#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 3.76 -0.04 4.25 -1.09 -1.26 -5.04 121.20 121.78 3pcg s ILE 2 Ca 0.00 1.59 0.04 0.00 -2.23 0.00 0.00 60.65 60.05 3pcg s ILE 2 Cb 0.00 -4.01 -0.00 0.00 -1.58 0.00 0.00 42.46 36.87 3pcg s ILE 2 CO 0.00 0.31 -0.14 -1.61 -1.23 0.00 0.00 174.94 172.26 3pcg s GLU 3 N -0.69 1.48 0.31 2.79 0.41 -1.26 -5.15 118.70 116.59 3pcg s GLU 3 Ca 0.48 -0.50 0.05 0.00 -0.41 0.00 0.00 54.97 54.59 3pcg s GLU 3 Cb -0.30 -1.31 0.05 0.00 -1.78 0.00 0.00 34.13 30.79 3pcg s GLU 3 CO 0.36 0.20 0.43 1.28 -0.49 0.00 0.00 175.26 177.04 3pcg n LEU 4 N 3.19 0.00 -4.76 1.80 4.32 -1.26 -5.05 117.00 115.25 3pcg n LEU 4 Ca -0.18 -1.33 -0.41 0.00 -0.02 0.00 0.00 56.01 54.07 3pcg n LEU 4 Cb 0.53 -0.23 -0.02 0.00 -1.62 0.00 0.00 43.42 42.08 3pcg n LEU 4 CO 0.25 -0.62 1.03 -0.76 -1.22 0.00 0.00 177.39 176.08 3pcg s LEU 5 N 0.00 4.41 0.53 2.23 1.43 -1.26 -4.97 118.68 121.05 3pcg s LEU 5 Ca 0.33 2.65 -0.20 0.00 -1.03 0.00 0.00 54.13 55.88 3pcg s LEU 5 Cb -0.03 -3.63 -0.07 0.00 0.03 0.00 0.00 46.19 42.49 3pcg s LEU 5 CO 0.21 -0.61 1.11 -2.16 0.23 0.00 0.00 176.35 175.12 3pcg s PRO 6 N -1.00 3.48 0.35 1.29 0.04 -1.26 -5.00 135.00 132.90 3pcg s PRO 6 Ca 0.54 1.55 -0.26 0.00 0.04 0.00 0.00 61.00 62.87 3pcg s PRO 6 Cb -0.40 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.01 3pcg s PRO 6 CO 0.47 -0.73 1.01 -2.00 0.04 0.00 0.00 177.00 175.79 3pcg s GLU 7 N -3.26 4.43 0.19 4.56 2.12 -1.26 -4.96 118.70 120.51 3pcg s GLU 7 Ca 0.71 1.46 -0.33 0.00 0.36 0.00 0.00 54.97 57.18 3pcg s GLU 7 Cb -0.22 -2.75 -0.13 0.00 0.26 0.00 0.00 34.13 31.29 3pcg s GLU 7 CO 0.25 0.11 1.66 2.41 -0.54 0.00 0.00 175.26 179.15 3pcg n THR 8 N 0.40 0.03 -2.18 -1.70 -1.04 -1.26 -4.91 114.28 103.62 3pcg n THR 8 Ca 0.03 -0.01 -0.36 0.00 -2.04 0.00 0.00 64.05 61.67 3pcg n THR 8 Cb 0.49 -1.80 0.01 0.00 -1.82 0.00 0.00 70.33 67.21 3pcg n THR 8 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3pcg s PRO 9 N 1.01 3.35 0.69 -2.82 0.04 -1.26 -5.02 135.00 130.99 3pcg s PRO 9 Ca 0.76 1.73 -0.11 0.00 0.04 0.00 0.00 61.00 63.42 3pcg s PRO 9 Cb -0.58 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 31.87 3pcg s PRO 9 CO 0.35 -0.88 1.07 0.45 0.04 0.00 0.00 177.00 178.03 3pcg s SER 10 N -1.59 5.55 0.02 6.66 0.15 -1.26 -5.09 113.70 118.14 3pcg s SER 10 Ca 0.72 1.32 -0.10 0.00 0.70 0.00 0.00 55.95 58.58 3pcg s SER 10 Cb -0.27 -2.20 0.01 0.00 -1.71 0.00 0.00 66.02 61.85 3pcg s SER 10 CO 0.31 -1.29 0.21 -1.10 1.20 0.00 0.00 173.24 172.57 3pcg s GLN 11 N -5.23 0.66 0.60 5.44 -1.52 -1.17 -4.91 119.66 113.53 3pcg s GLN 11 Ca 0.57 -0.51 -0.19 0.00 -1.95 0.00 0.00 55.36 53.29 3pcg s GLN 11 Cb -0.12 0.28 -0.04 0.00 -0.22 0.00 0.00 33.01 32.91 3pcg s GLN 11 CO 0.53 -0.19 1.12 -2.37 -0.25 0.00 0.00 175.29 174.14 3pcg n THR 12 N 0.91 4.01 0.12 -0.19 5.66 -1.21 -4.79 114.28 118.79 3pcg n THR 12 Ca -0.20 -0.50 -0.01 0.00 -3.05 0.00 0.00 64.05 60.29 3pcg n THR 12 Cb 0.58 -1.33 0.24 0.00 -1.55 0.00 0.00 70.33 68.27 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 0.70 1.14 0.00 1.79 0.00 -1.72 -3.50 119.26 117.67 3pcg h ALA 13 Ca -0.49 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 53.99 3pcg h ALA 13 Cb 1.35 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3pcg h ALA 13 CO 0.53 0.60 0.00 0.41 0.00 0.00 0.00 179.25 180.78 3pcg n GLY 14 N -0.15 -1.08 0.26 0.00 0.00 -1.26 -4.23 105.19 98.72 3pcg n GLY 14 Ca -0.02 -1.63 0.14 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.58 1.61 0.13 -1.93 -3.23 132.00 128.01 3pcg h PRO 15 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.99 3pcg h PRO 15 Cb 0.00 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.05 3pcg h PRO 15 CO 0.00 0.12 0.14 0.66 -0.23 0.00 0.00 178.00 178.69 3pcg n TYR 16 N -3.39 1.95 -0.10 1.56 4.01 -1.26 -4.62 117.16 115.31 3pcg n TYR 16 Ca -0.01 -1.11 0.22 0.00 -0.16 0.00 0.00 57.90 56.84 3pcg n TYR 16 Cb 0.31 -0.57 0.66 0.00 -0.31 0.00 0.00 39.34 39.43 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 2.50 0.68 -0.80 -0.72 3.04 -1.73 -2.08 116.25 117.14 3pcg h VAL 17 Ca 0.17 -0.03 0.06 0.00 -1.01 0.00 0.00 66.70 65.89 3pcg h VAL 17 Cb 2.03 0.58 -0.05 0.00 -2.01 0.00 0.00 31.29 31.85 3pcg h VAL 17 CO 0.56 0.02 0.52 0.45 -1.01 0.00 0.00 177.57 178.11 3pcg h HIS 18 N 0.09 0.89 -0.53 3.17 3.86 -1.86 -0.31 115.15 120.46 3pcg h HIS 18 Ca 0.34 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.57 3pcg h HIS 18 Cb 1.21 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 29.36 3pcg h HIS 18 CO -0.00 0.48 0.33 -0.84 0.86 0.00 0.00 177.93 178.76 3pcg h ILE 19 N 0.89 1.15 0.15 2.45 3.07 -1.60 0.69 117.51 124.30 3pcg h ILE 19 Ca 0.34 -0.31 -0.36 0.00 1.55 0.00 0.00 64.86 66.08 3pcg h ILE 19 Cb 0.21 0.39 -0.01 0.00 -0.27 0.00 0.00 36.82 37.14 3pcg h ILE 19 CO -0.12 0.15 -1.88 1.23 -1.05 0.00 0.00 178.15 176.48 3pcg h GLY 20 N 0.75 0.36 -0.28 0.16 0.00 -1.46 -3.42 103.07 99.19 3pcg h GLY 20 Ca 0.19 -0.92 0.00 0.00 0.00 0.00 0.00 47.33 46.60 3pcg h GLY 20 CO -0.04 0.81 0.00 1.04 0.00 0.00 0.00 176.54 178.35 3pcg n LEU 21 N -3.52 1.61 -2.83 3.11 4.77 -0.22 -4.81 117.00 115.12 3pcg n LEU 21 Ca -0.28 -1.36 -0.11 0.00 -0.03 0.00 0.00 56.01 54.23 3pcg n LEU 21 Cb 1.06 -0.02 0.06 0.00 -2.33 0.00 0.00 43.42 42.18 3pcg n LEU 21 CO 0.47 0.38 0.19 0.00 -1.33 0.00 0.00 177.39 177.10 3pcg n ALA 22 N 0.02 -0.29 -0.23 -1.18 0.00 0.23 -4.96 120.51 114.10 3pcg n ALA 22 Ca 0.02 -1.86 -0.13 0.00 0.00 0.00 0.00 53.44 51.48 3pcg n ALA 22 Cb 0.15 -1.14 -0.10 0.00 0.00 0.00 0.00 19.45 18.37 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 3.23 -1.94 -0.35 0.00 4.07 -1.67 -0.05 115.31 118.60 3pcg h LEU 23 Ca -0.07 0.27 0.07 0.00 0.08 0.00 0.00 57.88 58.23 3pcg h LEU 23 Cb 1.06 0.82 -0.09 0.00 1.08 0.00 0.00 40.66 43.53 3pcg h LEU 23 CO 0.24 -0.35 -0.37 -0.08 -1.08 0.00 0.00 178.44 176.80 3pcg h GLU 24 N -0.27 -0.31 -0.72 1.13 4.81 -1.88 -0.74 114.58 116.61 3pcg h GLU 24 Ca 0.11 0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.47 3pcg h GLU 24 Cb 0.54 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.94 3pcg h GLU 24 CO -0.71 -0.21 0.48 0.00 -0.73 0.00 0.00 179.01 177.84 3pcg h ALA 25 N 0.54 1.93 0.00 2.92 0.00 -1.46 0.52 119.26 123.69 3pcg h ALA 25 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3pcg h ALA 25 Cb 0.57 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3pcg h ALA 25 CO -0.52 -0.09 0.00 0.00 0.00 0.00 0.00 179.25 178.64 3pcg n ALA 26 N -2.49 1.98 -2.63 0.00 0.00 -0.19 -4.88 120.51 112.31 3pcg n ALA 26 Ca 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.52 3pcg n ALA 26 Cb 0.39 -1.41 0.02 0.00 0.00 0.00 0.00 19.45 18.45 3pcg n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3pcg n GLY 27 N 0.68 0.54 3.46 0.00 0.00 0.18 -5.00 105.19 105.06 3pcg n GLY 27 Ca 0.04 -0.45 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.13 3.70 0.43 1.61 0.01 -0.78 -5.03 114.94 111.74 3pcg s ASN 28 Ca 0.09 -0.70 -0.25 0.00 -0.71 0.00 0.00 52.86 51.29 3pcg s ASN 28 Cb -0.04 -0.42 -0.10 0.00 0.41 0.00 0.00 41.25 41.10 3pcg s ASN 28 CO 0.16 0.15 1.27 -0.81 -1.51 0.00 0.00 177.10 176.35 3pcg n PRO 29 N 0.50 1.90 -2.90 -0.60 -0.04 -1.26 -3.92 135.00 128.69 3pcg n PRO 29 Ca -0.14 0.68 -0.20 0.00 -0.04 0.00 0.00 63.50 63.80 3pcg n PRO 29 Cb 0.54 -2.38 0.05 0.00 -0.04 0.00 0.00 33.50 31.67 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 -1.21 2.49 0.58 0.52 -4.23 -1.26 -4.85 115.64 107.69 3pcg s THR 30 Ca 0.61 -0.89 0.07 0.00 -1.18 0.00 0.00 61.69 60.30 3pcg s THR 30 Cb -0.50 -2.60 0.08 0.00 1.34 0.00 0.00 72.50 70.82 3pcg s THR 30 CO 0.58 0.00 0.80 -0.13 -0.54 0.00 0.00 174.62 175.33 3pcg s ARG 31 N -4.66 2.26 0.16 3.99 0.52 -1.26 -5.02 118.95 114.94 3pcg s ARG 31 Ca 0.60 -1.41 -0.17 0.00 -0.52 0.00 0.00 55.73 54.23 3pcg s ARG 31 Cb -0.08 -2.58 0.07 0.00 0.52 0.00 0.00 34.95 32.88 3pcg s ARG 31 CO 0.38 -0.90 1.69 -0.44 0.02 0.00 0.00 175.30 176.05 3pcg h ASP 32 N 0.08 -0.22 -3.24 0.23 3.32 -2.07 -3.39 116.42 111.13 3pcg h ASP 32 Ca -0.34 0.09 -0.62 0.00 0.02 0.00 0.00 57.03 56.19 3pcg h ASP 32 Cb 1.28 0.18 -0.34 0.00 0.22 0.00 0.00 39.33 40.66 3pcg h ASP 32 CO 0.42 -0.07 -0.85 -1.10 -1.72 0.00 0.00 179.24 175.92 3pcg s GLN 33 N -6.20 2.52 0.07 3.56 -0.21 -1.26 -5.12 119.66 113.03 3pcg s GLN 33 Ca -0.14 -0.67 0.07 0.00 0.02 0.00 0.00 55.36 54.65 3pcg s GLN 33 Cb 0.13 -2.10 -0.03 0.00 1.00 0.00 0.00 33.01 32.01 3pcg s GLN 33 CO 0.70 -0.05 -0.20 -1.21 -2.12 0.00 0.00 175.29 172.41 3pcg s GLU 34 N 0.94 1.25 -0.44 2.91 0.41 -1.26 -5.11 118.70 117.39 3pcg s GLU 34 Ca -0.06 -1.01 -0.21 0.00 -0.41 0.00 0.00 54.97 53.27 3pcg s GLU 34 Cb -0.15 -1.41 0.02 0.00 -1.78 0.00 0.00 34.13 30.81 3pcg s GLU 34 CO -0.02 0.35 0.68 0.42 -0.49 0.00 0.00 175.26 176.19 3pcg s ILE 35 N -0.95 4.79 0.00 -1.63 1.01 -1.26 -5.01 121.20 118.15 3pcg s ILE 35 Ca 0.07 0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.89 3pcg s ILE 35 Cb -0.09 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 38.14 3pcg s ILE 35 CO 0.03 -0.63 0.00 1.87 0.00 0.00 0.00 174.94 176.21 3pcg n TRP 36 N 6.37 0.00 0.99 3.97 -0.00 -1.26 -4.57 117.44 122.94 3pcg n TRP 36 Ca -0.01 0.00 0.04 0.00 -0.00 0.00 0.00 57.50 57.53 3pcg n TRP 36 Cb 0.48 0.00 0.12 0.00 -0.00 0.00 0.00 31.31 31.91 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 1.67 -4.00 5.87 6.94 -0.10 -1.36 115.26 124.28 3pcg n ASN 37 Ca 0.00 -2.07 -0.31 0.00 -0.02 0.00 0.00 54.58 52.17 3pcg n ASN 37 Cb 0.00 -0.26 -0.14 0.00 -2.36 0.00 0.00 39.78 37.02 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 -1.65 1.89 0.30 -3.83 3.52 -1.26 -0.94 118.95 116.98 3pcg s ARG 38 Ca 0.18 -2.34 0.16 0.00 -0.13 0.00 0.00 55.73 53.59 3pcg s ARG 38 Cb 0.10 -3.34 0.22 0.00 -1.56 0.00 0.00 34.95 30.37 3pcg s ARG 38 CO 0.10 -1.06 1.51 -0.07 -0.81 0.00 0.00 175.30 174.97 3pcg h LEU 39 N 6.98 0.00 -8.30 -0.88 4.07 -1.13 -3.46 115.31 112.60 3pcg h LEU 39 Ca -0.06 0.00 -0.58 0.00 0.08 0.00 0.00 57.88 57.32 3pcg h LEU 39 Cb 0.95 0.00 -0.31 0.00 1.08 0.00 0.00 40.66 42.38 3pcg h LEU 39 CO 0.64 0.50 -0.84 0.00 -1.08 0.00 0.00 178.44 177.65 3pcg s ALA 40 N -3.11 1.60 0.41 1.53 0.00 -1.22 0.61 121.76 121.58 3pcg s ALA 40 Ca 0.03 -0.76 -0.08 0.00 0.00 0.00 0.00 51.96 51.15 3pcg s ALA 40 Cb 0.09 -0.49 -0.05 0.00 0.00 0.00 0.00 23.12 22.66 3pcg s ALA 40 CO 0.73 0.32 0.74 0.15 0.00 0.00 0.00 175.76 177.70 3pcg s LYS 41 N -0.13 3.67 0.42 0.00 1.02 0.17 -4.83 119.74 120.06 3pcg s LYS 41 Ca -0.00 0.29 0.24 0.00 0.02 0.00 0.00 55.97 56.52 3pcg s LYS 41 Cb -0.10 -2.43 1.26 0.00 -0.52 0.00 0.00 37.83 36.03 3pcg s LYS 41 CO 0.01 -0.05 1.70 -1.35 -0.92 0.00 0.00 175.35 174.75 3pcg h PRO 42 N 0.98 0.24 -0.23 -1.68 0.11 -2.00 0.88 132.00 130.30 3pcg h PRO 42 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3pcg h PRO 42 Cb 1.19 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3pcg h PRO 42 CO 0.63 0.16 0.00 -0.40 -0.21 0.00 0.00 178.00 178.18 3pcg n ASP 43 N -4.65 1.08 -4.75 -2.05 5.68 -1.26 -4.89 116.55 105.70 3pcg n ASP 43 Ca 0.31 -2.01 -0.40 0.00 -0.50 0.00 0.00 54.79 52.18 3pcg n ASP 43 Cb 1.13 -0.15 -0.05 0.00 -1.14 0.00 0.00 41.12 40.91 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 -1.73 3.35 0.65 2.12 0.00 0.30 -5.02 121.76 121.42 3pcg s ALA 44 Ca 0.13 0.71 -0.15 0.00 0.00 0.00 0.00 51.96 52.64 3pcg s ALA 44 Cb 0.07 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 3pcg s ALA 44 CO 0.08 0.05 1.11 -1.25 0.00 0.00 0.00 175.76 175.75 3pcg s PRO 45 N -1.04 2.88 0.00 0.00 0.04 -1.26 -4.90 135.00 130.72 3pcg s PRO 45 Ca 0.43 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.86 3pcg s PRO 45 Cb -0.28 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.30 3pcg s PRO 45 CO 0.34 -1.19 0.00 0.41 0.04 0.00 0.00 177.00 176.61 3pcg n GLY 46 N -0.53 0.87 3.62 0.56 0.00 -1.26 -4.60 105.19 103.84 3pcg n GLY 46 Ca 0.10 -2.14 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 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 -1.29 4.00 -0.01 1.61 2.02 -1.26 -4.97 118.70 118.80 3pcg s GLU 47 Ca 0.00 0.66 -0.30 0.00 0.02 0.00 0.00 54.97 55.35 3pcg s GLU 47 Cb 0.00 -3.71 -0.04 0.00 0.10 0.00 0.00 34.13 30.47 3pcg s GLU 47 CO 0.00 -0.66 1.19 -1.01 0.02 0.00 0.00 175.26 174.80 3pcg s HIS 48 N 2.96 3.30 0.11 1.61 3.76 -1.26 -1.49 115.29 124.29 3pcg s HIS 48 Ca 0.33 1.27 0.02 0.00 -0.15 0.00 0.00 55.06 56.54 3pcg s HIS 48 Cb -0.14 -3.40 -0.04 0.00 1.11 0.00 0.00 32.58 30.10 3pcg s HIS 48 CO 0.12 -1.23 -0.07 0.96 -0.85 0.00 0.00 174.74 173.67 3pcg s ILE 49 N 1.72 0.80 -0.14 0.60 -4.36 -0.28 -4.62 121.20 114.93 3pcg s ILE 49 Ca 0.57 -1.95 -0.00 0.00 -0.26 0.00 0.00 60.65 59.00 3pcg s ILE 49 Cb -0.26 -1.70 -0.01 0.00 1.25 0.00 0.00 42.46 41.74 3pcg s ILE 49 CO 0.25 -0.83 -0.12 -0.22 0.24 0.00 0.00 174.94 174.25 3pcg s LEU 50 N -3.04 2.70 -0.12 0.37 2.96 -0.46 -2.14 118.68 118.95 3pcg s LEU 50 Ca 0.13 -0.35 -0.01 0.00 -0.22 0.00 0.00 54.13 53.67 3pcg s LEU 50 Cb 0.04 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 45.09 3pcg s LEU 50 CO -0.03 0.14 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.29 3pcg s LEU 51 N 0.52 3.05 0.05 -0.68 1.43 0.29 -0.99 118.68 122.36 3pcg s LEU 51 Ca -0.08 -0.16 -0.13 0.00 -1.03 0.00 0.00 54.13 52.73 3pcg s LEU 51 Cb -0.16 -1.70 0.02 0.00 0.03 0.00 0.00 46.19 44.38 3pcg s LEU 51 CO 0.04 0.23 0.29 -1.48 0.23 0.00 0.00 176.35 175.66 3pcg s LEU 52 N -0.03 0.94 -0.09 1.79 -0.00 -1.02 0.56 118.68 120.82 3pcg s LEU 52 Ca -0.01 -0.26 -0.33 0.00 -0.00 0.00 0.00 54.13 53.53 3pcg s LEU 52 Cb -0.14 1.33 0.14 0.00 -0.00 0.00 0.00 46.19 47.52 3pcg s LEU 52 CO 0.03 -0.64 1.35 -0.83 -0.00 0.00 0.00 176.35 176.26 3pcg s GLY 53 N -2.21 -0.42 0.18 -3.48 0.00 -0.88 -0.74 107.32 99.79 3pcg s GLY 53 Ca -0.03 1.01 0.09 0.00 0.00 0.00 0.00 44.72 45.79 3pcg s GLY 53 CO -0.05 0.23 -0.19 1.20 0.00 0.00 0.00 173.10 174.30 3pcg s GLN 54 N -2.22 1.36 -0.09 2.90 -0.21 -1.26 -0.39 119.66 119.74 3pcg s GLN 54 Ca 0.14 -1.48 0.03 0.00 0.02 0.00 0.00 55.36 54.07 3pcg s GLN 54 Cb 0.05 -1.42 -0.01 0.00 1.00 0.00 0.00 33.01 32.63 3pcg s GLN 54 CO -0.05 0.28 -0.20 0.08 -2.12 0.00 0.00 175.29 173.28 3pcg s VAL 55 N -2.14 2.42 0.08 1.09 1.01 -1.26 -1.49 120.40 120.10 3pcg s VAL 55 Ca 0.19 -0.91 0.10 0.00 0.00 0.00 0.00 61.98 61.36 3pcg s VAL 55 Cb -0.05 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 3pcg s VAL 55 CO 0.08 0.55 -0.26 -0.31 0.00 0.00 0.00 175.10 175.16 3pcg s TYR 56 N 0.14 2.34 0.71 5.22 1.51 0.46 0.57 117.35 128.30 3pcg s TYR 56 Ca -0.11 -0.39 -0.00 0.00 -1.01 0.00 0.00 57.07 55.56 3pcg s TYR 56 Cb -0.16 -1.34 0.12 0.00 -0.11 0.00 0.00 41.96 40.48 3pcg s TYR 56 CO 0.06 0.22 0.98 0.16 -1.11 0.00 0.00 175.55 175.86 3pcg s ASP 57 N -1.60 4.40 0.47 2.29 1.47 0.19 -1.23 116.67 122.67 3pcg s ASP 57 Ca 0.13 -0.40 0.31 0.00 1.18 0.00 0.00 52.55 53.78 3pcg s ASP 57 Cb -0.10 0.00 1.67 0.00 -0.34 0.00 0.00 42.92 44.16 3pcg s ASP 57 CO 0.04 -1.82 1.96 1.23 0.68 0.00 0.00 175.17 177.26 3pcg h GLY 58 N -0.47 0.00 -1.98 2.12 0.00 -1.89 0.15 103.07 101.00 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 0.40 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.64 3pcg n ASN 59 N -2.62 3.08 -0.81 0.19 3.02 -1.26 -4.77 115.26 112.08 3pcg n ASN 59 Ca -0.02 -1.94 -0.08 0.00 -0.03 0.00 0.00 54.58 52.50 3pcg n ASN 59 Cb 0.07 -0.17 -0.02 0.00 -0.61 0.00 0.00 39.78 39.06 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 1.42 0.52 3.76 7.41 0.00 0.52 -5.02 105.19 113.80 3pcg n GLY 60 Ca 0.18 -0.59 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.37 3.37 0.33 1.61 3.76 -1.26 -4.84 115.29 115.89 3pcg s HIS 61 Ca 0.00 0.33 -0.29 0.00 -0.15 0.00 0.00 55.06 54.94 3pcg s HIS 61 Cb 0.00 -1.90 -0.11 0.00 1.11 0.00 0.00 32.58 31.68 3pcg s HIS 61 CO 0.00 0.54 1.56 1.28 -0.85 0.00 0.00 174.74 177.27 3pcg n LEU 62 N 2.28 4.53 -4.44 0.89 4.77 -1.26 -0.63 117.00 123.13 3pcg n LEU 62 Ca -0.19 1.18 -0.44 0.00 -0.03 0.00 0.00 56.01 56.53 3pcg n LEU 62 Cb 0.54 -1.60 -0.07 0.00 -2.33 0.00 0.00 43.42 39.95 3pcg n LEU 62 CO 0.31 0.16 0.21 -0.69 -1.33 0.00 0.00 177.39 176.04 3pcg s VAL 63 N -0.43 5.02 -2.08 4.08 1.01 0.19 -4.84 120.40 123.34 3pcg s VAL 63 Ca 0.60 -0.62 0.18 0.00 0.00 0.00 0.00 61.98 62.14 3pcg s VAL 63 Cb -0.49 -4.20 0.48 0.00 0.00 0.00 0.00 36.38 32.17 3pcg s VAL 63 CO 0.54 -0.67 1.42 0.54 0.00 0.00 0.00 175.10 176.94 3pcg n ARG 64 N 5.79 2.27 -0.59 2.72 1.74 -1.26 -4.25 116.66 123.07 3pcg n ARG 64 Ca -0.08 -1.96 0.04 0.00 -0.77 0.00 0.00 57.85 55.08 3pcg n ARG 64 Cb 0.45 -1.44 0.07 0.00 -1.02 0.00 0.00 32.46 30.52 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 1.11 1.02 -4.82 0.55 5.68 -1.26 -3.91 116.55 114.92 3pcg n ASP 65 Ca 0.19 -2.52 -0.33 0.00 -0.50 0.00 0.00 54.79 51.63 3pcg n ASP 65 Cb 0.47 -0.32 -0.01 0.00 -1.14 0.00 0.00 41.12 40.12 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 -1.96 6.17 -0.05 -1.12 1.04 -1.26 -4.59 113.70 111.93 3pcg s SER 66 Ca 0.20 1.73 0.02 0.00 0.48 0.00 0.00 55.95 58.37 3pcg s SER 66 Cb 0.19 -2.53 0.02 0.00 0.10 0.00 0.00 66.02 63.80 3pcg s SER 66 CO -0.03 -0.90 -0.08 0.12 0.98 0.00 0.00 173.24 173.33 3pcg s PHE 67 N -2.48 1.04 0.04 5.02 5.36 0.55 -2.00 117.98 125.50 3pcg s PHE 67 Ca 0.62 -0.33 0.06 0.00 -0.96 0.00 0.00 56.93 56.32 3pcg s PHE 67 Cb -0.14 -0.81 -0.02 0.00 -0.34 0.00 0.00 43.02 41.71 3pcg s PHE 67 CO 0.33 -0.20 -0.17 -0.51 -1.46 0.00 0.00 175.22 173.21 3pcg s LEU 68 N 0.69 2.16 -0.01 6.12 1.02 0.47 -0.61 118.68 128.52 3pcg s LEU 68 Ca -0.11 -0.46 0.07 0.00 0.02 0.00 0.00 54.13 53.64 3pcg s LEU 68 Cb -0.14 -0.77 -0.02 0.00 0.02 0.00 0.00 46.19 45.28 3pcg s LEU 68 CO 0.02 0.10 -0.23 -1.61 0.02 0.00 0.00 176.35 174.64 3pcg s GLU 69 N -1.08 1.86 0.09 1.70 2.02 -0.05 -1.74 118.70 121.51 3pcg s GLU 69 Ca 0.04 -0.86 0.09 0.00 0.02 0.00 0.00 54.97 54.26 3pcg s GLU 69 Cb -0.08 -1.82 -0.03 0.00 0.10 0.00 0.00 34.13 32.29 3pcg s GLU 69 CO 0.01 0.50 -0.22 0.14 0.02 0.00 0.00 175.26 175.71 3pcg s VAL 70 N -0.57 1.83 -0.08 2.63 -7.23 -0.63 -1.26 120.40 115.09 3pcg s VAL 70 Ca 0.09 -1.51 -0.03 0.00 -1.81 0.00 0.00 61.98 58.72 3pcg s VAL 70 Cb -0.09 -1.64 0.05 0.00 0.56 0.00 0.00 36.38 35.26 3pcg s VAL 70 CO -0.01 0.04 0.16 0.86 -0.31 0.00 0.00 175.10 175.85 3pcg s TRP 71 N -1.05 -0.18 0.11 2.82 -0.11 -0.63 -2.25 118.94 117.65 3pcg s TRP 71 Ca 0.08 0.61 -0.09 0.00 1.22 0.00 0.00 56.10 57.92 3pcg s TRP 71 Cb -0.10 -0.24 -0.00 0.00 -1.50 0.00 0.00 33.47 31.63 3pcg s TRP 71 CO 0.04 -0.26 0.23 1.14 -4.62 0.00 0.00 176.95 173.48 3pcg s GLN 72 N 2.20 0.94 0.55 5.86 -2.07 -0.32 -0.62 119.66 126.20 3pcg s GLN 72 Ca 0.02 -1.00 -0.07 0.00 -1.82 0.00 0.00 55.36 52.49 3pcg s GLN 72 Cb -0.12 0.36 -0.02 0.00 -1.09 0.00 0.00 33.01 32.14 3pcg s GLN 72 CO -0.06 -0.32 0.89 0.00 -1.32 0.00 0.00 175.29 174.48 3pcg s ALA 73 N -3.89 3.27 1.03 2.60 0.00 -1.26 -4.48 121.76 119.04 3pcg s ALA 73 Ca 0.08 -0.44 -0.17 0.00 0.00 0.00 0.00 51.96 51.43 3pcg s ALA 73 Cb 0.04 -2.74 0.22 0.00 0.00 0.00 0.00 23.12 20.65 3pcg s ALA 73 CO -0.08 -0.58 1.25 0.16 0.00 0.00 0.00 175.76 176.51 3pcg s ASP 74 N -4.18 2.50 0.66 0.00 1.47 0.21 -4.31 116.67 113.01 3pcg s ASP 74 Ca 0.51 0.40 0.37 0.00 1.18 0.00 0.00 52.55 55.01 3pcg s ASP 74 Cb -0.11 -0.53 2.02 0.00 -0.34 0.00 0.00 42.92 43.96 3pcg s ASP 74 CO 0.48 -3.12 2.16 0.00 0.68 0.00 0.00 175.17 175.36 3pcg h ALA 75 N -1.91 1.25 -0.20 2.11 0.00 -1.82 0.24 119.26 118.94 3pcg h ALA 75 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3pcg h ALA 75 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3pcg h ALA 75 CO 0.38 -0.17 0.00 0.09 0.00 0.00 0.00 179.25 179.55 3pcg n ASN 76 N -3.13 2.00 -0.20 0.00 3.02 -1.26 -3.69 115.26 112.00 3pcg n ASN 76 Ca -0.02 -1.76 -0.02 0.00 -0.03 0.00 0.00 54.58 52.75 3pcg n ASN 76 Cb 0.22 -0.13 -0.00 0.00 -0.61 0.00 0.00 39.78 39.27 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 1.20 0.31 3.49 7.41 0.00 0.58 -4.79 105.19 113.39 3pcg n GLY 77 Ca 0.17 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 45.03 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 -3.97 2.78 -0.31 1.61 2.02 -1.25 -4.70 118.70 114.88 3pcg s GLU 78 Ca 0.00 -0.64 -0.20 0.00 0.02 0.00 0.00 54.97 54.15 3pcg s GLU 78 Cb 0.00 -2.51 -0.01 0.00 0.10 0.00 0.00 34.13 31.71 3pcg s GLU 78 CO 0.00 0.55 0.62 0.71 0.02 0.00 0.00 175.26 177.17 3pcg s TYR 79 N -0.53 3.21 -0.73 1.61 2.02 -1.26 0.68 117.35 122.35 3pcg s TYR 79 Ca 0.07 0.57 -0.18 0.00 -0.37 0.00 0.00 57.07 57.16 3pcg s TYR 79 Cb -0.12 -2.99 0.14 0.00 -0.40 0.00 0.00 41.96 38.59 3pcg s TYR 79 CO 0.02 -0.48 0.83 -0.65 -1.57 0.00 0.00 175.55 173.70 3pcg s GLN 80 N 2.60 3.31 0.26 -0.62 -1.52 -1.26 -4.91 119.66 117.53 3pcg s GLN 80 Ca 0.25 -1.69 0.18 0.00 -1.95 0.00 0.00 55.36 52.15 3pcg s GLN 80 Cb -0.15 -4.47 0.08 0.00 -0.22 0.00 0.00 33.01 28.25 3pcg s GLN 80 CO 0.12 -1.55 1.32 0.38 -0.25 0.00 0.00 175.29 175.31 3pcg h ASP 81 N 8.78 0.00 -1.39 5.90 2.03 -1.97 -3.25 116.42 126.52 3pcg h ASP 81 Ca -0.09 0.00 -0.54 0.00 -0.73 0.00 0.00 57.03 55.67 3pcg h ASP 81 Cb 1.06 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 39.47 3pcg h ASP 81 CO 1.02 0.35 1.30 0.00 -1.03 0.00 0.00 179.24 180.89 3pcg s ALA 82 N -3.05 2.57 0.06 4.15 0.00 -1.26 -4.96 121.76 119.27 3pcg s ALA 82 Ca 0.03 -1.89 -0.31 0.00 0.00 0.00 0.00 51.96 49.79 3pcg s ALA 82 Cb 0.07 -4.46 -0.08 0.00 0.00 0.00 0.00 23.12 18.66 3pcg s ALA 82 CO 0.75 -3.70 1.54 -0.47 0.00 0.00 0.00 175.76 173.88 3pcg s TYR 83 N 5.96 2.69 -0.28 0.00 5.04 -1.26 -4.99 117.35 124.50 3pcg s TYR 83 Ca 0.47 0.56 -0.16 0.00 -2.44 0.00 0.00 57.07 55.50 3pcg s TYR 83 Cb -0.03 -3.84 0.08 0.00 0.35 0.00 0.00 41.96 38.52 3pcg s TYR 83 CO -0.02 -3.25 0.69 1.21 -1.34 0.00 0.00 175.55 172.84 3pcg s ASN 84 N 2.02 -0.94 0.58 4.32 3.84 -1.26 -5.03 114.94 118.47 3pcg s ASN 84 Ca 0.70 1.51 0.37 0.00 0.21 0.00 0.00 52.86 55.65 3pcg s ASN 84 Cb -0.37 1.39 1.67 0.00 -0.55 0.00 0.00 41.25 43.38 3pcg s ASN 84 CO 0.30 -0.24 2.10 -0.07 -2.79 0.00 0.00 177.10 176.40 3pcg h LEU 85 N 6.96 0.00 -0.76 3.21 3.38 -1.97 -1.87 115.31 124.26 3pcg h LEU 85 Ca -0.30 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.55 3pcg h LEU 85 Cb 1.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 3pcg h LEU 85 CO 0.16 0.00 -0.56 -0.33 0.09 0.00 0.00 178.44 177.80 3pcg h GLU 86 N 0.00 0.00 -6.79 1.13 5.08 -2.00 -3.46 114.58 108.54 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 0.37 0.00 0.14 0.00 0.50 0.00 0.00 28.75 29.76 3pcg h GLU 86 CO 0.00 0.56 0.30 0.09 -1.00 0.00 0.00 179.01 178.96 3pcg n ASN 87 N -3.69 1.67 0.16 1.42 3.02 -0.70 -4.91 115.26 112.23 3pcg n ASN 87 Ca -0.01 0.99 0.03 0.00 -0.03 0.00 0.00 54.58 55.56 3pcg n ASN 87 Cb 0.60 -1.43 0.15 0.00 -0.61 0.00 0.00 39.78 38.49 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 1.41 0.78 -3.10 5.41 0.00 -1.89 -3.44 119.26 118.43 3pcg h ALA 88 Ca -0.47 -0.44 -0.19 0.00 0.00 0.00 0.00 54.91 53.81 3pcg h ALA 88 Cb 1.33 -0.08 -0.28 0.00 0.00 0.00 0.00 17.79 18.76 3pcg h ALA 88 CO 0.56 0.60 -0.47 0.12 0.00 0.00 0.00 179.25 180.06 3pcg s PHE 89 N -3.21 -0.29 -0.07 0.00 5.36 -1.26 0.41 117.98 118.92 3pcg s PHE 89 Ca 0.02 0.70 0.05 0.00 -0.96 0.00 0.00 56.93 56.74 3pcg s PHE 89 Cb 0.09 0.06 -0.01 0.00 -0.34 0.00 0.00 43.02 42.82 3pcg s PHE 89 CO 0.72 -0.18 -0.24 -0.80 -1.46 0.00 0.00 175.22 173.26 3pcg s ASN 90 N 0.76 3.14 0.37 6.13 0.01 0.20 -4.96 114.94 120.59 3pcg s ASN 90 Ca -0.05 -0.51 0.27 0.00 -0.71 0.00 0.00 52.86 51.86 3pcg s ASN 90 Cb -0.07 -1.06 1.00 0.00 0.41 0.00 0.00 41.25 41.53 3pcg s ASN 90 CO -0.05 0.22 1.80 0.28 -1.51 0.00 0.00 177.10 177.84 3pcg h SER 91 N 6.28 0.00 -3.95 -1.22 0.02 -1.78 -3.44 113.55 109.47 3pcg h SER 91 Ca -0.28 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 59.98 3pcg h SER 91 Cb 1.20 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 63.51 3pcg h SER 91 CO 0.47 0.00 -0.76 0.12 -1.14 0.00 0.00 176.83 175.53 3pcg s PHE 92 N -3.38 2.75 0.32 3.45 5.36 -1.26 -1.18 117.98 124.03 3pcg s PHE 92 Ca 0.05 -0.14 -0.10 0.00 -0.96 0.00 0.00 56.93 55.78 3pcg s PHE 92 Cb 0.09 -1.65 0.01 0.00 -0.34 0.00 0.00 43.02 41.13 3pcg s PHE 92 CO 0.51 0.20 0.56 0.20 -1.46 0.00 0.00 175.22 175.24 3pcg s GLY 93 N -0.71 0.81 0.01 13.12 0.00 -0.95 -4.85 107.32 114.74 3pcg s GLY 93 Ca 0.11 -1.05 -0.04 0.00 0.00 0.00 0.00 44.72 43.75 3pcg s GLY 93 CO 0.01 -0.66 0.05 0.50 0.00 0.00 0.00 173.10 173.00 3pcg s ARG 94 N -3.28 0.39 0.23 2.90 0.52 -0.47 -1.60 118.95 117.64 3pcg s ARG 94 Ca 0.23 -0.50 -0.16 0.00 -0.52 0.00 0.00 55.73 54.78 3pcg s ARG 94 Cb -0.02 0.15 0.01 0.00 0.52 0.00 0.00 34.95 35.62 3pcg s ARG 94 CO 0.14 -0.08 0.53 -0.08 0.02 0.00 0.00 175.30 175.82 3pcg s THR 95 N -1.41 0.01 0.14 0.02 -1.32 -0.71 -0.92 115.64 111.45 3pcg s THR 95 Ca -0.15 -1.10 -0.18 0.00 -1.21 0.00 0.00 61.69 59.05 3pcg s THR 95 Cb -0.09 -1.91 0.04 0.00 -1.51 0.00 0.00 72.50 69.03 3pcg s THR 95 CO 0.00 -0.06 0.46 0.00 -2.21 0.00 0.00 174.62 172.81 3pcg s ALA 96 N -3.94 -1.07 0.12 11.08 0.00 -1.26 -0.39 121.76 126.29 3pcg s ALA 96 Ca 0.15 0.03 -0.22 0.00 0.00 0.00 0.00 51.96 51.92 3pcg s ALA 96 Cb -0.01 0.76 -0.07 0.00 0.00 0.00 0.00 23.12 23.80 3pcg s ALA 96 CO 0.04 -0.70 0.67 0.95 0.00 0.00 0.00 175.76 176.72 3pcg s THR 97 N -3.81 4.56 0.35 0.00 -4.23 -0.85 -4.30 115.64 107.36 3pcg s THR 97 Ca 0.04 1.45 -0.29 0.00 -1.18 0.00 0.00 61.69 61.72 3pcg s THR 97 Cb 0.01 -4.02 -0.11 0.00 1.34 0.00 0.00 72.50 69.73 3pcg s THR 97 CO -0.11 0.54 1.40 0.42 -0.54 0.00 0.00 174.62 176.34 3pcg s THR 98 N -1.13 2.40 0.42 3.99 -4.23 -1.22 -4.57 115.64 111.31 3pcg s THR 98 Ca 0.32 0.40 0.16 0.00 -1.18 0.00 0.00 61.69 61.39 3pcg s THR 98 Cb -0.21 -3.25 0.18 0.00 1.34 0.00 0.00 72.50 70.55 3pcg s THR 98 CO 0.23 0.09 1.96 -0.26 -0.54 0.00 0.00 174.62 176.10 3pcg h PHE 99 N 3.35 0.00 0.00 3.99 0.04 -1.96 -1.81 116.94 120.55 3pcg h PHE 99 Ca -0.50 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.27 3pcg h PHE 99 Cb 1.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.38 3pcg h PHE 99 CO 0.55 0.22 0.00 -0.40 -0.60 0.00 0.00 178.31 178.08 3pcg n ASP 100 N -4.15 0.00 -0.14 2.17 5.75 -1.26 -4.68 116.55 114.24 3pcg n ASP 100 Ca -0.02 0.00 0.09 0.00 -0.01 0.00 0.00 54.79 54.85 3pcg n ASP 100 Cb 0.28 0.00 0.42 0.00 -1.03 0.00 0.00 41.12 40.79 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 1.85 -2.01 2.12 0.00 -1.99 -3.47 119.26 113.76 3pcg h ALA 101 Ca 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 3pcg h ALA 101 Cb 0.00 -0.14 0.03 0.00 0.00 0.00 0.00 17.79 17.68 3pcg h ALA 101 CO 0.00 0.02 -0.22 0.41 0.00 0.00 0.00 179.25 179.46 3pcg n GLY 102 N -1.48 0.28 3.47 0.00 0.00 -0.68 -4.90 105.19 101.88 3pcg n GLY 102 Ca 0.11 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 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 -5.01 2.43 0.27 1.61 2.12 -1.26 -4.35 118.70 114.51 3pcg s GLU 103 Ca 0.12 -0.75 0.07 0.00 0.36 0.00 0.00 54.97 54.78 3pcg s GLU 103 Cb -0.05 -2.33 -0.03 0.00 0.26 0.00 0.00 34.13 31.97 3pcg s GLU 103 CO 0.15 0.61 0.21 1.67 -0.54 0.00 0.00 175.26 177.36 3pcg s TRP 104 N -0.75 3.06 0.01 5.30 1.48 0.48 -3.38 118.94 125.13 3pcg s TRP 104 Ca 0.12 -0.15 -0.05 0.00 -1.06 0.00 0.00 56.10 54.96 3pcg s TRP 104 Cb -0.11 -1.48 -0.00 0.00 -1.16 0.00 0.00 33.47 30.72 3pcg s TRP 104 CO 0.01 0.45 0.09 0.95 -4.06 0.00 0.00 176.95 174.39 3pcg s THR 105 N -2.18 0.09 -0.01 0.66 -4.23 -1.26 -2.06 115.64 106.65 3pcg s THR 105 Ca 0.35 -0.72 0.00 0.00 -1.18 0.00 0.00 61.69 60.14 3pcg s THR 105 Cb -0.07 -0.37 0.00 0.00 1.34 0.00 0.00 72.50 73.40 3pcg s THR 105 CO 0.25 -0.40 -0.01 -0.22 -0.54 0.00 0.00 174.62 173.70 3pcg s LEU 106 N -1.34 1.83 -0.26 4.79 2.96 0.19 -4.85 118.68 122.00 3pcg s LEU 106 Ca -0.14 -0.02 -0.04 0.00 -0.22 0.00 0.00 54.13 53.70 3pcg s LEU 106 Cb -0.08 -0.10 0.01 0.00 0.50 0.00 0.00 46.19 46.53 3pcg s LEU 106 CO 0.01 -0.01 0.00 -1.00 -1.32 0.00 0.00 176.35 174.03 3pcg s HIS 107 N 0.17 3.09 0.00 5.38 3.76 -0.11 -0.55 115.29 127.03 3pcg s HIS 107 Ca -0.01 -1.24 0.00 0.00 -0.15 0.00 0.00 55.06 53.66 3pcg s HIS 107 Cb -0.03 -2.15 0.00 0.00 1.11 0.00 0.00 32.58 31.51 3pcg s HIS 107 CO -0.00 -0.64 0.00 -2.37 -0.85 0.00 0.00 174.74 170.87 3pcg n THR 108 N 4.77 0.00 -4.31 1.30 5.66 -0.91 -0.59 114.28 120.20 3pcg n THR 108 Ca -0.16 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.64 3pcg n THR 108 Cb 0.48 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.15 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 -2.81 1.68 -0.02 1.08 -7.23 -1.26 -1.12 120.40 110.71 3pcg s VAL 109 Ca 0.00 -1.93 -0.30 0.00 -1.81 0.00 0.00 61.98 57.94 3pcg s VAL 109 Cb 0.00 -1.81 -0.06 0.00 0.56 0.00 0.00 36.38 35.07 3pcg s VAL 109 CO 0.00 -0.40 1.69 -0.75 -0.31 0.00 0.00 175.10 175.33 3pcg s LYS 110 N -2.94 4.18 0.53 4.82 2.20 -0.55 -4.90 119.74 123.09 3pcg s LYS 110 Ca 0.15 2.26 -0.21 0.00 -0.36 0.00 0.00 55.97 57.81 3pcg s LYS 110 Cb -0.04 -3.94 -0.05 0.00 -1.51 0.00 0.00 37.83 32.28 3pcg s LYS 110 CO 0.06 -0.83 1.27 -1.25 -0.36 0.00 0.00 175.35 174.23 3pcg s PRO 111 N 3.83 3.26 0.86 4.03 0.04 -1.26 -4.18 135.00 141.59 3pcg s PRO 111 Ca 0.75 2.02 -0.13 0.00 0.04 0.00 0.00 61.00 63.68 3pcg s PRO 111 Cb -0.35 -2.22 0.12 0.00 0.04 0.00 0.00 34.50 32.08 3pcg s PRO 111 CO 0.31 -1.03 1.21 0.20 0.04 0.00 0.00 177.00 177.74 3pcg s GLY 112 N -1.20 1.64 0.27 0.56 0.00 0.32 -4.76 107.32 104.15 3pcg s GLY 112 Ca 0.71 -0.79 -0.27 0.00 0.00 0.00 0.00 44.72 44.37 3pcg s GLY 112 CO 0.41 -0.22 0.92 0.14 0.00 0.00 0.00 173.10 174.35 3pcg s VAL 113 N -3.63 4.18 0.04 1.40 1.01 -1.26 -4.46 120.40 117.68 3pcg s VAL 113 Ca 0.65 1.90 0.04 0.00 0.00 0.00 0.00 61.98 64.57 3pcg s VAL 113 Cb -0.09 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 3pcg s VAL 113 CO 0.50 0.32 -0.11 0.68 0.00 0.00 0.00 175.10 176.49 3pcg s VAL 114 N -1.40 0.88 0.26 2.92 -7.23 -1.26 -4.48 120.40 110.09 3pcg s VAL 114 Ca 0.45 -0.95 -0.07 0.00 -1.81 0.00 0.00 61.98 59.60 3pcg s VAL 114 Cb -0.22 -0.83 -0.06 0.00 0.56 0.00 0.00 36.38 35.83 3pcg s VAL 114 CO 0.27 -0.10 0.54 0.20 -0.31 0.00 0.00 175.10 175.70 3pcg s ASN 115 N -1.18 6.52 0.91 4.85 0.01 -1.26 -0.04 114.94 124.75 3pcg s ASN 115 Ca -0.02 0.79 -0.14 0.00 -0.71 0.00 0.00 52.86 52.78 3pcg s ASN 115 Cb -0.08 -2.17 0.18 0.00 0.41 0.00 0.00 41.25 39.59 3pcg s ASN 115 CO 0.01 -0.13 1.26 0.54 -1.51 0.00 0.00 177.10 177.27 3pcg s ASN 116 N -2.81 3.42 0.30 -1.22 2.20 0.80 -4.87 114.94 112.77 3pcg s ASN 116 Ca 0.45 0.24 0.03 0.00 -0.94 0.00 0.00 52.86 52.64 3pcg s ASN 116 Cb -0.11 -0.37 0.61 0.00 -2.00 0.00 0.00 41.25 39.38 3pcg s ASN 116 CO 0.26 -2.53 1.86 0.00 -2.94 0.00 0.00 177.10 173.75 3pcg h ALA 117 N -1.43 1.59 0.00 3.54 0.00 -1.99 -0.65 119.26 120.32 3pcg h ALA 117 Ca -0.44 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3pcg h ALA 117 Cb 1.25 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3pcg h ALA 117 CO 0.41 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.85 3pcg n ALA 118 N -2.38 2.51 -0.83 0.00 0.00 -1.26 -4.86 120.51 113.69 3pcg n ALA 118 Ca 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3pcg n ALA 118 Cb 0.34 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 0.66 0.57 3.74 0.00 0.00 -0.25 -5.05 105.19 104.86 3pcg n GLY 119 Ca 0.14 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.00 5.17 0.29 1.61 1.01 -1.26 -4.75 120.40 120.47 3pcg s VAL 120 Ca 0.00 0.92 -0.29 0.00 0.00 0.00 0.00 61.98 62.60 3pcg s VAL 120 Cb 0.00 -3.79 -0.10 0.00 0.00 0.00 0.00 36.38 32.49 3pcg s VAL 120 CO 0.00 0.37 1.34 -2.16 0.00 0.00 0.00 175.10 174.64 3pcg s PRO 121 N 0.37 4.34 0.02 2.72 0.04 -1.26 -0.14 135.00 141.10 3pcg s PRO 121 Ca 0.25 2.20 -0.02 0.00 0.04 0.00 0.00 61.00 63.47 3pcg s PRO 121 Cb -0.15 -3.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 3pcg s PRO 121 CO 0.10 -0.25 0.21 -1.64 0.04 0.00 0.00 177.00 175.46 3pcg s MET 122 N -1.18 3.46 0.59 4.56 -1.94 0.94 -4.44 119.30 121.28 3pcg s MET 122 Ca 0.53 -0.33 -0.17 0.00 -1.71 0.00 0.00 55.69 54.00 3pcg s MET 122 Cb -0.40 -3.06 -0.04 0.00 2.01 0.00 0.00 34.83 33.34 3pcg s MET 122 CO 0.48 0.64 1.10 0.00 -0.01 0.00 0.00 175.02 177.23 3pcg s ALA 123 N -1.40 2.65 0.10 3.03 0.00 -1.26 -4.03 121.76 120.85 3pcg s ALA 123 Ca 0.31 0.61 -0.36 0.00 0.00 0.00 0.00 51.96 52.51 3pcg s ALA 123 Cb -0.13 -3.30 -0.16 0.00 0.00 0.00 0.00 23.12 19.53 3pcg s ALA 123 CO 0.22 -0.90 1.41 -2.30 0.00 0.00 0.00 175.76 174.19 3pcg n PRO 124 N -1.81 1.43 -3.70 0.00 -0.02 -1.26 -4.88 135.00 124.76 3pcg n PRO 124 Ca 0.10 0.51 -0.10 0.00 -2.02 0.00 0.00 63.50 62.00 3pcg n PRO 124 Cb 0.52 -2.19 -0.05 0.00 -0.02 0.00 0.00 33.50 31.76 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 0.66 -0.11 -0.13 6.00 -3.43 -1.26 -4.32 115.29 112.70 3pcg s HIS 125 Ca 0.83 -0.23 0.03 0.00 -0.80 0.00 0.00 55.06 54.89 3pcg s HIS 125 Cb -0.88 0.22 0.01 0.00 -1.43 0.00 0.00 32.58 30.50 3pcg s HIS 125 CO 0.45 -0.72 -0.22 0.42 -2.00 0.00 0.00 174.74 172.66 3pcg s ILE 126 N -3.83 2.06 -0.12 -5.38 1.01 -0.64 -4.61 121.20 109.68 3pcg s ILE 126 Ca 0.05 -0.99 -0.23 0.00 0.00 0.00 0.00 60.65 59.48 3pcg s ILE 126 Cb 0.02 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.65 3pcg s ILE 126 CO -0.10 0.55 0.72 0.20 0.00 0.00 0.00 174.94 176.31 3pcg s ASN 127 N 0.74 6.91 0.01 3.58 0.01 0.21 -1.17 114.94 125.23 3pcg s ASN 127 Ca -0.09 1.10 0.08 0.00 -0.71 0.00 0.00 52.86 53.24 3pcg s ASN 127 Cb -0.16 -2.41 -0.03 0.00 0.41 0.00 0.00 41.25 39.07 3pcg s ASN 127 CO -0.00 -0.22 -0.23 -0.63 -1.51 0.00 0.00 177.10 174.51 3pcg s ILE 128 N 1.39 2.38 -0.12 0.60 1.01 -0.06 -1.60 121.20 124.80 3pcg s ILE 128 Ca 0.36 -1.16 0.01 0.00 0.00 0.00 0.00 60.65 59.85 3pcg s ILE 128 Cb -0.17 -1.92 0.02 0.00 0.01 0.00 0.00 42.46 40.40 3pcg s ILE 128 CO 0.15 0.46 -0.14 -0.44 0.00 0.00 0.00 174.94 174.97 3pcg s SER 129 N -1.01 2.47 -0.15 3.58 0.01 -0.39 -0.45 113.70 117.75 3pcg s SER 129 Ca 0.12 -0.43 -0.04 0.00 1.31 0.00 0.00 55.95 56.91 3pcg s SER 129 Cb -0.10 -1.08 -0.03 0.00 0.21 0.00 0.00 66.02 65.02 3pcg s SER 129 CO 0.02 -0.03 -0.01 -0.22 0.41 0.00 0.00 173.24 173.40 3pcg s LEU 130 N 1.27 3.41 0.04 2.44 2.96 0.12 -0.87 118.68 128.06 3pcg s LEU 130 Ca -0.01 -0.04 0.04 0.00 -0.22 0.00 0.00 54.13 53.90 3pcg s LEU 130 Cb -0.14 -1.82 -0.02 0.00 0.50 0.00 0.00 46.19 44.71 3pcg s LEU 130 CO -0.06 0.21 -0.11 -0.36 -1.32 0.00 0.00 176.35 174.71 3pcg s PHE 131 N 0.14 0.95 0.00 5.38 0.40 0.23 -1.78 117.98 123.30 3pcg s PHE 131 Ca 0.00 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 55.94 3pcg s PHE 131 Cb -0.13 -0.56 0.00 0.00 0.51 0.00 0.00 43.02 42.84 3pcg s PHE 131 CO 0.02 -0.00 0.00 0.00 0.70 0.00 0.00 175.22 175.94 3pcg n ALA 132 N 1.76 0.00 -1.77 5.36 0.00 -1.26 -0.33 120.51 124.27 3pcg n ALA 132 Ca -0.20 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.85 3pcg n ALA 132 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 3pcg n ALA 132 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3pcg s ARG 133 N -2.00 3.91 0.00 0.00 1.70 -1.25 -1.81 118.95 119.50 3pcg s ARG 133 Ca 0.00 2.26 0.00 0.00 -0.47 0.00 0.00 55.73 57.52 3pcg s ARG 133 Cb 0.00 -2.75 0.00 0.00 -0.57 0.00 0.00 34.95 31.63 3pcg s ARG 133 CO 0.00 -0.57 0.00 0.41 -1.08 0.00 0.00 175.30 174.06 3pcg n GLY 134 N 0.63 1.75 3.20 3.88 0.00 -1.26 -4.95 105.19 108.45 3pcg n GLY 134 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.38 3.62 0.15 -0.61 1.01 -0.75 -4.97 121.20 117.27 3pcg s ILE 135 Ca 0.00 -1.56 -0.11 0.00 0.00 0.00 0.00 60.65 58.99 3pcg s ILE 135 Cb 0.00 -3.24 -0.02 0.00 0.01 0.00 0.00 42.46 39.20 3pcg s ILE 135 CO 0.00 -0.43 1.51 0.78 0.00 0.00 0.00 174.94 176.79 3pcg h ASN 136 N 8.19 1.01 -3.63 3.58 2.35 -1.90 -3.32 115.58 121.85 3pcg h ASN 136 Ca -0.20 -0.43 -0.40 0.00 -0.55 0.00 0.00 56.30 54.72 3pcg h ASN 136 Cb 1.07 -0.28 -0.32 0.00 0.05 0.00 0.00 38.32 38.83 3pcg h ASN 136 CO 0.67 1.23 -0.78 -0.51 -1.65 0.00 0.00 177.43 176.39 3pcg s ILE 137 N -4.53 0.61 0.69 2.81 2.07 -1.26 -3.05 121.20 118.54 3pcg s ILE 137 Ca -0.11 -0.22 -0.17 0.00 -1.41 0.00 0.00 60.65 58.74 3pcg s ILE 137 Cb 0.12 -0.58 -0.00 0.00 0.13 0.00 0.00 42.46 42.12 3pcg s ILE 137 CO 0.88 0.22 1.06 0.00 -1.91 0.00 0.00 174.94 175.19 3pcg n HIS 138 N 3.64 1.04 -3.78 3.50 1.44 -1.26 -5.00 115.22 114.79 3pcg n HIS 138 Ca -0.21 0.41 -0.36 0.00 -2.01 0.00 0.00 57.72 55.54 3pcg n HIS 138 Cb 0.53 -2.14 -0.07 0.00 0.12 0.00 0.00 29.99 28.44 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 -3.42 4.33 -0.16 2.39 1.43 -0.73 -4.92 118.68 117.61 3pcg s LEU 139 Ca 0.76 0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 54.26 3pcg s LEU 139 Cb -0.36 -2.14 -0.03 0.00 0.03 0.00 0.00 46.19 43.70 3pcg s LEU 139 CO 0.47 0.31 -0.03 -1.00 0.23 0.00 0.00 176.35 176.33 3pcg s HIS 140 N -0.52 3.03 0.28 0.29 3.76 -1.26 0.16 115.29 121.04 3pcg s HIS 140 Ca 0.14 -0.31 -0.01 0.00 -0.15 0.00 0.00 55.06 54.74 3pcg s HIS 140 Cb -0.12 -1.97 -0.02 0.00 1.11 0.00 0.00 32.58 31.58 3pcg s HIS 140 CO 0.03 -0.05 0.31 -0.08 -0.85 0.00 0.00 174.74 174.11 3pcg s THR 141 N 0.41 0.00 0.04 1.30 -1.32 0.40 0.14 115.64 116.60 3pcg s THR 141 Ca -0.04 -1.81 0.04 0.00 -1.21 0.00 0.00 61.69 58.68 3pcg s THR 141 Cb -0.14 -2.50 -0.02 0.00 -1.51 0.00 0.00 72.50 68.33 3pcg s THR 141 CO 0.03 0.00 -0.12 -0.13 -2.21 0.00 0.00 174.62 172.18 3pcg s ARG 142 N -3.63 0.82 -0.20 7.08 0.52 -1.26 -0.88 118.95 121.40 3pcg s ARG 142 Ca 0.35 -0.73 -0.02 0.00 -0.52 0.00 0.00 55.73 54.81 3pcg s ARG 142 Cb 0.03 -0.79 0.00 0.00 0.52 0.00 0.00 34.95 34.71 3pcg s ARG 142 CO 0.18 0.19 -0.10 -1.17 0.02 0.00 0.00 175.30 174.42 3pcg s LEU 143 N -1.17 2.60 0.44 2.53 0.20 -0.32 -4.75 118.68 118.21 3pcg s LEU 143 Ca -0.00 -0.49 0.07 0.00 0.69 0.00 0.00 54.13 54.40 3pcg s LEU 143 Cb -0.08 -1.64 -0.02 0.00 -0.43 0.00 0.00 46.19 44.03 3pcg s LEU 143 CO 0.01 -0.01 0.35 -0.31 -0.29 0.00 0.00 176.35 176.10 3pcg s TYR 144 N 1.38 2.47 -0.09 5.38 1.51 0.46 -1.63 117.35 126.85 3pcg s TYR 144 Ca 0.05 -0.58 0.02 0.00 -1.01 0.00 0.00 57.07 55.55 3pcg s TYR 144 Cb -0.14 -2.08 -0.02 0.00 -0.11 0.00 0.00 41.96 39.61 3pcg s TYR 144 CO -0.07 -0.14 -0.14 -0.06 -1.11 0.00 0.00 175.55 174.04 3pcg s PHE 145 N -2.56 2.76 0.57 2.71 0.40 -1.26 0.78 117.98 121.38 3pcg s PHE 145 Ca 0.44 -0.39 0.27 0.00 -0.60 0.00 0.00 56.93 56.66 3pcg s PHE 145 Cb -0.01 -1.73 1.71 0.00 0.51 0.00 0.00 43.02 43.49 3pcg s PHE 145 CO 0.26 -0.00 2.23 0.38 0.70 0.00 0.00 175.22 178.78 3pcg h ASP 146 N 5.99 0.00 -0.22 1.36 2.03 -1.42 -2.17 116.42 122.00 3pcg h ASP 146 Ca -0.36 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.94 3pcg h ASP 146 Cb 1.18 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.68 3pcg h ASP 146 CO 0.53 0.01 0.00 -0.90 -1.03 0.00 0.00 179.24 177.85 3pcg n ASP 147 N -3.96 1.46 -1.30 4.15 5.75 -1.26 -3.56 116.55 117.82 3pcg n ASP 147 Ca -0.03 -2.06 -0.03 0.00 -0.01 0.00 0.00 54.79 52.67 3pcg n ASP 147 Cb 0.09 -0.23 0.12 0.00 -1.03 0.00 0.00 41.12 40.07 3pcg n ASP 147 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3pcg n GLU 148 N 0.17 1.87 -0.30 0.11 -0.58 -0.81 -4.88 120.64 116.22 3pcg n GLU 148 Ca 0.08 -3.34 0.12 0.00 -0.42 0.00 0.00 57.16 53.60 3pcg n GLU 148 Cb 0.26 -1.53 0.28 0.00 -0.57 0.00 0.00 31.44 29.88 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 1.44 1.21 0.43 0.62 0.00 -1.73 0.30 119.26 121.54 3pcg h ALA 149 Ca 0.05 0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 3pcg h ALA 149 Cb 1.31 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.45 3pcg h ALA 149 CO 0.23 -0.47 -0.21 1.96 0.00 0.00 0.00 179.25 180.76 3pcg h GLN 150 N 0.18 -0.56 -0.28 0.00 4.20 -1.93 -1.94 115.11 114.78 3pcg h GLN 150 Ca 0.54 0.04 0.01 0.00 0.06 0.00 0.00 58.65 59.30 3pcg h GLN 150 Cb 1.08 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.97 3pcg h GLN 150 CO -0.68 -0.35 0.17 0.00 -0.67 0.00 0.00 178.83 177.30 3pcg h ALA 151 N -0.05 0.35 -0.75 3.87 0.00 -1.69 -3.00 119.26 117.98 3pcg h ALA 151 Ca -0.06 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 54.98 3pcg h ALA 151 Cb 0.46 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.06 3pcg h ALA 151 CO 0.10 -0.19 0.30 -0.91 0.00 0.00 0.00 179.25 178.54 3pcg h ASN 152 N 0.36 0.27 0.21 0.00 2.35 -0.91 -1.54 115.58 116.32 3pcg h ASN 152 Ca 0.11 0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.95 3pcg h ASN 152 Cb -0.02 0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 3pcg h ASN 152 CO -0.04 0.10 -0.06 0.00 -1.65 0.00 0.00 177.43 175.78 3pcg h ALA 153 N 1.55 1.34 -0.29 -0.83 0.00 -1.20 -2.34 119.26 117.48 3pcg h ALA 153 Ca 0.41 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3pcg h ALA 153 Cb 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3pcg h ALA 153 CO -0.40 0.07 0.00 1.63 0.00 0.00 0.00 179.25 180.55 3pcg n LYS 154 N -3.65 2.11 -2.21 0.00 5.02 -0.63 -4.95 118.16 113.86 3pcg n LYS 154 Ca -0.02 -1.91 -0.42 0.00 -2.02 0.00 0.00 58.31 53.93 3pcg n LYS 154 Cb 0.16 -1.35 -0.03 0.00 -0.02 0.00 0.00 35.03 33.80 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 8.67 0.00 0.00 0.00 0.13 -1.91 0.07 132.00 138.96 3pcg h PRO 156 Ca -0.34 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.67 3pcg h PRO 156 Cb 1.15 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 3pcg h PRO 156 CO 0.95 0.01 -0.64 0.28 -0.23 0.00 0.00 178.00 178.37 3pcg h VAL 157 N 0.00 1.32 -0.70 1.56 2.07 -1.94 -3.25 116.25 115.32 3pcg h VAL 157 Ca -0.00 -2.23 0.04 0.00 0.82 0.00 0.00 66.70 65.33 3pcg h VAL 157 Cb 0.10 2.73 -0.04 0.00 -1.52 0.00 0.00 31.29 32.56 3pcg h VAL 157 CO 0.00 0.45 0.46 0.25 0.02 0.00 0.00 177.57 178.75 3pcg h LEU 158 N -1.00 0.70 -1.13 2.57 5.85 -1.85 -1.04 115.31 119.40 3pcg h LEU 158 Ca -0.18 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.54 3pcg h LEU 158 Cb 1.14 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.01 3pcg h LEU 158 CO -0.11 0.47 0.00 0.78 -0.34 0.00 0.00 178.44 179.25 3pcg h ASN 159 N 0.81 0.00 1.03 1.25 2.35 -1.10 -2.11 115.58 117.81 3pcg h ASN 159 Ca 0.29 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.00 3pcg h ASN 159 Cb 0.12 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 3pcg h ASN 159 CO -0.08 0.00 -0.17 -0.07 -1.65 0.00 0.00 177.43 175.45 3pcg h LEU 160 N 0.00 0.00 -8.61 1.61 3.38 -1.21 -3.41 115.31 107.07 3pcg h LEU 160 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 3pcg h LEU 160 Cb 0.41 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 3pcg h LEU 160 CO 0.00 0.17 1.13 -0.63 0.09 0.00 0.00 178.44 179.20 3pcg s ILE 161 N -3.60 3.74 0.21 1.22 1.01 -0.80 -4.89 121.20 118.09 3pcg s ILE 161 Ca 0.01 0.64 -0.18 0.00 0.00 0.00 0.00 60.65 61.12 3pcg s ILE 161 Cb 0.09 -4.35 0.19 0.00 0.01 0.00 0.00 42.46 38.41 3pcg s ILE 161 CO 0.62 -1.09 1.58 -0.33 0.00 0.00 0.00 174.94 175.72 3pcg h GLU 162 N 11.41 -0.09 -5.18 2.79 5.08 -1.87 -3.39 114.58 123.34 3pcg h GLU 162 Ca -0.27 0.01 -0.64 0.00 -1.00 0.00 0.00 59.36 57.45 3pcg h GLU 162 Cb 1.10 0.02 -0.15 0.00 0.50 0.00 0.00 28.75 30.22 3pcg h GLU 162 CO 1.17 -0.06 -0.14 -0.65 -1.00 0.00 0.00 179.01 178.33 3pcg s GLN 163 N -6.01 3.77 0.33 2.33 -1.52 -1.26 -4.98 119.66 112.31 3pcg s GLN 163 Ca -0.14 -0.09 0.09 0.00 -1.95 0.00 0.00 55.36 53.27 3pcg s GLN 163 Cb 0.18 -3.75 0.86 0.00 -0.22 0.00 0.00 33.01 30.08 3pcg s GLN 163 CO 0.71 -0.49 1.76 -1.35 -0.25 0.00 0.00 175.29 175.67 3pcg h PRO 164 N 8.33 0.61 -0.08 2.91 0.11 -1.98 -0.18 132.00 141.72 3pcg h PRO 164 Ca -0.29 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.77 3pcg h PRO 164 Cb 1.14 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 3pcg h PRO 164 CO 0.72 0.41 -0.01 1.96 -0.21 0.00 0.00 178.00 180.87 3pcg h GLN 165 N 0.63 0.11 0.01 1.05 7.50 -1.95 -2.22 115.11 120.25 3pcg h GLN 165 Ca 0.60 -0.01 -0.19 0.00 0.50 0.00 0.00 58.65 59.55 3pcg h GLN 165 Cb 1.12 -0.02 -0.02 0.00 0.05 0.00 0.00 27.48 28.60 3pcg h GLN 165 CO -0.40 0.14 -0.90 0.00 -1.50 0.00 0.00 178.83 176.17 3pcg h ARG 166 N 0.12 0.07 -0.70 1.46 3.08 -1.42 -3.19 114.38 113.80 3pcg h ARG 166 Ca 0.03 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 60.02 3pcg h ARG 166 Cb 0.09 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 3pcg h ARG 166 CO 0.00 0.92 0.44 0.00 -1.07 0.00 0.00 179.97 180.26 3pcg h ARG 167 N 0.03 0.86 -0.30 0.04 3.08 -1.26 -1.28 114.38 115.56 3pcg h ARG 167 Ca -0.03 -0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.06 3pcg h ARG 167 Cb 1.56 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 31.41 3pcg h ARG 167 CO 0.12 0.57 0.28 0.93 -1.07 0.00 0.00 179.97 180.80 3pcg h GLU 168 N 0.88 0.00 0.00 0.04 5.08 -1.51 -1.64 114.58 117.44 3pcg h GLU 168 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3pcg h GLU 168 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3pcg h GLU 168 CO -0.09 0.00 0.00 1.79 -1.00 0.00 0.00 179.01 179.71 3pcg h THR 169 N 0.00 0.00 -0.58 1.13 1.35 -1.36 -2.37 112.91 111.08 3pcg h THR 169 Ca 0.14 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 3pcg h THR 169 Cb 0.70 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 3pcg h THR 169 CO -0.00 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.45 3pcg n LEU 170 N -2.62 3.60 -4.45 3.87 4.77 -0.61 -4.78 117.00 116.79 3pcg n LEU 170 Ca -0.00 -1.71 -0.38 0.00 -0.03 0.00 0.00 56.01 53.88 3pcg n LEU 170 Cb 0.16 -0.38 -0.12 0.00 -2.33 0.00 0.00 43.42 40.75 3pcg n LEU 170 CO 0.19 0.86 -0.22 -0.63 -1.33 0.00 0.00 177.39 176.25 3pcg s ILE 171 N -1.23 4.56 0.33 -0.08 1.01 -0.89 -0.40 121.20 124.49 3pcg s ILE 171 Ca 0.44 -0.34 -0.28 0.00 0.00 0.00 0.00 60.65 60.48 3pcg s ILE 171 Cb 0.24 -3.27 -0.09 0.00 0.01 0.00 0.00 42.46 39.34 3pcg s ILE 171 CO 0.32 0.14 1.13 0.00 0.00 0.00 0.00 174.94 176.53 3pcg s ALA 172 N 1.62 3.31 -0.34 9.38 0.00 0.23 -4.79 121.76 131.17 3pcg s ALA 172 Ca 0.05 0.92 -0.15 0.00 0.00 0.00 0.00 51.96 52.78 3pcg s ALA 172 Cb -0.17 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.60 3pcg s ALA 172 CO 0.06 -0.30 0.37 0.15 0.00 0.00 0.00 175.76 176.04 3pcg s LYS 173 N -1.83 3.56 0.35 0.00 1.02 -0.76 -1.09 119.74 120.99 3pcg s LYS 173 Ca 0.50 -0.41 -0.29 0.00 0.02 0.00 0.00 55.97 55.79 3pcg s LYS 173 Cb -0.31 -3.80 -0.11 0.00 -0.52 0.00 0.00 37.83 33.09 3pcg s LYS 173 CO 0.40 -0.53 1.45 0.50 -0.92 0.00 0.00 175.35 176.25 3pcg s ARG 174 N 2.03 4.18 0.00 1.68 3.52 -1.26 -1.05 118.95 128.05 3pcg s ARG 174 Ca 0.12 2.46 0.00 0.00 -0.13 0.00 0.00 55.73 58.18 3pcg s ARG 174 Cb -0.16 -3.01 0.00 0.00 -1.56 0.00 0.00 34.95 30.22 3pcg s ARG 174 CO 0.12 -0.45 0.00 0.00 -0.81 0.00 0.00 175.30 174.16 3pcg s GLU 176 N -1.30 0.01 -0.12 0.00 2.56 -1.25 -1.24 118.70 117.35 3pcg s GLU 176 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 54.97 54.99 3pcg s GLU 176 Cb 0.00 -0.02 0.04 0.00 2.00 0.00 0.00 34.13 36.15 3pcg s GLU 176 CO 0.00 -0.02 -0.01 0.08 -0.56 0.00 0.00 175.26 174.75 3pcg s VAL 177 N 0.11 0.61 -1.31 3.70 1.01 0.42 -4.75 120.40 120.20 3pcg s VAL 177 Ca -0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 3pcg s VAL 177 Cb -0.01 -0.83 -0.00 0.00 0.00 0.00 0.00 36.38 35.53 3pcg s VAL 177 CO -0.00 0.15 0.62 0.47 0.00 0.00 0.00 175.10 176.34 3pcg n ASP 178 N 5.06 -1.58 -2.21 3.32 8.00 -1.26 0.12 116.55 128.00 3pcg n ASP 178 Ca -0.09 -0.91 -0.15 0.00 0.71 0.00 0.00 54.79 54.35 3pcg n ASP 178 Cb 0.49 -3.64 -0.02 0.00 -0.02 0.00 0.00 41.12 37.94 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 -1.73 -0.08 3.56 0.44 0.00 -1.26 -4.95 105.19 101.18 3pcg n GLY 179 Ca -0.27 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 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 -4.64 2.82 -0.01 1.61 2.47 0.32 -5.07 119.74 117.23 3pcg s LYS 180 Ca 0.00 -0.56 -0.30 0.00 -1.56 0.00 0.00 55.97 53.55 3pcg s LYS 180 Cb 0.00 -2.60 -0.06 0.00 -1.46 0.00 0.00 37.83 33.71 3pcg s LYS 180 CO 0.00 0.62 1.50 0.99 0.16 0.00 0.00 175.35 178.62 3pcg s THR 181 N -0.69 3.58 0.15 3.43 2.01 -1.26 0.16 115.64 123.02 3pcg s THR 181 Ca 0.10 0.91 0.02 0.00 0.31 0.00 0.00 61.69 63.04 3pcg s THR 181 Cb -0.11 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 3pcg s THR 181 CO 0.02 -0.02 -0.02 0.00 -0.69 0.00 0.00 174.62 173.90 3pcg s ALA 182 N 2.87 1.27 -0.02 7.40 0.00 -0.37 -1.36 121.76 131.54 3pcg s ALA 182 Ca 0.67 -1.53 -0.00 0.00 0.00 0.00 0.00 51.96 51.10 3pcg s ALA 182 Cb -0.33 0.42 0.03 0.00 0.00 0.00 0.00 23.12 23.24 3pcg s ALA 182 CO 0.28 -0.28 0.04 0.71 0.00 0.00 0.00 175.76 176.50 3pcg s TYR 183 N -3.63 0.00 -0.18 0.00 1.51 -0.16 0.23 117.35 115.13 3pcg s TYR 183 Ca 0.20 0.16 -0.13 0.00 -1.01 0.00 0.00 57.07 56.29 3pcg s TYR 183 Cb 0.06 -0.20 -0.05 0.00 -0.11 0.00 0.00 41.96 41.66 3pcg s TYR 183 CO 0.02 -0.09 0.28 0.50 -1.11 0.00 0.00 175.55 175.14 3pcg s ARG 184 N 0.99 4.21 -0.35 -0.62 3.52 -0.22 -2.44 118.95 124.04 3pcg s ARG 184 Ca -0.08 0.04 0.00 0.00 -0.13 0.00 0.00 55.73 55.56 3pcg s ARG 184 Cb -0.12 -3.46 0.11 0.00 -1.56 0.00 0.00 34.95 29.93 3pcg s ARG 184 CO -0.03 0.17 0.14 0.12 -0.81 0.00 0.00 175.30 174.89 3pcg s PHE 185 N 0.70 1.78 0.07 5.12 5.36 0.08 -1.83 117.98 129.25 3pcg s PHE 185 Ca 0.15 -1.96 -0.16 0.00 -0.96 0.00 0.00 56.93 53.99 3pcg s PHE 185 Cb -0.13 -1.75 -0.06 0.00 -0.34 0.00 0.00 43.02 40.74 3pcg s PHE 185 CO 0.04 -0.85 0.50 -0.51 -1.46 0.00 0.00 175.22 172.95 3pcg s ASP 186 N 1.20 6.91 -0.12 6.13 1.01 -1.26 -3.99 116.67 126.55 3pcg s ASP 186 Ca 0.13 1.10 0.01 0.00 0.71 0.00 0.00 52.55 54.50 3pcg s ASP 186 Cb -0.20 -2.30 -0.01 0.00 1.01 0.00 0.00 42.92 41.42 3pcg s ASP 186 CO -0.16 0.25 -0.16 -0.63 0.21 0.00 0.00 175.17 174.69 3pcg s ILE 187 N -1.19 2.83 -0.29 0.77 1.01 -0.56 -4.97 121.20 118.80 3pcg s ILE 187 Ca 0.29 -0.75 0.03 0.00 0.00 0.00 0.00 60.65 60.23 3pcg s ILE 187 Cb -0.17 -2.16 0.08 0.00 0.01 0.00 0.00 42.46 40.21 3pcg s ILE 187 CO 0.17 0.54 -0.04 -0.13 0.00 0.00 0.00 174.94 175.48 3pcg s ARG 188 N 0.25 1.86 0.35 2.79 0.52 -1.26 -0.40 118.95 123.05 3pcg s ARG 188 Ca -0.11 -1.50 0.04 0.00 -0.52 0.00 0.00 55.73 53.65 3pcg s ARG 188 Cb -0.16 -2.95 0.64 0.00 0.52 0.00 0.00 34.95 33.00 3pcg s ARG 188 CO 0.06 -0.72 1.92 0.82 0.02 0.00 0.00 175.30 177.40 3pcg h ILE 189 N 6.69 1.18 -3.40 1.52 2.04 -1.47 0.55 117.51 124.63 3pcg h ILE 189 Ca -0.13 -0.62 -0.15 0.00 1.00 0.00 0.00 64.86 64.95 3pcg h ILE 189 Cb 1.03 0.76 -0.22 0.00 -0.74 0.00 0.00 36.82 37.66 3pcg h ILE 189 CO 0.48 0.23 -0.47 -1.58 0.00 0.00 0.00 178.15 176.80 3pcg s GLN 190 N -5.17 0.42 1.62 2.37 0.74 -1.26 -4.77 119.66 113.61 3pcg s GLN 190 Ca -0.08 -0.17 0.00 0.00 0.05 0.00 0.00 55.36 55.16 3pcg s GLN 190 Cb 0.16 0.18 0.00 0.00 1.10 0.00 0.00 33.01 34.45 3pcg s GLN 190 CO 0.76 -0.09 0.00 0.41 -0.55 0.00 0.00 175.29 175.82 3pcg n GLY 191 N 1.92 -0.83 3.69 2.59 0.00 -1.26 -4.12 105.19 107.17 3pcg n GLY 191 Ca -0.19 -1.46 -0.52 0.00 0.00 0.00 0.00 46.02 43.85 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 1.72 -1.16 1.61 2.13 -1.26 0.26 120.64 123.94 3pcg n GLU 192 Ca 0.00 0.63 -0.06 0.00 0.66 0.00 0.00 57.16 58.39 3pcg n GLU 192 Cb 0.00 -2.39 -0.02 0.00 0.27 0.00 0.00 31.44 29.29 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 4.11 0.81 3.63 8.31 0.00 -1.26 -4.95 105.19 115.84 3pcg n GLY 193 Ca 0.23 -0.73 -0.50 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.76 1.54 -2.25 1.61 2.13 0.14 -4.61 120.64 116.44 3pcg n GLU 194 Ca -0.06 0.56 -0.39 0.00 0.66 0.00 0.00 57.16 57.93 3pcg n GLU 194 Cb 0.19 -2.26 -0.02 0.00 0.27 0.00 0.00 31.44 29.62 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 1.13 3.04 0.31 6.31 2.01 0.18 -4.97 115.64 123.65 3pcg s THR 195 Ca 0.84 0.93 -0.29 0.00 0.31 0.00 0.00 61.69 63.48 3pcg s THR 195 Cb -0.86 -3.55 -0.10 0.00 0.01 0.00 0.00 72.50 68.00 3pcg s THR 195 CO 0.46 0.14 1.27 -0.69 -0.69 0.00 0.00 174.62 175.11 3pcg s VAL 196 N -1.31 2.89 -0.01 3.82 1.01 -1.26 -4.95 120.40 120.59 3pcg s VAL 196 Ca 0.54 0.88 0.05 0.00 0.00 0.00 0.00 61.98 63.45 3pcg s VAL 196 Cb -0.34 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 3pcg s VAL 196 CO 0.43 0.20 -0.17 -0.36 0.00 0.00 0.00 175.10 175.20 3pcg s PHE 197 N -1.03 1.53 0.29 5.22 0.08 -1.26 -4.64 117.98 118.16 3pcg s PHE 197 Ca 0.49 -0.30 0.07 0.00 0.12 0.00 0.00 56.93 57.31 3pcg s PHE 197 Cb -0.38 -0.99 -0.03 0.00 -0.57 0.00 0.00 43.02 41.05 3pcg s PHE 197 CO 0.49 -0.03 0.25 -0.06 -0.10 0.00 0.00 175.22 175.77 3pcg s PHE 198 N -0.37 3.04 -0.03 0.36 0.08 0.12 -4.99 117.98 116.18 3pcg s PHE 198 Ca 0.06 -0.19 0.04 0.00 0.12 0.00 0.00 56.93 56.96 3pcg s PHE 198 Cb -0.07 -1.59 -0.00 0.00 -0.57 0.00 0.00 43.02 40.79 3pcg s PHE 198 CO -0.01 0.36 -0.13 0.34 -0.10 0.00 0.00 175.22 175.68 3pcg s ASP 199 N -3.92 1.68 0.00 1.36 2.15 -1.26 -4.35 116.67 112.33 3pcg s ASP 199 Ca 0.37 -0.27 0.00 0.00 0.43 0.00 0.00 52.55 53.08 3pcg s ASP 199 Cb -0.07 -0.39 0.00 0.00 -0.30 0.00 0.00 42.92 42.16 3pcg s ASP 199 CO 0.26 0.13 0.00 2.22 -0.17 0.00 0.00 175.17 177.60