0.00 0.00 0.00 175.76 175.95 3pcg s PRO 45 N -0.61 2.39 0.00 0.00 0.04 -1.26 -4.89 135.00 130.67 3pcg s PRO 45 Ca 0.34 1.66 0.00 0.00 0.04 0.00 0.00 61.00 63.05 3pcg s PRO 45 Cb -0.21 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.46 3pcg s PRO 45 CO 0.22 -1.63 0.00 0.41 0.04 0.00 0.00 177.00 176.04 3pcg n GLY 46 N 0.16 1.40 3.64 0.56 0.00 -1.26 -4.57 105.19 105.11 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 -1.68 4.01 0.09 1.61 2.02 -1.26 -4.90 118.70 118.60 3pcg s GLU 47 Ca 0.00 1.14 -0.30 0.00 0.02 0.00 0.00 54.97 55.83 3pcg s GLU 47 Cb 0.00 -3.79 -0.06 0.00 0.10 0.00 0.00 34.13 30.37 3pcg s GLU 47 CO 0.00 -0.99 1.20 -1.01 0.02 0.00 0.00 175.26 174.48 3pcg s HIS 48 N 3.92 3.44 0.11 1.61 3.76 -1.26 -0.98 115.29 125.90 3pcg s HIS 48 Ca 0.50 1.33 0.01 0.00 -0.15 0.00 0.00 55.06 56.75 3pcg s HIS 48 Cb -0.14 -3.42 -0.04 0.00 1.11 0.00 0.00 32.58 30.09 3pcg s HIS 48 CO 0.19 -1.25 -0.02 0.96 -0.85 0.00 0.00 174.74 173.77 3pcg s ILE 49 N 0.76 0.48 -0.11 0.60 -4.36 0.26 -4.67 121.20 114.16 3pcg s ILE 49 Ca 0.57 -1.92 0.02 0.00 -0.26 0.00 0.00 60.65 59.07 3pcg s ILE 49 Cb -0.30 -1.83 -0.01 0.00 1.25 0.00 0.00 42.46 41.57 3pcg s ILE 49 CO 0.31 -0.72 -0.19 -0.22 0.24 0.00 0.00 174.94 174.35 3pcg s LEU 50 N -3.05 2.35 -0.08 0.37 2.96 -0.54 -1.47 118.68 119.22 3pcg s LEU 50 Ca 0.16 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.62 3pcg s LEU 50 Cb 0.06 -1.49 -0.03 0.00 0.50 0.00 0.00 46.19 45.23 3pcg s LEU 50 CO -0.02 0.17 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.33 3pcg s LEU 51 N 0.33 3.04 0.06 -0.68 1.43 -0.04 -1.52 118.68 121.30 3pcg s LEU 51 Ca -0.15 -0.10 -0.08 0.00 -1.03 0.00 0.00 54.13 52.77 3pcg s LEU 51 Cb -0.17 -1.66 -0.00 0.00 0.03 0.00 0.00 46.19 44.38 3pcg s LEU 51 CO 0.08 0.32 0.18 -1.48 0.23 0.00 0.00 176.35 175.67 3pcg s LEU 52 N -0.55 1.47 -0.01 1.79 -0.00 -0.83 -1.11 118.68 119.44 3pcg s LEU 52 Ca 0.08 -0.53 -0.30 0.00 -0.00 0.00 0.00 54.13 53.38 3pcg s LEU 52 Cb -0.12 0.94 0.12 0.00 -0.00 0.00 0.00 46.19 47.13 3pcg s LEU 52 CO 0.02 -0.63 1.28 -0.83 -0.00 0.00 0.00 176.35 176.19 3pcg s GLY 53 N -2.46 -0.37 0.15 -3.48 0.00 -0.99 -1.04 107.32 99.13 3pcg s GLY 53 Ca -0.00 0.60 0.06 0.00 0.00 0.00 0.00 44.72 45.38 3pcg s GLY 53 CO -0.07 0.74 -0.14 1.20 0.00 0.00 0.00 173.10 174.83 3pcg s GLN 54 N -2.39 1.13 -0.07 2.90 -0.21 -1.26 -1.51 119.66 118.25 3pcg s GLN 54 Ca 0.16 -1.38 0.05 0.00 0.02 0.00 0.00 55.36 54.21 3pcg s GLN 54 Cb 0.04 -0.96 -0.01 0.00 1.00 0.00 0.00 33.01 33.08 3pcg s GLN 54 CO -0.03 0.17 -0.23 0.08 -2.12 0.00 0.00 175.29 173.15 3pcg s VAL 55 N -2.53 2.19 0.04 1.09 1.01 -1.26 -1.06 120.40 119.88 3pcg s VAL 55 Ca 0.14 -1.01 0.08 0.00 0.00 0.00 0.00 61.98 61.20 3pcg s VAL 55 Cb -0.03 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 3pcg s VAL 55 CO 0.04 0.57 -0.23 -0.31 0.00 0.00 0.00 175.10 175.16 3pcg s TYR 56 N -0.05 2.05 0.79 5.22 2.02 -0.01 -0.81 117.35 126.57 3pcg s TYR 56 Ca -0.07 -0.39 -0.03 0.00 -0.37 0.00 0.00 57.07 56.21 3pcg s TYR 56 Cb -0.15 -1.24 0.16 0.00 -0.40 0.00 0.00 41.96 40.34 3pcg s TYR 56 CO 0.05 0.10 1.09 0.16 -1.57 0.00 0.00 175.55 175.37 3pcg s ASP 57 N -1.15 3.93 0.61 2.29 1.47 0.99 -1.67 116.67 123.15 3pcg s ASP 57 Ca 0.09 -0.40 0.36 0.00 1.18 0.00 0.00 52.55 53.78 3pcg s ASP 57 Cb -0.09 0.19 1.99 0.00 -0.34 0.00 0.00 42.92 44.67 3pcg s ASP 57 CO 0.02 -2.16 2.26 1.23 0.68 0.00 0.00 175.17 177.20 3pcg h GLY 58 N -0.81 0.00 -1.03 2.12 0.00 -1.88 -0.90 103.07 100.57 3pcg h GLY 58 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.97 3pcg h GLY 58 CO 0.36 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.60 3pcg n ASN 59 N -3.47 2.07 0.00 0.19 3.02 -1.26 -4.74 115.26 111.07 3pcg n ASN 59 Ca -0.03 -1.69 0.00 0.00 -0.03 0.00 0.00 54.58 52.83 3pcg n ASN 59 Cb 0.11 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 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 1.24 0.51 3.84 7.41 0.00 -0.34 -5.04 105.19 112.80 3pcg n GLY 60 Ca 0.17 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 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 3.67 0.33 1.61 3.76 -1.26 -4.77 115.29 116.64 3pcg s HIS 61 Ca 0.00 1.05 -0.29 0.00 -0.15 0.00 0.00 55.06 55.67 3pcg s HIS 61 Cb 0.00 -2.35 -0.10 0.00 1.11 0.00 0.00 32.58 31.24 3pcg s HIS 61 CO 0.00 0.52 1.32 -0.51 -0.85 0.00 0.00 174.74 175.22 3pcg s LEU 62 N -1.60 4.42 -0.48 0.89 1.43 -1.26 -0.00 118.68 122.08 3pcg s LEU 62 Ca 0.32 2.70 -0.17 0.00 -1.03 0.00 0.00 54.13 55.96 3pcg s LEU 62 Cb -0.16 -3.65 0.07 0.00 0.03 0.00 0.00 46.19 42.48 3pcg s LEU 62 CO 0.18 -0.55 0.47 -0.69 0.23 0.00 0.00 176.35 175.98 3pcg s VAL 63 N -1.10 5.12 -0.49 -1.59 1.01 0.01 -4.84 120.40 118.52 3pcg s VAL 63 Ca 0.49 -0.89 0.12 0.00 0.00 0.00 0.00 61.98 61.70 3pcg s VAL 63 Cb -0.40 -4.19 0.65 0.00 0.00 0.00 0.00 36.38 32.44 3pcg s VAL 63 CO 0.53 -0.66 1.50 0.54 0.00 0.00 0.00 175.10 177.01 3pcg n ARG 64 N 5.52 4.03 -1.17 2.72 1.74 -1.26 -4.23 116.66 124.00 3pcg n ARG 64 Ca -0.11 -2.50 0.03 0.00 -0.77 0.00 0.00 57.85 54.51 3pcg n ARG 64 Cb 0.44 -2.08 0.03 0.00 -1.02 0.00 0.00 32.46 29.84 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 0.54 0.87 -4.85 0.55 5.68 -1.26 -3.95 116.55 114.13 3pcg n ASP 65 Ca 0.22 -2.18 -0.32 0.00 -0.50 0.00 0.00 54.79 52.01 3pcg n ASP 65 Cb 0.98 -0.30 -0.02 0.00 -1.14 0.00 0.00 41.12 40.64 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 -1.90 6.47 -0.05 -1.12 1.04 -1.26 -4.56 113.70 112.32 3pcg s SER 66 Ca 0.27 1.54 -0.00 0.00 0.48 0.00 0.00 55.95 58.23 3pcg s SER 66 Cb 0.30 -2.50 0.03 0.00 0.10 0.00 0.00 66.02 63.94 3pcg s SER 66 CO -0.12 -0.69 -0.02 0.12 0.98 0.00 0.00 173.24 173.51 3pcg s PHE 67 N -2.78 0.63 0.03 5.02 5.36 0.14 -2.63 117.98 123.76 3pcg s PHE 67 Ca 0.58 -0.15 0.07 0.00 -0.96 0.00 0.00 56.93 56.47 3pcg s PHE 67 Cb -0.10 -0.67 -0.02 0.00 -0.34 0.00 0.00 43.02 41.88 3pcg s PHE 67 CO 0.38 -0.24 -0.21 -0.51 -1.46 0.00 0.00 175.22 173.18 3pcg s LEU 68 N 1.36 2.14 0.06 6.12 1.02 -0.28 -0.36 118.68 128.75 3pcg s LEU 68 Ca -0.04 -0.50 0.10 0.00 0.02 0.00 0.00 54.13 53.70 3pcg s LEU 68 Cb -0.13 -1.01 -0.03 0.00 0.02 0.00 0.00 46.19 45.04 3pcg s LEU 68 CO -0.02 0.18 -0.26 -1.61 0.02 0.00 0.00 176.35 174.66 3pcg s GLU 69 N -1.06 1.73 0.06 1.70 2.02 -0.74 -1.10 118.70 121.31 3pcg s GLU 69 Ca 0.08 -1.16 0.04 0.00 0.02 0.00 0.00 54.97 53.95 3pcg s GLU 69 Cb -0.09 -1.97 -0.03 0.00 0.10 0.00 0.00 34.13 32.14 3pcg s GLU 69 CO 0.01 0.50 -0.11 0.14 0.02 0.00 0.00 175.26 175.82 3pcg s VAL 70 N -0.87 0.89 -0.09 2.63 -7.23 -0.60 -1.38 120.40 113.76 3pcg s VAL 70 Ca 0.12 -1.26 -0.04 0.00 -1.81 0.00 0.00 61.98 59.00 3pcg s VAL 70 Cb -0.10 -0.93 0.05 0.00 0.56 0.00 0.00 36.38 35.95 3pcg s VAL 70 CO 0.03 -0.32 0.18 0.86 -0.31 0.00 0.00 175.10 175.54 3pcg s TRP 71 N -1.44 -0.23 0.06 2.82 -0.11 -0.21 -2.65 118.94 117.17 3pcg s TRP 71 Ca -0.04 0.65 -0.13 0.00 1.22 0.00 0.00 56.10 57.79 3pcg s TRP 71 Cb -0.09 -0.13 0.02 0.00 -1.50 0.00 0.00 33.47 31.77 3pcg s TRP 71 CO 0.01 -0.24 0.30 1.14 -4.62 0.00 0.00 176.95 173.53 3pcg s GLN 72 N 1.81 0.83 0.85 5.86 -2.07 -0.39 0.04 119.66 126.60 3pcg s GLN 72 Ca -0.03 -0.58 -0.12 0.00 -1.82 0.00 0.00 55.36 52.81 3pcg s GLN 72 Cb -0.12 0.36 0.10 0.00 -1.09 0.00 0.00 33.01 32.27 3pcg s GLN 72 CO -0.07 -0.27 1.10 0.00 -1.32 0.00 0.00 175.29 174.73 3pcg s ALA 73 N -2.83 1.91 0.96 2.60 0.00 -1.26 -4.48 121.76 118.65 3pcg s ALA 73 Ca -0.03 -0.22 -0.11 0.00 0.00 0.00 0.00 51.96 51.59 3pcg s ALA 73 Cb 0.00 -3.12 0.17 0.00 0.00 0.00 0.00 23.12 20.17 3pcg s ALA 73 CO -0.05 -2.05 1.01 -0.40 0.00 0.00 0.00 175.76 174.27 3pcg n ASP 74 N -3.65 0.21 0.19 0.00 5.68 0.37 -4.41 116.55 114.93 3pcg n ASP 74 Ca 0.07 -1.45 0.16 0.00 -0.50 0.00 0.00 54.79 53.07 3pcg n ASP 74 Cb 0.56 -0.76 0.78 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 -1.67 1.93 -0.13 2.12 0.00 -1.81 0.28 119.26 119.98 3pcg h ALA 75 Ca -0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3pcg h ALA 75 Cb 0.94 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3pcg h ALA 75 CO 0.24 -0.28 0.00 0.09 0.00 0.00 0.00 179.25 179.30 3pcg n ASN 76 N -4.02 1.34 -0.80 0.00 3.02 -1.26 -3.70 115.26 109.84 3pcg n ASN 76 Ca 0.02 -1.66 -0.07 0.00 -0.03 0.00 0.00 54.58 52.84 3pcg n ASN 76 Cb 0.31 -0.08 -0.00 0.00 -0.61 0.00 0.00 39.78 39.39 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 1.06 0.09 3.48 7.41 0.00 0.73 -4.76 105.19 113.19 3pcg n GLY 77 Ca 0.16 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 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 -4.36 2.52 -0.30 1.61 2.02 -1.26 -4.73 118.70 114.21 3pcg s GLU 78 Ca 0.00 -0.69 -0.17 0.00 0.02 0.00 0.00 54.97 54.13 3pcg s GLU 78 Cb -0.00 -2.38 -0.02 0.00 0.10 0.00 0.00 34.13 31.83 3pcg s GLU 78 CO 0.00 0.62 0.48 0.71 0.02 0.00 0.00 175.26 177.09 3pcg s TYR 79 N -0.72 3.22 -0.98 1.61 2.02 -1.26 0.14 117.35 121.38 3pcg s TYR 79 Ca 0.11 0.38 -0.14 0.00 -0.37 0.00 0.00 57.07 57.05 3pcg s TYR 79 Cb -0.11 -2.78 0.20 0.00 -0.40 0.00 0.00 41.96 38.87 3pcg s TYR 79 CO 0.01 -0.38 1.06 -0.65 -1.57 0.00 0.00 175.55 174.01 3pcg s GLN 80 N 2.29 3.81 0.25 -0.62 -1.52 -1.26 -4.91 119.66 117.71 3pcg s GLN 80 Ca 0.19 -2.43 0.12 0.00 -1.95 0.00 0.00 55.36 51.28 3pcg s GLN 80 Cb -0.16 -4.71 0.24 0.00 -0.22 0.00 0.00 33.01 28.16 3pcg s GLN 80 CO 0.11 -1.51 1.53 0.38 -0.25 0.00 0.00 175.29 175.55 3pcg h ASP 81 N 7.75 0.00 -0.82 5.90 2.03 -1.97 -3.21 116.42 126.10 3pcg h ASP 81 Ca 0.17 0.00 -0.48 0.00 -0.73 0.00 0.00 57.03 55.99 3pcg h ASP 81 Cb 0.97 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.40 3pcg h ASP 81 CO 1.00 0.66 1.38 0.00 -1.03 0.00 0.00 179.24 181.25 3pcg s ALA 82 N -3.30 2.39 0.13 4.15 0.00 -1.26 -4.95 121.76 118.92 3pcg s ALA 82 Ca 0.00 -2.20 -0.31 0.00 0.00 0.00 0.00 51.96 49.45 3pcg s ALA 82 Cb 0.11 -4.60 -0.10 0.00 0.00 0.00 0.00 23.12 18.54 3pcg s ALA 82 CO 0.76 -4.19 1.72 -0.47 0.00 0.00 0.00 175.76 173.59 3pcg s TYR 83 N 7.38 2.48 -0.23 0.00 5.04 -1.26 -4.99 117.35 125.76 3pcg s TYR 83 Ca 0.59 0.23 -0.18 0.00 -2.44 0.00 0.00 57.07 55.26 3pcg s TYR 83 Cb -0.01 -4.08 0.06 0.00 0.35 0.00 0.00 41.96 38.29 3pcg s TYR 83 CO 0.01 -4.29 0.59 1.21 -1.34 0.00 0.00 175.55 171.74 3pcg s ASN 84 N 2.16 -0.67 0.29 4.32 3.84 -1.26 -5.03 114.94 118.58 3pcg s ASN 84 Ca 0.76 1.23 0.25 0.00 0.21 0.00 0.00 52.86 55.31 3pcg s ASN 84 Cb -0.44 1.20 0.99 0.00 -0.55 0.00 0.00 41.25 42.44 3pcg s ASN 84 CO 0.34 -0.21 1.76 -0.07 -2.79 0.00 0.00 177.10 176.12 3pcg h LEU 85 N 5.81 0.00 0.00 3.21 3.38 -1.98 -2.54 115.31 123.19 3pcg h LEU 85 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3pcg h LEU 85 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3pcg h LEU 85 CO 0.16 0.00 -0.35 -0.33 0.09 0.00 0.00 178.44 178.00 3pcg h GLU 86 N 0.00 0.00 -6.94 1.13 5.08 -1.99 -3.47 114.58 108.39 3pcg h GLU 86 Ca 0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 3pcg h GLU 86 Cb 0.46 0.00 0.13 0.00 0.50 0.00 0.00 28.75 29.84 3pcg h GLU 86 CO 0.00 0.00 0.60 0.09 -1.00 0.00 0.00 179.01 178.70 3pcg n ASN 87 N -2.73 2.88 0.13 1.42 3.02 -0.96 -4.88 115.26 114.14 3pcg n ASN 87 Ca 0.03 1.08 0.01 0.00 -0.03 0.00 0.00 54.58 55.67 3pcg n ASN 87 Cb 0.51 -1.56 0.07 0.00 -0.61 0.00 0.00 39.78 38.19 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 2.01 0.68 -3.17 5.41 0.00 -1.90 -3.44 119.26 118.85 3pcg h ALA 88 Ca -0.50 -0.55 -0.19 0.00 0.00 0.00 0.00 54.91 53.68 3pcg h ALA 88 Cb 1.29 -0.10 -0.28 0.00 0.00 0.00 0.00 17.79 18.70 3pcg h ALA 88 CO 0.60 0.75 -0.49 0.12 0.00 0.00 0.00 179.25 180.23 3pcg s PHE 89 N -3.08 -0.25 -0.05 0.00 5.36 -1.26 0.11 117.98 118.81 3pcg s PHE 89 Ca 0.02 0.62 0.04 0.00 -0.96 0.00 0.00 56.93 56.65 3pcg s PHE 89 Cb 0.09 0.06 -0.00 0.00 -0.34 0.00 0.00 43.02 42.83 3pcg s PHE 89 CO 0.75 -0.15 -0.17 -0.80 -1.46 0.00 0.00 175.22 173.39 3pcg s ASN 90 N 0.52 2.19 0.33 6.13 0.01 0.77 -4.97 114.94 119.91 3pcg s ASN 90 Ca -0.03 -0.36 0.26 0.00 -0.71 0.00 0.00 52.86 52.02 3pcg s ASN 90 Cb -0.05 -0.69 0.98 0.00 0.41 0.00 0.00 41.25 41.90 3pcg s ASN 90 CO -0.03 0.14 1.78 0.28 -1.51 0.00 0.00 177.10 177.76 3pcg h SER 91 N 6.37 0.00 -3.87 -1.22 0.02 -1.78 -3.44 113.55 109.64 3pcg h SER 91 Ca -0.31 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 59.95 3pcg h SER 91 Cb 1.18 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.51 3pcg h SER 91 CO 0.48 0.00 -0.81 0.12 -1.14 0.00 0.00 176.83 175.48 3pcg s PHE 92 N -3.34 2.53 0.35 3.45 5.36 -1.26 -1.26 117.98 123.81 3pcg s PHE 92 Ca 0.05 -0.27 -0.18 0.00 -0.96 0.00 0.00 56.93 55.58 3pcg s PHE 92 Cb 0.09 -1.40 0.04 0.00 -0.34 0.00 0.00 43.02 41.42 3pcg s PHE 92 CO 0.49 0.31 0.77 0.20 -1.46 0.00 0.00 175.22 175.53 3pcg s GLY 93 N -1.77 0.21 -0.04 13.12 0.00 -1.09 -4.83 107.32 112.94 3pcg s GLY 93 Ca 0.16 -0.60 -0.06 0.00 0.00 0.00 0.00 44.72 44.22 3pcg s GLY 93 CO 0.07 -0.23 0.15 0.50 0.00 0.00 0.00 173.10 173.60 3pcg s ARG 94 N -2.85 0.31 0.26 2.90 0.52 -0.78 -1.55 118.95 117.76 3pcg s ARG 94 Ca 0.14 -0.03 -0.05 0.00 -0.52 0.00 0.00 55.73 55.27 3pcg s ARG 94 Cb -0.05 0.14 -0.02 0.00 0.52 0.00 0.00 34.95 35.54 3pcg s ARG 94 CO 0.10 -0.06 0.35 -0.08 0.02 0.00 0.00 175.30 175.63 3pcg s THR 95 N -0.52 0.00 0.17 0.02 -1.32 -0.26 -1.06 115.64 112.68 3pcg s THR 95 Ca -0.06 -1.70 -0.18 0.00 -1.21 0.00 0.00 61.69 58.54 3pcg s THR 95 Cb -0.04 -2.44 0.04 0.00 -1.51 0.00 0.00 72.50 68.55 3pcg s THR 95 CO 0.01 0.00 0.51 0.00 -2.21 0.00 0.00 174.62 172.93 3pcg s ALA 96 N -3.76 -1.09 -0.01 11.08 0.00 -1.26 -1.13 121.76 125.59 3pcg s ALA 96 Ca 0.31 -0.02 -0.13 0.00 0.00 0.00 0.00 51.96 52.12 3pcg s ALA 96 Cb 0.02 0.82 -0.05 0.00 0.00 0.00 0.00 23.12 23.90 3pcg s ALA 96 CO 0.14 -0.76 0.37 0.95 0.00 0.00 0.00 175.76 176.47 3pcg s THR 97 N -3.83 5.09 0.37 0.00 -4.23 -1.08 -4.19 115.64 107.77 3pcg s THR 97 Ca 0.06 0.73 -0.28 0.00 -1.18 0.00 0.00 61.69 61.01 3pcg s THR 97 Cb -0.00 -3.67 -0.11 0.00 1.34 0.00 0.00 72.50 70.06 3pcg s THR 97 CO -0.07 0.56 1.51 0.42 -0.54 0.00 0.00 174.62 176.50 3pcg s THR 98 N -1.10 2.02 0.21 3.99 -4.23 -1.20 -4.49 115.64 110.84 3pcg s THR 98 Ca 0.23 0.02 0.28 0.00 -1.18 0.00 0.00 61.69 61.05 3pcg s THR 98 Cb -0.16 -3.01 0.30 0.00 1.34 0.00 0.00 72.50 70.97 3pcg s THR 98 CO 0.13 0.00 1.95 -0.26 -0.54 0.00 0.00 174.62 175.90 3pcg h PHE 99 N 3.19 0.00 0.00 3.99 0.04 -1.96 -0.79 116.94 121.40 3pcg h PHE 99 Ca -0.51 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.26 3pcg h PHE 99 Cb 1.24 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.39 3pcg h PHE 99 CO 0.54 0.13 0.00 -0.40 -0.60 0.00 0.00 178.31 177.97 3pcg n ASP 100 N -3.34 0.00 -0.34 2.17 5.75 -1.26 -4.71 116.55 114.83 3pcg n ASP 100 Ca -0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 54.77 3pcg n ASP 100 Cb 0.34 0.00 0.15 0.00 -1.03 0.00 0.00 41.12 40.58 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 1.34 -1.63 2.12 0.00 -1.98 -3.47 119.26 113.64 3pcg h ALA 101 Ca 0.00 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 3pcg h ALA 101 Cb 0.00 -0.38 0.02 0.00 0.00 0.00 0.00 17.79 17.43 3pcg h ALA 101 CO 0.00 0.61 -0.19 0.41 0.00 0.00 0.00 179.25 180.08 3pcg n GLY 102 N -1.39 0.27 3.32 0.00 0.00 -0.30 -4.91 105.19 102.17 3pcg n GLY 102 Ca 0.11 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 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 -4.80 2.23 0.19 1.61 2.12 -1.26 -4.38 118.70 114.40 3pcg s GLU 103 Ca 0.08 -0.91 0.06 0.00 0.36 0.00 0.00 54.97 54.56 3pcg s GLU 103 Cb -0.04 -2.09 -0.04 0.00 0.26 0.00 0.00 34.13 32.23 3pcg s GLU 103 CO 0.10 0.53 0.14 1.67 -0.54 0.00 0.00 175.26 177.16 3pcg s TRP 104 N -0.53 3.12 0.02 5.30 1.48 -0.57 -3.22 118.94 124.53 3pcg s TRP 104 Ca 0.08 -0.05 -0.04 0.00 -1.06 0.00 0.00 56.10 55.03 3pcg s TRP 104 Cb -0.11 -1.48 -0.01 0.00 -1.16 0.00 0.00 33.47 30.72 3pcg s TRP 104 CO -0.00 0.52 0.06 0.95 -4.06 0.00 0.00 176.95 174.42 3pcg s THR 105 N -1.85 0.11 -0.06 0.66 -4.23 -1.26 -2.35 115.64 106.65 3pcg s THR 105 Ca 0.31 -0.88 -0.07 0.00 -1.18 0.00 0.00 61.69 59.88 3pcg s THR 105 Cb -0.09 -0.46 0.02 0.00 1.34 0.00 0.00 72.50 73.30 3pcg s THR 105 CO 0.23 -0.48 0.18 -0.22 -0.54 0.00 0.00 174.62 173.79 3pcg s LEU 106 N -1.58 1.31 -0.30 4.79 2.96 -0.27 -4.82 118.68 120.77 3pcg s LEU 106 Ca -0.13 0.33 -0.03 0.00 -0.22 0.00 0.00 54.13 54.08 3pcg s LEU 106 Cb -0.07 0.64 0.04 0.00 0.50 0.00 0.00 46.19 47.30 3pcg s LEU 106 CO -0.01 -0.09 0.01 -1.00 -1.32 0.00 0.00 176.35 173.95 3pcg s HIS 107 N -0.01 3.22 0.00 5.38 3.76 0.23 -0.86 115.29 127.01 3pcg s HIS 107 Ca -0.01 -1.69 0.00 0.00 -0.15 0.00 0.00 55.06 53.21 3pcg s HIS 107 Cb -0.02 -2.14 0.00 0.00 1.11 0.00 0.00 32.58 31.54 3pcg s HIS 107 CO 0.00 -0.77 0.00 -2.37 -0.85 0.00 0.00 174.74 170.76 3pcg n THR 108 N 4.68 0.00 -4.52 1.30 5.66 -0.54 -0.97 114.28 119.89 3pcg n THR 108 Ca -0.14 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.61 3pcg n THR 108 Cb 0.44 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.12 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 -2.18 2.29 -0.04 1.08 -7.23 -1.26 0.89 120.40 113.96 3pcg s VAL 109 Ca 0.00 -2.17 -0.28 0.00 -1.81 0.00 0.00 61.98 57.71 3pcg s VAL 109 Cb 0.00 -2.67 -0.03 0.00 0.56 0.00 0.00 36.38 34.24 3pcg s VAL 109 CO 0.00 -0.20 0.91 -0.75 -0.31 0.00 0.00 175.10 174.75 3pcg s LYS 110 N -3.62 4.50 0.38 4.82 2.20 -0.15 -4.83 119.74 123.04 3pcg s LYS 110 Ca 0.33 1.27 -0.26 0.00 -0.36 0.00 0.00 55.97 56.95 3pcg s LYS 110 Cb 0.02 -3.48 -0.09 0.00 -1.51 0.00 0.00 37.83 32.78 3pcg s LYS 110 CO 0.17 -0.08 1.23 -1.25 -0.36 0.00 0.00 175.35 175.06 3pcg s PRO 111 N 1.17 4.11 0.78 4.03 0.04 -1.26 -4.01 135.00 139.86 3pcg s PRO 111 Ca 0.48 2.01 -0.11 0.00 0.04 0.00 0.00 61.00 63.41 3pcg s PRO 111 Cb -0.20 -2.80 0.06 0.00 0.04 0.00 0.00 34.50 31.60 3pcg s PRO 111 CO 0.24 -0.32 1.10 0.20 0.04 0.00 0.00 177.00 178.25 3pcg s GLY 112 N -0.88 1.62 0.28 0.56 0.00 0.35 -4.72 107.32 104.53 3pcg s GLY 112 Ca 0.55 -0.25 -0.28 0.00 0.00 0.00 0.00 44.72 44.74 3pcg s GLY 112 CO 0.45 0.17 0.94 0.14 0.00 0.00 0.00 173.10 174.80 3pcg s VAL 113 N -3.20 4.13 0.08 1.40 1.01 -1.26 -4.35 120.40 118.20 3pcg s VAL 113 Ca 0.60 1.98 0.04 0.00 0.00 0.00 0.00 61.98 64.60 3pcg s VAL 113 Cb -0.14 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.02 3pcg s VAL 113 CO 0.54 0.34 -0.12 0.68 0.00 0.00 0.00 175.10 176.54 3pcg s VAL 114 N -1.37 1.02 0.22 2.92 -7.23 -1.25 -4.50 120.40 110.20 3pcg s VAL 114 Ca 0.45 -1.42 -0.07 0.00 -1.81 0.00 0.00 61.98 59.13 3pcg s VAL 114 Cb -0.23 -1.14 -0.06 0.00 0.56 0.00 0.00 36.38 35.51 3pcg s VAL 114 CO 0.28 -0.36 0.50 0.20 -0.31 0.00 0.00 175.10 175.41 3pcg s ASN 115 N -2.00 6.55 1.03 4.85 -0.87 -1.26 -0.19 114.94 123.05 3pcg s ASN 115 Ca 0.00 0.78 -0.11 0.00 -1.57 0.00 0.00 52.86 51.96 3pcg s ASN 115 Cb -0.07 -2.17 0.15 0.00 -0.02 0.00 0.00 41.25 39.14 3pcg s ASN 115 CO 0.02 -0.06 0.81 -0.46 -2.57 0.00 0.00 177.10 174.84 3pcg n ASN 116 N -0.24 -0.23 0.21 -1.22 6.94 0.42 -4.86 115.26 116.28 3pcg n ASN 116 Ca -0.01 -1.24 0.06 0.00 -0.02 0.00 0.00 54.58 53.37 3pcg n ASN 116 Cb 0.52 -0.64 0.52 0.00 -2.36 0.00 0.00 39.78 37.83 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 -1.97 1.77 -0.06 -2.53 0.00 -1.99 -1.90 119.26 112.58 3pcg h ALA 117 Ca -0.27 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3pcg h ALA 117 Cb 0.75 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3pcg h ALA 117 CO 0.19 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.62 3pcg n ALA 118 N -2.51 2.57 -0.74 0.00 0.00 -1.26 -4.90 120.51 113.67 3pcg n ALA 118 Ca -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.17 3pcg n ALA 118 Cb 0.19 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 0.88 0.77 3.75 0.00 0.00 -0.71 -5.04 105.19 104.83 3pcg n GLY 119 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.86 4.92 0.19 1.61 1.01 -1.26 -4.72 120.40 119.29 3pcg s VAL 120 Ca 0.00 1.34 -0.30 0.00 0.00 0.00 0.00 61.98 63.02 3pcg s VAL 120 Cb 0.00 -3.98 -0.08 0.00 0.00 0.00 0.00 36.38 32.32 3pcg s VAL 120 CO 0.00 0.37 1.21 -2.16 0.00 0.00 0.00 175.10 174.52 3pcg s PRO 121 N 0.07 4.48 0.13 2.72 0.04 -1.26 0.16 135.00 141.33 3pcg s PRO 121 Ca 0.33 1.91 -0.01 0.00 0.04 0.00 0.00 61.00 63.28 3pcg s PRO 121 Cb -0.18 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.09 3pcg s PRO 121 CO 0.18 -0.10 0.30 -1.64 0.04 0.00 0.00 177.00 175.78 3pcg s MET 122 N -0.31 3.49 0.70 4.56 -1.94 0.74 -4.53 119.30 122.00 3pcg s MET 122 Ca 0.53 -0.38 -0.14 0.00 -1.71 0.00 0.00 55.69 53.99 3pcg s MET 122 Cb -0.33 -2.94 0.02 0.00 2.01 0.00 0.00 34.83 33.59 3pcg s MET 122 CO 0.38 0.52 1.11 0.00 -0.01 0.00 0.00 175.02 177.01 3pcg s ALA 123 N -1.67 2.37 0.17 3.03 0.00 -1.26 -3.95 121.76 120.46 3pcg s ALA 123 Ca 0.37 0.50 -0.34 0.00 0.00 0.00 0.00 51.96 52.49 3pcg s ALA 123 Cb -0.12 -3.32 -0.14 0.00 0.00 0.00 0.00 23.12 19.54 3pcg s ALA 123 CO 0.28 -1.47 1.50 -2.30 0.00 0.00 0.00 175.76 173.77 3pcg n PRO 124 N -2.75 1.98 -3.58 0.00 -0.02 -1.26 -4.87 135.00 124.51 3pcg n PRO 124 Ca 0.10 0.71 -0.12 0.00 -2.02 0.00 0.00 63.50 62.18 3pcg n PRO 124 Cb 0.52 -2.44 -0.04 0.00 -0.02 0.00 0.00 33.50 31.52 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 0.60 -0.33 -0.16 6.00 -3.43 -1.26 -4.30 115.29 112.41 3pcg s HIS 125 Ca 0.77 0.14 -0.00 0.00 -0.80 0.00 0.00 55.06 55.16 3pcg s HIS 125 Cb -0.71 0.34 -0.00 0.00 -1.43 0.00 0.00 32.58 30.78 3pcg s HIS 125 CO 0.42 -0.71 -0.14 0.42 -2.00 0.00 0.00 174.74 172.73 3pcg s ILE 126 N -3.38 2.80 0.08 -5.38 1.01 -0.38 -4.62 121.20 111.33 3pcg s ILE 126 Ca 0.00 -0.72 -0.29 0.00 0.00 0.00 0.00 60.65 59.64 3pcg s ILE 126 Cb 0.00 -2.19 -0.05 0.00 0.01 0.00 0.00 42.46 40.23 3pcg s ILE 126 CO -0.09 0.51 0.92 0.20 0.00 0.00 0.00 174.94 176.48 3pcg s ASN 127 N 0.77 7.42 0.01 3.58 0.01 0.11 -0.76 114.94 126.08 3pcg s ASN 127 Ca -0.05 1.70 0.05 0.00 -0.71 0.00 0.00 52.86 53.85 3pcg s ASN 127 Cb -0.15 -2.56 -0.02 0.00 0.41 0.00 0.00 41.25 38.93 3pcg s ASN 127 CO 0.01 -0.07 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.73 3pcg s ILE 128 N 0.12 1.32 -0.07 0.60 1.01 -0.10 -1.04 121.20 123.05 3pcg s ILE 128 Ca 0.46 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 60.27 3pcg s ILE 128 Cb -0.22 -1.14 -0.00 0.00 0.01 0.00 0.00 42.46 41.11 3pcg s ILE 128 CO 0.28 0.24 -0.20 -0.44 0.00 0.00 0.00 174.94 174.81 3pcg s SER 129 N -0.75 2.60 -0.06 3.58 0.01 -0.48 -1.25 113.70 117.35 3pcg s SER 129 Ca 0.05 -0.44 0.04 0.00 1.31 0.00 0.00 55.95 56.91 3pcg s SER 129 Cb -0.07 -0.93 -0.02 0.00 0.21 0.00 0.00 66.02 65.21 3pcg s SER 129 CO 0.00 0.16 -0.18 -0.22 0.41 0.00 0.00 173.24 173.42 3pcg s LEU 130 N 0.18 2.51 0.06 2.44 2.96 0.74 -1.79 118.68 125.78 3pcg s LEU 130 Ca -0.10 -0.32 0.06 0.00 -0.22 0.00 0.00 54.13 53.55 3pcg s LEU 130 Cb -0.15 -1.50 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 3pcg s LEU 130 CO 0.05 0.29 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.85 3pcg s PHE 131 N -0.42 1.34 -0.22 5.38 0.40 0.52 -1.87 117.98 123.11 3pcg s PHE 131 Ca 0.05 -0.41 -0.37 0.00 -0.60 0.00 0.00 56.93 55.60 3pcg s PHE 131 Cb -0.12 -0.76 0.15 0.00 0.51 0.00 0.00 43.02 42.80 3pcg s PHE 131 CO 0.02 0.07 1.36 0.00 0.70 0.00 0.00 175.22 177.37 3pcg s ALA 132 N -1.10 -2.24 0.50 5.36 0.00 -1.26 -0.68 121.76 122.34 3pcg s ALA 132 Ca 0.01 1.62 -0.23 0.00 0.00 0.00 0.00 51.96 53.35 3pcg s ALA 132 Cb -0.09 -0.19 -0.06 0.00 0.00 0.00 0.00 23.12 22.77 3pcg s ALA 132 CO 0.02 -0.68 1.40 -0.98 0.00 0.00 0.00 175.76 175.53 3pcg s ARG 133 N -2.12 3.38 0.00 0.00 1.70 -1.25 -1.85 118.95 118.82 3pcg s ARG 133 Ca 0.12 2.35 0.00 0.00 -0.47 0.00 0.00 55.73 57.73 3pcg s ARG 133 Cb 0.01 -2.44 0.00 0.00 -0.57 0.00 0.00 34.95 31.94 3pcg s ARG 133 CO -0.04 -1.04 0.00 0.41 -1.08 0.00 0.00 175.30 173.56 3pcg n GLY 134 N 0.66 1.31 3.11 3.88 0.00 -1.26 -4.96 105.19 107.92 3pcg n GLY 134 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.14 2.62 0.25 -0.61 1.01 -0.77 -4.99 121.20 115.57 3pcg s ILE 135 Ca 0.00 -1.64 -0.02 0.00 0.00 0.00 0.00 60.65 58.98 3pcg s ILE 135 Cb 0.00 -2.59 0.09 0.00 0.01 0.00 0.00 42.46 39.96 3pcg s ILE 135 CO 0.00 -0.18 1.72 0.78 0.00 0.00 0.00 174.94 177.26 3pcg h ASN 136 N 7.87 0.74 -3.61 3.58 2.35 -1.91 -3.34 115.58 121.26 3pcg h ASN 136 Ca -0.18 -0.21 -0.34 0.00 -0.55 0.00 0.00 56.30 55.03 3pcg h ASN 136 Cb 1.05 -0.20 -0.32 0.00 0.05 0.00 0.00 38.32 38.90 3pcg h ASN 136 CO 0.52 0.86 -0.75 -0.51 -1.65 0.00 0.00 177.43 175.90 3pcg s ILE 137 N -4.83 0.26 0.63 2.81 2.07 -1.26 -2.83 121.20 118.05 3pcg s ILE 137 Ca -0.09 -0.02 -0.18 0.00 -1.41 0.00 0.00 60.65 58.95 3pcg s ILE 137 Cb 0.14 -0.30 -0.03 0.00 0.13 0.00 0.00 42.46 42.41 3pcg s ILE 137 CO 0.82 0.13 1.15 0.00 -1.91 0.00 0.00 174.94 175.13 3pcg n HIS 138 N 3.74 1.46 -3.63 3.50 1.44 -1.26 -5.00 115.22 115.47 3pcg n HIS 138 Ca -0.22 0.42 -0.36 0.00 -2.01 0.00 0.00 57.72 55.55 3pcg n HIS 138 Cb 0.53 -2.21 -0.07 0.00 0.12 0.00 0.00 29.99 28.36 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 -3.38 4.29 -0.13 2.39 1.43 -0.78 -4.89 118.68 117.60 3pcg s LEU 139 Ca 0.80 0.49 -0.06 0.00 -1.03 0.00 0.00 54.13 54.34 3pcg s LEU 139 Cb -0.39 -2.28 -0.04 0.00 0.03 0.00 0.00 46.19 43.50 3pcg s LEU 139 CO 0.43 0.19 0.07 -1.00 0.23 0.00 0.00 176.35 176.27 3pcg s HIS 140 N 0.03 3.34 0.32 0.29 3.76 -1.26 -0.18 115.29 121.58 3pcg s HIS 140 Ca 0.15 0.27 -0.09 0.00 -0.15 0.00 0.00 55.06 55.24 3pcg s HIS 140 Cb -0.13 -1.94 0.01 0.00 1.11 0.00 0.00 32.58 31.63 3pcg s HIS 140 CO 0.04 0.45 0.53 -0.08 -0.85 0.00 0.00 174.74 174.83 3pcg s THR 141 N -0.49 0.00 0.03 1.30 -1.32 -0.38 -0.04 115.64 114.75 3pcg s THR 141 Ca 0.10 -1.42 0.03 0.00 -1.21 0.00 0.00 61.69 59.19 3pcg s THR 141 Cb -0.12 -2.52 -0.02 0.00 -1.51 0.00 0.00 72.50 68.33 3pcg s THR 141 CO 0.02 0.00 -0.10 -0.13 -2.21 0.00 0.00 174.62 172.20 3pcg s ARG 142 N -3.28 0.65 -0.22 7.08 0.52 -1.26 -0.92 118.95 121.53 3pcg s ARG 142 Ca 0.25 -0.63 -0.06 0.00 -0.52 0.00 0.00 55.73 54.77 3pcg s ARG 142 Cb -0.01 -0.56 -0.03 0.00 0.52 0.00 0.00 34.95 34.87 3pcg s ARG 142 CO 0.15 0.13 0.03 -1.17 0.02 0.00 0.00 175.30 174.45 3pcg s LEU 143 N -1.09 3.37 0.34 2.53 0.20 0.06 -4.77 118.68 119.32 3pcg s LEU 143 Ca -0.03 -0.18 0.09 0.00 0.69 0.00 0.00 54.13 54.70 3pcg s LEU 143 Cb -0.07 -1.87 -0.05 0.00 -0.43 0.00 0.00 46.19 43.76 3pcg s LEU 143 CO 0.01 0.04 0.02 -0.31 -0.29 0.00 0.00 176.35 175.81 3pcg s TYR 144 N 1.15 2.54 -0.12 5.38 1.51 0.20 -1.24 117.35 126.78 3pcg s TYR 144 Ca 0.03 -0.45 -0.02 0.00 -1.01 0.00 0.00 57.07 55.62 3pcg s TYR 144 Cb -0.14 -1.51 -0.03 0.00 -0.11 0.00 0.00 41.96 40.16 3pcg s TYR 144 CO 0.02 0.47 -0.04 -0.06 -1.11 0.00 0.00 175.55 174.83 3pcg s PHE 145 N -2.53 3.02 0.46 2.71 0.40 -1.26 0.16 117.98 120.95 3pcg s PHE 145 Ca 0.35 -0.11 0.22 0.00 -0.60 0.00 0.00 56.93 56.79 3pcg s PHE 145 Cb 0.00 -1.85 1.32 0.00 0.51 0.00 0.00 43.02 43.00 3pcg s PHE 145 CO 0.19 0.17 2.07 0.38 0.70 0.00 0.00 175.22 178.74 3pcg h ASP 146 N 5.97 0.00 -0.17 1.36 2.03 -1.48 -2.65 116.42 121.48 3pcg h ASP 146 Ca -0.40 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 55.85 3pcg h ASP 146 Cb 1.19 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.66 3pcg h ASP 146 CO 0.58 0.12 0.06 -0.90 -1.03 0.00 0.00 179.24 178.08 3pcg n ASP 147 N -3.99 2.54 -2.25 4.15 5.68 -1.26 -3.70 116.55 117.73 3pcg n ASP 147 Ca -0.02 -2.27 0.01 0.00 -0.50 0.00 0.00 54.79 52.00 3pcg n ASP 147 Cb 0.21 -0.56 0.04 0.00 -1.14 0.00 0.00 41.12 39.68 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 0.14 1.11 -0.28 0.11 -0.58 -1.00 -4.93 120.64 115.22 3pcg n GLU 148 Ca 0.09 -2.94 0.05 0.00 -0.42 0.00 0.00 57.16 53.95 3pcg n GLU 148 Cb 0.59 -1.01 0.15 0.00 -0.57 0.00 0.00 31.44 30.61 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 1.94 0.74 -0.41 0.62 0.00 -1.76 0.25 119.26 120.64 3pcg h ALA 149 Ca -0.16 0.28 0.08 0.00 0.00 0.00 0.00 54.91 55.11 3pcg h ALA 149 Cb 1.52 0.51 -0.07 0.00 0.00 0.00 0.00 17.79 19.74 3pcg h ALA 149 CO 0.16 -0.43 -0.03 1.96 0.00 0.00 0.00 179.25 180.91 3pcg h GLN 150 N 0.05 0.07 -0.21 0.00 4.20 -1.93 0.21 115.11 117.50 3pcg h GLN 150 Ca 0.43 -0.00 -0.12 0.00 0.06 0.00 0.00 58.65 59.01 3pcg h GLN 150 Cb 0.74 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.50 3pcg h GLN 150 CO -0.75 0.05 -0.35 0.00 -0.67 0.00 0.00 178.83 177.11 3pcg h ALA 151 N 1.37 0.33 -0.98 3.87 0.00 -1.51 -3.12 119.26 119.23 3pcg h ALA 151 Ca 0.20 -0.43 0.14 0.00 0.00 0.00 0.00 54.91 54.82 3pcg h ALA 151 Cb 0.29 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.93 3pcg h ALA 151 CO -0.36 0.39 0.60 -0.91 0.00 0.00 0.00 179.25 178.96 3pcg h ASN 152 N 0.30 0.83 -0.11 0.00 2.35 -0.07 -0.45 115.58 118.43 3pcg h ASN 152 Ca 0.02 0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 3pcg h ASN 152 Cb 0.94 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.20 3pcg h ASN 152 CO 0.08 0.40 0.02 0.00 -1.65 0.00 0.00 177.43 176.28 3pcg h ALA 153 N 1.56 1.69 -0.05 -0.83 0.00 -0.53 -2.63 119.26 118.46 3pcg h ALA 153 Ca 0.51 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3pcg h ALA 153 Cb 0.60 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3pcg h ALA 153 CO -0.30 0.24 0.00 1.63 0.00 0.00 0.00 179.25 180.82 3pcg n LYS 154 N -4.40 2.21 -1.92 0.00 5.02 -0.33 -4.92 118.16 113.83 3pcg n LYS 154 Ca -0.00 -1.77 -0.42 0.00 -2.02 0.00 0.00 58.31 54.10 3pcg n LYS 154 Cb 0.16 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.68 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 7.87 0.00 0.01 0.00 0.13 -1.91 -0.05 132.00 138.04 3pcg h PRO 156 Ca -0.43 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.68 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 0.93 0.18 -0.09 0.28 -0.23 0.00 0.00 178.00 179.06 3pcg h VAL 157 N 0.00 1.75 -0.49 1.56 2.07 -1.95 -3.21 116.25 115.98 3pcg h VAL 157 Ca -0.00 -2.35 0.03 0.00 0.82 0.00 0.00 66.70 65.20 3pcg h VAL 157 Cb 0.44 3.34 -0.03 0.00 -1.52 0.00 0.00 31.29 33.52 3pcg h VAL 157 CO 0.02 0.60 0.33 0.25 0.02 0.00 0.00 177.57 178.79 3pcg h LEU 158 N -0.97 0.48 -0.67 2.57 5.85 -1.87 0.99 115.31 121.68 3pcg h LEU 158 Ca -0.02 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3pcg h LEU 158 Cb 1.04 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.96 3pcg h LEU 158 CO -0.00 0.33 0.00 0.78 -0.34 0.00 0.00 178.44 179.21 3pcg h ASN 159 N 0.56 0.00 1.46 1.25 2.35 -1.09 -2.20 115.58 117.91 3pcg h ASN 159 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 3pcg h ASN 159 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.47 3pcg h ASN 159 CO -0.05 0.00 0.00 -0.07 -1.65 0.00 0.00 177.43 175.66 3pcg h LEU 160 N 0.00 0.00 -8.93 1.61 3.38 -0.79 -3.43 115.31 107.15 3pcg h LEU 160 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 3pcg h LEU 160 Cb 0.42 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.10 3pcg h LEU 160 CO 0.00 0.00 0.80 -0.63 0.09 0.00 0.00 178.44 178.70 3pcg s ILE 161 N -3.13 4.52 0.14 1.22 1.01 -0.83 -4.93 121.20 119.20 3pcg s ILE 161 Ca 0.10 1.63 -0.30 0.00 0.00 0.00 0.00 60.65 62.08 3pcg s ILE 161 Cb 0.11 -4.40 -0.08 0.00 0.01 0.00 0.00 42.46 38.10 3pcg s ILE 161 CO 0.59 -0.49 1.51 -0.33 0.00 0.00 0.00 174.94 176.22 3pcg h GLU 162 N 8.17 -0.17 -5.31 2.79 5.08 -1.88 -3.40 114.58 119.85 3pcg h GLU 162 Ca -0.21 0.01 -0.63 0.00 -1.00 0.00 0.00 59.36 57.53 3pcg h GLU 162 Cb 1.06 0.04 -0.14 0.00 0.50 0.00 0.00 28.75 30.22 3pcg h GLU 162 CO 1.02 -0.12 -0.03 -0.65 -1.00 0.00 0.00 179.01 178.24 3pcg s GLN 163 N -5.42 3.88 0.34 2.33 -1.52 -1.26 -4.98 119.66 113.02 3pcg s GLN 163 Ca -0.12 0.12 0.12 0.00 -1.95 0.00 0.00 55.36 53.53 3pcg s GLN 163 Cb 0.09 -3.72 0.98 0.00 -0.22 0.00 0.00 33.01 30.14 3pcg s GLN 163 CO 0.58 -0.48 1.71 -1.35 -0.25 0.00 0.00 175.29 175.51 3pcg h PRO 164 N 8.22 0.47 -0.08 2.91 0.11 -1.98 0.97 132.00 142.62 3pcg h PRO 164 Ca -0.28 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.79 3pcg h PRO 164 Cb 1.13 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3pcg h PRO 164 CO 0.74 0.31 0.01 1.96 -0.21 0.00 0.00 178.00 180.81 3pcg h GLN 165 N 0.48 0.11 -0.04 1.05 7.50 -1.95 -1.67 115.11 120.59 3pcg h GLN 165 Ca 0.67 -0.01 -0.14 0.00 0.50 0.00 0.00 58.65 59.67 3pcg h GLN 165 Cb 1.41 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 28.90 3pcg h GLN 165 CO -0.49 0.12 -0.62 0.00 -1.50 0.00 0.00 178.83 176.35 3pcg h ARG 166 N 0.11 0.13 -0.46 1.46 3.08 -1.20 -3.16 114.38 114.34 3pcg h ARG 166 Ca 0.03 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3pcg h ARG 166 Cb 0.06 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3pcg h ARG 166 CO -0.00 0.71 0.26 0.00 -1.07 0.00 0.00 179.97 179.86 3pcg h ARG 167 N 0.10 0.63 -0.04 0.04 3.08 -1.22 -2.10 114.38 114.87 3pcg h ARG 167 Ca -0.01 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.00 3pcg h ARG 167 Cb 1.11 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 31.02 3pcg h ARG 167 CO 0.09 0.46 0.03 0.93 -1.07 0.00 0.00 179.97 180.41 3pcg h GLU 168 N 0.64 0.00 0.00 0.04 5.08 -1.55 -2.20 114.58 116.59 3pcg h GLU 168 Ca 0.17 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 3pcg h GLU 168 Cb 0.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 3pcg h GLU 168 CO -0.03 0.00 -0.03 1.79 -1.00 0.00 0.00 179.01 179.74 3pcg h THR 169 N 0.00 0.25 -0.12 1.13 1.35 -1.53 -2.60 112.91 111.39 3pcg h THR 169 Ca 0.02 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 3pcg h THR 169 Cb 0.08 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 3pcg h THR 169 CO -0.00 0.03 0.00 0.18 -0.25 0.00 0.00 175.52 175.48 3pcg n LEU 170 N -3.38 1.95 -4.57 3.87 4.77 -0.83 -4.84 117.00 113.98 3pcg n LEU 170 Ca -0.02 -0.74 -0.39 0.00 -0.03 0.00 0.00 56.01 54.83 3pcg n LEU 170 Cb 0.15 -0.07 -0.11 0.00 -2.33 0.00 0.00 43.42 41.07 3pcg n LEU 170 CO 0.25 0.37 -0.12 -0.63 -1.33 0.00 0.00 177.39 175.93 3pcg s ILE 171 N -1.86 5.28 0.18 -0.08 1.01 -0.98 -0.63 121.20 124.12 3pcg s ILE 171 Ca 0.35 0.11 -0.30 0.00 0.00 0.00 0.00 60.65 60.81 3pcg s ILE 171 Cb 0.20 -3.62 -0.08 0.00 0.01 0.00 0.00 42.46 38.97 3pcg s ILE 171 CO 0.30 0.15 1.00 0.00 0.00 0.00 0.00 174.94 176.39 3pcg s ALA 172 N 1.80 3.32 -0.27 9.38 0.00 0.43 -4.84 121.76 131.59 3pcg s ALA 172 Ca 0.08 0.68 -0.17 0.00 0.00 0.00 0.00 51.96 52.55 3pcg s ALA 172 Cb -0.16 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 3pcg s ALA 172 CO 0.11 -0.01 0.48 0.15 0.00 0.00 0.00 175.76 176.48 3pcg s LYS 173 N -0.59 4.04 0.32 0.00 1.02 -0.56 -1.21 119.74 122.77 3pcg s LYS 173 Ca 0.45 0.23 -0.29 0.00 0.02 0.00 0.00 55.97 56.39 3pcg s LYS 173 Cb -0.27 -3.66 -0.11 0.00 -0.52 0.00 0.00 37.83 33.28 3pcg s LYS 173 CO 0.33 -0.34 1.44 0.50 -0.92 0.00 0.00 175.35 176.36 3pcg s ARG 174 N 2.25 4.22 0.00 1.68 3.52 -1.26 -1.19 118.95 128.16 3pcg s ARG 174 Ca 0.19 2.41 0.00 0.00 -0.13 0.00 0.00 55.73 58.21 3pcg s ARG 174 Cb -0.16 -3.04 0.00 0.00 -1.56 0.00 0.00 34.95 30.20 3pcg s ARG 174 CO 0.09 -0.43 0.00 0.00 -0.81 0.00 0.00 175.30 174.16 3pcg s GLU 176 N -1.31 0.29 -0.21 0.00 2.12 -1.26 -1.31 118.70 117.03 3pcg s GLU 176 Ca 0.00 0.55 0.01 0.00 0.36 0.00 0.00 54.97 55.90 3pcg s GLU 176 Cb 0.00 -0.01 0.04 0.00 0.26 0.00 0.00 34.13 34.42 3pcg s GLU 176 CO 0.00 -0.12 -0.13 0.08 -0.54 0.00 0.00 175.26 174.55 3pcg s VAL 177 N 0.95 1.88 -1.25 3.70 1.01 0.28 -4.67 120.40 122.31 3pcg s VAL 177 Ca -0.06 -1.18 -0.01 0.00 0.00 0.00 0.00 61.98 60.73 3pcg s VAL 177 Cb -0.07 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.40 3pcg s VAL 177 CO -0.07 0.19 0.95 0.47 0.00 0.00 0.00 175.10 176.64 3pcg n ASP 178 N 4.60 -2.29 -1.48 3.32 8.00 -1.26 -0.40 116.55 127.03 3pcg n ASP 178 Ca -0.16 -0.66 -0.16 0.00 0.71 0.00 0.00 54.79 54.52 3pcg n ASP 178 Cb 0.46 -4.85 -0.07 0.00 -0.02 0.00 0.00 41.12 36.64 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 -1.32 1.52 3.63 0.44 0.00 -1.26 -4.93 105.19 103.27 3pcg n GLY 179 Ca -0.26 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.40 2.73 -0.01 1.61 2.47 0.46 -5.07 119.74 118.54 3pcg s LYS 180 Ca 0.00 -0.60 -0.30 0.00 -1.56 0.00 0.00 55.97 53.51 3pcg s LYS 180 Cb 0.00 -2.62 -0.07 0.00 -1.46 0.00 0.00 37.83 33.69 3pcg s LYS 180 CO 0.00 0.64 1.66 0.99 0.16 0.00 0.00 175.35 178.80 3pcg s THR 181 N -0.97 3.39 0.16 3.43 2.01 -1.26 1.00 115.64 123.40 3pcg s THR 181 Ca 0.16 0.62 0.01 0.00 0.31 0.00 0.00 61.69 62.79 3pcg s THR 181 Cb -0.11 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 68.95 3pcg s THR 181 CO 0.06 -0.04 0.01 0.00 -0.69 0.00 0.00 174.62 173.97 3pcg s ALA 182 N 3.53 1.19 -0.04 7.40 0.00 -0.43 -1.47 121.76 131.96 3pcg s ALA 182 Ca 0.74 -1.54 -0.01 0.00 0.00 0.00 0.00 51.96 51.14 3pcg s ALA 182 Cb -0.36 0.59 0.03 0.00 0.00 0.00 0.00 23.12 23.38 3pcg s ALA 182 CO 0.31 -0.36 0.08 0.71 0.00 0.00 0.00 175.76 176.50 3pcg s TYR 183 N -3.75 -0.06 -0.17 0.00 1.51 -0.58 -0.30 117.35 114.00 3pcg s TYR 183 Ca 0.23 0.26 -0.07 0.00 -1.01 0.00 0.00 57.07 56.48 3pcg s TYR 183 Cb 0.06 -0.13 -0.04 0.00 -0.11 0.00 0.00 41.96 41.74 3pcg s TYR 183 CO 0.03 -0.10 0.05 0.50 -1.11 0.00 0.00 175.55 174.91 3pcg s ARG 184 N 0.89 3.91 -0.27 -0.62 3.52 -0.33 -1.96 118.95 124.09 3pcg s ARG 184 Ca -0.07 -0.35 -0.02 0.00 -0.13 0.00 0.00 55.73 55.15 3pcg s ARG 184 Cb -0.10 -3.17 0.09 0.00 -1.56 0.00 0.00 34.95 30.21 3pcg s ARG 184 CO -0.03 0.30 0.09 0.12 -0.81 0.00 0.00 175.30 174.97 3pcg s PHE 185 N 0.29 1.05 -0.06 5.12 5.36 -0.20 -1.49 117.98 128.06 3pcg s PHE 185 Ca 0.03 -1.21 -0.12 0.00 -0.96 0.00 0.00 56.93 54.67 3pcg s PHE 185 Cb -0.12 -1.26 -0.05 0.00 -0.34 0.00 0.00 43.02 41.24 3pcg s PHE 185 CO 0.00 -0.79 0.30 -0.51 -1.46 0.00 0.00 175.22 172.76 3pcg s ASP 186 N 1.84 6.63 -0.15 6.13 1.01 -1.26 -3.99 116.67 126.88 3pcg s ASP 186 Ca 0.07 0.75 -0.04 0.00 0.71 0.00 0.00 52.55 54.03 3pcg s ASP 186 Cb -0.17 -2.18 -0.03 0.00 1.01 0.00 0.00 42.92 41.56 3pcg s ASP 186 CO -0.25 0.34 -0.02 -0.63 0.21 0.00 0.00 175.17 174.82 3pcg s ILE 187 N -0.95 4.03 -0.32 0.77 1.01 -0.22 -4.97 121.20 120.54 3pcg s ILE 187 Ca 0.20 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.56 3pcg s ILE 187 Cb -0.15 -2.77 0.08 0.00 0.01 0.00 0.00 42.46 39.64 3pcg s ILE 187 CO 0.09 0.50 0.02 -0.13 0.00 0.00 0.00 174.94 175.42 3pcg s ARG 188 N 0.25 1.90 0.18 2.79 0.52 -1.26 -0.83 118.95 122.51 3pcg s ARG 188 Ca -0.02 -1.63 -0.13 0.00 -0.52 0.00 0.00 55.73 53.43 3pcg s ARG 188 Cb -0.14 -3.16 0.10 0.00 0.52 0.00 0.00 34.95 32.27 3pcg s ARG 188 CO 0.02 -0.81 1.84 0.82 0.02 0.00 0.00 175.30 177.20 3pcg h ILE 189 N 6.60 1.12 -3.80 1.52 2.04 -1.62 0.38 117.51 123.76 3pcg h ILE 189 Ca -0.12 -0.26 -0.12 0.00 1.00 0.00 0.00 64.86 65.36 3pcg h ILE 189 Cb 1.04 0.30 -0.17 0.00 -0.74 0.00 0.00 36.82 37.24 3pcg h ILE 189 CO 0.53 0.14 -0.51 -1.58 0.00 0.00 0.00 178.15 176.72 3pcg s GLN 190 N -6.14 0.60 2.36 2.37 0.74 -1.26 -4.69 119.66 113.64 3pcg s GLN 190 Ca -0.13 -0.76 0.00 0.00 0.05 0.00 0.00 55.36 54.52 3pcg s GLN 190 Cb 0.13 0.24 0.00 0.00 1.10 0.00 0.00 33.01 34.48 3pcg s GLN 190 CO 0.75 -0.15 0.00 0.41 -0.55 0.00 0.00 175.29 175.75 3pcg n GLY 191 N 0.72 -0.38 3.69 2.59 0.00 -1.26 -4.07 105.19 106.49 3pcg n GLY 191 Ca -0.19 -1.27 -0.52 0.00 0.00 0.00 0.00 46.02 44.04 3pcg n GLY 191 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3pcg n GLU 192 N 0.00 1.76 -2.19 1.61 2.13 -1.26 -0.38 120.64 122.32 3pcg n GLU 192 Ca 0.00 0.65 -0.12 0.00 0.66 0.00 0.00 57.16 58.35 3pcg n GLU 192 Cb 0.00 -2.43 -0.01 0.00 0.27 0.00 0.00 31.44 29.27 3pcg n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3pcg n GLY 193 N 4.36 -0.06 3.64 8.31 0.00 -1.26 -4.92 105.19 115.26 3pcg n GLY 193 Ca 0.24 -0.38 -0.50 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 -2.18 1.59 -2.06 1.61 2.13 0.49 -4.64 120.64 117.58 3pcg n GLU 194 Ca -0.14 0.58 -0.40 0.00 0.66 0.00 0.00 57.16 57.85 3pcg n GLU 194 Cb 0.60 -2.28 -0.01 0.00 0.27 0.00 0.00 31.44 30.01 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 1.17 2.62 0.15 6.31 2.01 0.13 -4.97 115.64 123.06 3pcg s THR 195 Ca 0.84 0.59 -0.30 0.00 0.31 0.00 0.00 61.69 63.13 3pcg s THR 195 Cb -0.84 -3.36 -0.07 0.00 0.01 0.00 0.00 72.50 68.23 3pcg s THR 195 CO 0.45 0.11 1.21 -0.69 -0.69 0.00 0.00 174.62 175.02 3pcg s VAL 196 N -1.21 3.65 0.03 3.82 1.01 -1.26 -4.92 120.40 121.52 3pcg s VAL 196 Ca 0.54 1.32 0.07 0.00 0.00 0.00 0.00 61.98 63.91 3pcg s VAL 196 Cb -0.39 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 3pcg s VAL 196 CO 0.51 0.18 -0.20 -0.36 0.00 0.00 0.00 175.10 175.23 3pcg s PHE 197 N 0.28 1.79 0.34 5.22 0.08 -1.26 -4.68 117.98 119.75 3pcg s PHE 197 Ca 0.55 -0.37 0.07 0.00 0.12 0.00 0.00 56.93 57.31 3pcg s PHE 197 Cb -0.32 -1.08 -0.02 0.00 -0.57 0.00 0.00 43.02 41.02 3pcg s PHE 197 CO 0.34 0.07 0.35 -0.06 -0.10 0.00 0.00 175.22 175.82 3pcg s PHE 198 N -0.74 2.94 -0.04 0.36 0.08 0.95 -4.99 117.98 116.55 3pcg s PHE 198 Ca 0.07 -0.30 0.01 0.00 0.12 0.00 0.00 56.93 56.84 3pcg s PHE 198 Cb -0.09 -1.89 0.02 0.00 -0.57 0.00 0.00 43.02 40.50 3pcg s PHE 198 CO 0.01 0.10 -0.04 0.34 -0.10 0.00 0.00 175.22 175.53 3pcg s ASP 199 N -4.06 0.80 0.00 1.36 2.15 -1.26 -4.32 116.67 111.34 3pcg s ASP 199 Ca 0.43 -0.11 0.00 0.00 0.43 0.00 0.00 52.55 53.30 3pcg s ASP 199 Cb -0.07 -0.36 0.00 0.00 -0.30 0.00 0.00 42.92 42.20 3pcg s ASP 199 CO 0.28 -0.04 0.00 2.22 -0.17 0.00 0.00 175.17 177.46