#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 4.73 -0.09 4.25 -1.09 -1.26 -5.06 121.20 122.68 3pcg s ILE 2 Ca 0.00 1.95 0.04 0.00 -2.23 0.00 0.00 60.65 60.41 3pcg s ILE 2 Cb 0.00 -4.27 0.00 0.00 -1.58 0.00 0.00 42.46 36.61 3pcg s ILE 2 CO 0.00 0.25 -0.22 -1.61 -1.23 0.00 0.00 174.94 172.13 3pcg s GLU 3 N 0.47 2.79 0.24 2.79 0.41 -1.26 -5.14 118.70 119.01 3pcg s GLU 3 Ca 0.47 -0.80 -0.01 0.00 -0.41 0.00 0.00 54.97 54.22 3pcg s GLU 3 Cb -0.21 -2.14 0.05 0.00 -1.78 0.00 0.00 34.13 30.05 3pcg s GLU 3 CO 0.27 0.17 0.33 1.28 -0.49 0.00 0.00 175.26 176.83 3pcg n LEU 4 N 3.52 0.00 -4.76 1.80 4.32 -1.26 -5.04 117.00 115.58 3pcg n LEU 4 Ca -0.19 -0.65 -0.40 0.00 -0.02 0.00 0.00 56.01 54.74 3pcg n LEU 4 Cb 0.53 -0.22 -0.03 0.00 -1.62 0.00 0.00 43.42 42.07 3pcg n LEU 4 CO 0.27 -0.68 0.87 -0.76 -1.22 0.00 0.00 177.39 175.88 3pcg s LEU 5 N 0.00 4.50 0.33 2.23 1.43 -1.26 -4.97 118.68 120.93 3pcg s LEU 5 Ca 0.22 2.44 -0.27 0.00 -1.03 0.00 0.00 54.13 55.48 3pcg s LEU 5 Cb -0.01 -3.64 -0.09 0.00 0.03 0.00 0.00 46.19 42.48 3pcg s LEU 5 CO 0.14 -0.30 1.09 -2.16 0.23 0.00 0.00 176.35 175.35 3pcg s PRO 6 N -1.57 4.45 0.50 1.29 0.04 -1.26 -5.01 135.00 133.44 3pcg s PRO 6 Ca 0.46 1.72 -0.22 0.00 0.04 0.00 0.00 61.00 63.01 3pcg s PRO 6 Cb -0.35 -2.95 -0.06 0.00 0.04 0.00 0.00 34.50 31.17 3pcg s PRO 6 CO 0.46 0.06 1.19 -2.00 0.04 0.00 0.00 177.00 176.75 3pcg s GLU 7 N -1.83 3.51 0.24 4.56 2.12 -1.26 -4.94 118.70 121.10 3pcg s GLU 7 Ca 0.49 1.81 -0.31 0.00 0.36 0.00 0.00 54.97 57.32 3pcg s GLU 7 Cb -0.29 -2.25 -0.11 0.00 0.26 0.00 0.00 34.13 31.74 3pcg s GLU 7 CO 0.37 -0.77 1.56 0.99 -0.54 0.00 0.00 175.26 176.88 3pcg s THR 8 N -1.57 2.36 0.46 -1.70 2.01 -1.26 -4.94 115.64 111.01 3pcg s THR 8 Ca 0.68 0.29 -0.24 0.00 0.31 0.00 0.00 61.69 62.73 3pcg s THR 8 Cb -0.29 -3.18 -0.07 0.00 0.01 0.00 0.00 72.50 68.96 3pcg s THR 8 CO 0.35 0.04 1.28 -2.84 -0.69 0.00 0.00 174.62 172.75 3pcg s PRO 9 N 0.19 3.67 0.62 4.92 0.02 -1.26 -5.03 135.00 138.13 3pcg s PRO 9 Ca 0.66 2.06 -0.12 0.00 0.02 0.00 0.00 61.00 63.62 3pcg s PRO 9 Cb -0.45 -2.51 -0.03 0.00 0.02 0.00 0.00 34.50 31.53 3pcg s PRO 9 CO 0.40 -0.71 1.03 0.45 -0.33 0.00 0.00 177.00 177.84 3pcg s SER 10 N -0.99 6.05 -0.01 2.53 0.15 -1.26 -5.08 113.70 115.09 3pcg s SER 10 Ca 0.63 1.51 -0.08 0.00 0.70 0.00 0.00 55.95 58.71 3pcg s SER 10 Cb -0.36 -2.49 0.01 0.00 -1.71 0.00 0.00 66.02 61.47 3pcg s SER 10 CO 0.44 -0.99 0.17 -1.10 1.20 0.00 0.00 173.24 172.97 3pcg s GLN 11 N -4.92 0.47 0.54 5.44 -1.52 -1.19 -4.90 119.66 113.58 3pcg s GLN 11 Ca 0.57 -0.25 -0.20 0.00 -1.95 0.00 0.00 55.36 53.52 3pcg s GLN 11 Cb -0.12 0.20 -0.06 0.00 -0.22 0.00 0.00 33.01 32.81 3pcg s GLN 11 CO 0.50 -0.11 1.04 -2.37 -0.25 0.00 0.00 175.29 174.10 3pcg n THR 12 N 1.69 3.36 0.20 -0.19 5.66 -1.22 -4.82 114.28 118.94 3pcg n THR 12 Ca -0.21 -0.50 0.05 0.00 -3.05 0.00 0.00 64.05 60.35 3pcg n THR 12 Cb 0.56 -1.24 0.41 0.00 -1.55 0.00 0.00 70.33 68.51 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 0.93 1.18 -0.20 1.79 0.00 -1.76 -3.49 119.26 117.70 3pcg h ALA 13 Ca -0.48 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.14 3pcg h ALA 13 Cb 1.35 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3pcg h ALA 13 CO 0.53 0.43 -0.04 0.41 0.00 0.00 0.00 179.25 180.58 3pcg n GLY 14 N -0.18 -1.56 0.25 0.00 0.00 -1.26 -3.89 105.19 98.55 3pcg n GLY 14 Ca -0.01 -1.50 0.10 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.08 0.00 -0.63 1.61 0.13 -1.93 -3.09 132.00 128.01 3pcg h PRO 15 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3pcg h PRO 15 Cb 0.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.21 3pcg h PRO 15 CO 0.00 0.13 0.00 0.66 -0.23 0.00 0.00 178.00 178.57 3pcg n TYR 16 N -3.88 1.77 -0.34 1.56 4.01 -1.26 -4.60 117.16 114.42 3pcg n TYR 16 Ca -0.02 -0.65 0.23 0.00 -0.16 0.00 0.00 57.90 57.30 3pcg n TYR 16 Cb 0.23 -0.39 0.46 0.00 -0.31 0.00 0.00 39.34 39.33 3pcg n TYR 16 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 3pcg h VAL 17 N 3.93 0.36 -0.99 -0.72 3.04 -1.65 -1.49 116.25 118.71 3pcg h VAL 17 Ca 0.00 -0.13 0.22 0.00 -1.01 0.00 0.00 66.70 65.78 3pcg h VAL 17 Cb 1.71 -0.06 -0.10 0.00 -2.01 0.00 0.00 31.29 30.83 3pcg h VAL 17 CO 0.37 0.07 0.62 0.45 -1.01 0.00 0.00 177.57 178.07 3pcg h HIS 18 N 0.38 0.86 -0.47 3.17 3.86 -1.86 -0.27 115.15 120.81 3pcg h HIS 18 Ca 0.71 0.03 0.05 0.00 -1.16 0.00 0.00 60.37 60.00 3pcg h HIS 18 Cb 1.59 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 29.78 3pcg h HIS 18 CO -0.01 0.16 0.32 -0.84 0.86 0.00 0.00 177.93 178.42 3pcg h ILE 19 N 0.58 0.99 0.03 2.45 3.07 -1.51 0.44 117.51 123.57 3pcg h ILE 19 Ca 0.57 -0.15 -0.33 0.00 1.55 0.00 0.00 64.86 66.50 3pcg h ILE 19 Cb 1.14 0.51 -0.05 0.00 -0.27 0.00 0.00 36.82 38.15 3pcg h ILE 19 CO -0.33 0.08 -1.96 0.61 -1.05 0.00 0.00 178.15 175.50 3pcg n GLY 20 N -1.50 -0.85 0.00 0.16 0.00 -0.20 -4.59 105.19 98.21 3pcg n GLY 20 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3pcg n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3pcg n LEU 21 N -3.11 0.72 -2.90 0.99 4.77 -0.67 -4.84 117.00 111.96 3pcg n LEU 21 Ca -0.26 -0.78 -0.13 0.00 -0.03 0.00 0.00 56.01 54.81 3pcg n LEU 21 Cb 1.07 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 42.19 3pcg n LEU 21 CO 0.43 0.18 0.10 0.00 -1.33 0.00 0.00 177.39 176.77 3pcg n ALA 22 N -0.12 0.17 -0.16 -1.18 0.00 0.15 -4.97 120.51 114.39 3pcg n ALA 22 Ca 0.00 -2.16 -0.08 0.00 0.00 0.00 0.00 53.44 51.20 3pcg n ALA 22 Cb 0.03 -1.09 -0.02 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 3.27 -1.29 -0.36 0.00 4.07 -1.72 0.44 115.31 119.72 3pcg h LEU 23 Ca -0.04 0.22 0.07 0.00 0.08 0.00 0.00 57.88 58.21 3pcg h LEU 23 Cb 1.03 0.60 -0.09 0.00 1.08 0.00 0.00 40.66 43.28 3pcg h LEU 23 CO 0.30 -0.33 -0.38 -0.08 -1.08 0.00 0.00 178.44 176.86 3pcg h GLU 24 N -0.24 -0.31 -0.82 1.13 4.81 -1.88 0.05 114.58 117.31 3pcg h GLU 24 Ca 0.18 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.49 3pcg h GLU 24 Cb 0.56 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.95 3pcg h GLU 24 CO -0.62 -0.21 0.50 0.00 -0.73 0.00 0.00 179.01 177.95 3pcg h ALA 25 N 0.52 1.13 0.00 2.92 0.00 -1.46 0.68 119.26 123.05 3pcg h ALA 25 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3pcg h ALA 25 Cb 0.57 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3pcg h ALA 25 CO -0.53 0.23 0.00 0.00 0.00 0.00 0.00 179.25 178.95 3pcg n ALA 26 N -2.35 1.36 -2.43 0.00 0.00 0.14 -4.81 120.51 112.41 3pcg n ALA 26 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.47 3pcg n ALA 26 Cb 0.18 -1.17 0.01 0.00 0.00 0.00 0.00 19.45 18.47 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 0.10 3.54 0.00 0.00 0.24 -4.95 105.19 103.44 3pcg n GLY 27 Ca 0.02 -0.43 -0.27 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 -2.77 4.09 0.48 1.61 0.01 -0.37 -5.02 114.94 112.96 3pcg s ASN 28 Ca 0.08 -0.64 -0.23 0.00 -0.71 0.00 0.00 52.86 51.36 3pcg s ASN 28 Cb -0.04 -0.63 -0.08 0.00 0.41 0.00 0.00 41.25 40.92 3pcg s ASN 28 CO 0.10 0.10 1.13 -0.81 -1.51 0.00 0.00 177.10 176.11 3pcg n PRO 29 N 0.06 1.48 -3.01 -0.60 -0.04 -1.26 -3.71 135.00 127.92 3pcg n PRO 29 Ca -0.11 0.54 -0.17 0.00 -0.04 0.00 0.00 63.50 63.71 3pcg n PRO 29 Cb 0.56 -2.25 0.02 0.00 -0.04 0.00 0.00 33.50 31.79 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 -1.31 2.87 0.61 0.52 -4.23 -1.26 -4.83 115.64 108.01 3pcg s THR 30 Ca 0.66 -1.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.24 3pcg s THR 30 Cb -0.49 -2.87 0.10 0.00 1.34 0.00 0.00 72.50 70.57 3pcg s THR 30 CO 0.54 0.00 0.85 -0.13 -0.54 0.00 0.00 174.62 175.34 3pcg s ARG 31 N -4.40 2.13 0.20 3.99 0.52 -1.26 -5.00 118.95 115.13 3pcg s ARG 31 Ca 0.56 -1.48 -0.10 0.00 -0.52 0.00 0.00 55.73 54.19 3pcg s ARG 31 Cb -0.09 -2.56 0.25 0.00 0.52 0.00 0.00 34.95 33.07 3pcg s ARG 31 CO 0.34 -1.03 1.76 -0.44 0.02 0.00 0.00 175.30 175.95 3pcg h ASP 32 N -0.02 0.29 -3.22 0.23 3.32 -2.07 -3.39 116.42 111.55 3pcg h ASP 32 Ca -0.32 0.07 -0.67 0.00 0.02 0.00 0.00 57.03 56.12 3pcg h ASP 32 Cb 1.28 0.03 -0.33 0.00 0.22 0.00 0.00 39.33 40.52 3pcg h ASP 32 CO 0.41 0.18 -0.86 -1.10 -1.72 0.00 0.00 179.24 176.14 3pcg s GLN 33 N -6.10 3.05 0.03 3.56 -0.21 -1.26 -5.11 119.66 113.62 3pcg s GLN 33 Ca -0.13 -0.84 0.04 0.00 0.02 0.00 0.00 55.36 54.45 3pcg s GLN 33 Cb 0.16 -2.45 -0.02 0.00 1.00 0.00 0.00 33.01 31.70 3pcg s GLN 33 CO 0.74 0.00 -0.11 -1.21 -2.12 0.00 0.00 175.29 172.59 3pcg s GLU 34 N 0.78 0.79 -0.38 2.91 0.41 -1.26 -5.11 118.70 116.84 3pcg s GLU 34 Ca -0.08 -0.63 -0.21 0.00 -0.41 0.00 0.00 54.97 53.65 3pcg s GLU 34 Cb -0.16 -0.75 0.01 0.00 -1.78 0.00 0.00 34.13 31.45 3pcg s GLU 34 CO -0.01 0.19 0.64 0.42 -0.49 0.00 0.00 175.26 176.01 3pcg s ILE 35 N -0.76 4.87 0.00 -1.63 1.01 -1.26 -5.02 121.20 118.41 3pcg s ILE 35 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 60.65 61.13 3pcg s ILE 35 Cb -0.07 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 38.29 3pcg s ILE 35 CO 0.01 -0.38 0.00 1.87 0.00 0.00 0.00 174.94 176.43 3pcg n TRP 36 N 6.11 0.00 0.39 3.97 -0.00 -1.26 -4.59 117.44 122.05 3pcg n TRP 36 Ca -0.01 0.00 0.06 0.00 -0.00 0.00 0.00 57.50 57.55 3pcg n TRP 36 Cb 0.48 0.00 0.21 0.00 -0.00 0.00 0.00 31.31 32.00 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 2.79 -4.15 5.87 6.94 -0.57 -1.33 115.26 124.82 3pcg n ASN 37 Ca 0.00 -2.17 -0.38 0.00 -0.02 0.00 0.00 54.58 52.01 3pcg n ASN 37 Cb 0.00 -0.39 -0.10 0.00 -2.36 0.00 0.00 39.78 36.93 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 -1.61 2.40 0.15 -3.83 6.06 -1.26 -0.80 118.95 120.07 3pcg s ARG 38 Ca 0.30 -2.08 0.02 0.00 -2.50 0.00 0.00 55.73 51.46 3pcg s ARG 38 Cb 0.18 -3.77 -0.06 0.00 0.06 0.00 0.00 34.95 31.36 3pcg s ARG 38 CO 0.17 -1.15 1.34 -0.07 -2.50 0.00 0.00 175.30 173.09 3pcg h LEU 39 N 7.79 0.27 -8.55 -0.88 4.07 -1.01 -3.46 115.31 113.53 3pcg h LEU 39 Ca -0.10 -0.23 -0.64 0.00 0.08 0.00 0.00 57.88 56.99 3pcg h LEU 39 Cb 1.02 -0.08 -0.29 0.00 1.08 0.00 0.00 40.66 42.39 3pcg h LEU 39 CO 0.75 1.06 -0.87 0.00 -1.08 0.00 0.00 178.44 178.30 3pcg s ALA 40 N -3.11 1.94 0.30 1.53 0.00 -1.19 0.12 121.76 121.36 3pcg s ALA 40 Ca -0.03 -1.04 -0.17 0.00 0.00 0.00 0.00 51.96 50.72 3pcg s ALA 40 Cb 0.10 -0.47 -0.09 0.00 0.00 0.00 0.00 23.12 22.66 3pcg s ALA 40 CO 0.84 0.47 0.76 0.15 0.00 0.00 0.00 175.76 177.97 3pcg s LYS 41 N -0.73 4.11 0.46 0.00 1.02 0.29 -4.85 119.74 120.04 3pcg s LYS 41 Ca 0.09 0.79 0.34 0.00 0.02 0.00 0.00 55.97 57.21 3pcg s LYS 41 Cb -0.09 -2.55 1.50 0.00 -0.52 0.00 0.00 37.83 36.17 3pcg s LYS 41 CO -0.00 0.21 1.61 -1.35 -0.92 0.00 0.00 175.35 174.90 3pcg h PRO 42 N 2.59 0.05 -0.56 -1.68 0.11 -2.00 0.67 132.00 131.17 3pcg h PRO 42 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3pcg h PRO 42 Cb 1.18 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3pcg h PRO 42 CO 0.65 0.03 0.00 -0.40 -0.21 0.00 0.00 178.00 178.07 3pcg n ASP 43 N -4.57 2.62 -4.75 -2.05 5.68 -1.26 -4.88 116.55 107.34 3pcg n ASP 43 Ca 0.39 -2.21 -0.40 0.00 -0.50 0.00 0.00 54.79 52.07 3pcg n ASP 43 Cb 1.56 -0.40 -0.05 0.00 -1.14 0.00 0.00 41.12 41.08 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 -1.67 3.34 0.68 2.12 0.00 0.23 -5.02 121.76 121.44 3pcg s ALA 44 Ca 0.26 0.52 -0.16 0.00 0.00 0.00 0.00 51.96 52.58 3pcg s ALA 44 Cb 0.17 -3.15 0.01 0.00 0.00 0.00 0.00 23.12 20.14 3pcg s ALA 44 CO 0.13 0.15 1.20 -1.25 0.00 0.00 0.00 175.76 175.98 3pcg s PRO 45 N -0.73 2.50 0.00 0.00 0.04 -1.26 -4.90 135.00 130.65 3pcg s PRO 45 Ca 0.41 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.19 3pcg s PRO 45 Cb -0.24 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.42 3pcg s PRO 45 CO 0.29 -1.55 0.00 0.41 0.04 0.00 0.00 177.00 176.19 3pcg n GLY 46 N 0.30 1.74 3.64 0.56 0.00 -1.26 -4.59 105.19 105.58 3pcg n GLY 46 Ca 0.13 -2.09 -0.43 0.00 0.00 0.00 0.00 46.02 43.63 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 -1.87 4.13 0.28 1.61 2.02 -1.26 -4.94 118.70 118.66 3pcg s GLU 47 Ca 0.00 1.11 -0.29 0.00 0.02 0.00 0.00 54.97 55.81 3pcg s GLU 47 Cb 0.00 -3.70 -0.09 0.00 0.10 0.00 0.00 34.13 30.44 3pcg s GLU 47 CO 0.00 -0.77 1.08 -1.01 0.02 0.00 0.00 175.26 174.58 3pcg s HIS 48 N 3.39 3.63 0.07 1.61 3.76 -1.26 -1.11 115.29 125.37 3pcg s HIS 48 Ca 0.43 1.73 -0.01 0.00 -0.15 0.00 0.00 55.06 57.06 3pcg s HIS 48 Cb -0.13 -3.25 -0.04 0.00 1.11 0.00 0.00 32.58 30.27 3pcg s HIS 48 CO 0.12 -0.43 -0.01 0.96 -0.85 0.00 0.00 174.74 174.53 3pcg s ILE 49 N -1.17 0.20 -0.16 0.60 -4.36 0.16 -4.69 121.20 111.77 3pcg s ILE 49 Ca 0.44 -1.83 -0.01 0.00 -0.26 0.00 0.00 60.65 58.99 3pcg s ILE 49 Cb -0.31 -1.64 -0.01 0.00 1.25 0.00 0.00 42.46 41.75 3pcg s ILE 49 CO 0.40 -0.88 -0.13 -0.22 0.24 0.00 0.00 174.94 174.35 3pcg s LEU 50 N -2.95 2.61 -0.07 0.37 2.96 -0.31 -2.25 118.68 119.03 3pcg s LEU 50 Ca 0.11 -0.42 0.04 0.00 -0.22 0.00 0.00 54.13 53.64 3pcg s LEU 50 Cb 0.08 -1.60 -0.01 0.00 0.50 0.00 0.00 46.19 45.15 3pcg s LEU 50 CO -0.07 0.09 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.08 3pcg s LEU 51 N 0.80 2.33 0.08 -0.68 1.43 -0.73 -0.77 118.68 121.14 3pcg s LEU 51 Ca -0.05 -0.41 -0.08 0.00 -1.03 0.00 0.00 54.13 52.57 3pcg s LEU 51 Cb -0.15 -1.46 -0.01 0.00 0.03 0.00 0.00 46.19 44.61 3pcg s LEU 51 CO 0.01 0.25 0.16 -1.48 0.23 0.00 0.00 176.35 175.52 3pcg s LEU 52 N -0.21 1.58 -0.04 1.79 -0.00 -0.87 -1.03 118.68 119.90 3pcg s LEU 52 Ca -0.01 -0.68 -0.31 0.00 -0.00 0.00 0.00 54.13 53.13 3pcg s LEU 52 Cb -0.13 0.90 0.12 0.00 -0.00 0.00 0.00 46.19 47.08 3pcg s LEU 52 CO 0.03 -0.69 1.33 -0.83 -0.00 0.00 0.00 176.35 176.19 3pcg s GLY 53 N -2.80 -0.39 0.22 -3.48 0.00 -1.05 0.28 107.32 100.09 3pcg s GLY 53 Ca 0.04 0.66 0.07 0.00 0.00 0.00 0.00 44.72 45.49 3pcg s GLY 53 CO -0.10 1.10 -0.12 1.20 0.00 0.00 0.00 173.10 175.17 3pcg s GLN 54 N -2.25 1.36 -0.06 2.90 -0.21 -1.25 -1.42 119.66 118.73 3pcg s GLN 54 Ca 0.17 -1.63 0.04 0.00 0.02 0.00 0.00 55.36 53.97 3pcg s GLN 54 Cb 0.05 -1.10 -0.00 0.00 1.00 0.00 0.00 33.01 32.96 3pcg s GLN 54 CO -0.04 0.15 -0.20 0.08 -2.12 0.00 0.00 175.29 173.16 3pcg s VAL 55 N -3.00 1.68 0.06 1.09 1.01 -1.26 -1.06 120.40 118.92 3pcg s VAL 55 Ca 0.24 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.46 3pcg s VAL 55 Cb 0.00 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 3pcg s VAL 55 CO 0.08 0.47 -0.19 -0.31 0.00 0.00 0.00 175.10 175.16 3pcg s TYR 56 N 0.16 2.54 0.49 5.22 1.51 -0.13 -0.85 117.35 126.30 3pcg s TYR 56 Ca -0.09 -0.27 -0.04 0.00 -1.01 0.00 0.00 57.07 55.67 3pcg s TYR 56 Cb -0.14 -1.43 0.10 0.00 -0.11 0.00 0.00 41.96 40.38 3pcg s TYR 56 CO 0.04 0.28 0.67 -0.40 -1.11 0.00 0.00 175.55 175.04 3pcg n ASP 57 N 1.37 0.56 0.10 2.29 5.68 0.13 -1.21 116.55 125.46 3pcg n ASP 57 Ca -0.16 -1.55 0.10 0.00 -0.50 0.00 0.00 54.79 52.68 3pcg n ASP 57 Cb 0.52 -0.47 0.44 0.00 -1.14 0.00 0.00 41.12 40.47 3pcg n ASP 57 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3pcg n GLY 58 N 0.14 -1.15 0.68 6.12 0.00 -1.26 -2.06 105.19 107.66 3pcg n GLY 58 Ca 0.10 0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.30 3pcg n GLY 58 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3pcg n ASN 59 N -2.04 2.28 0.00 1.61 3.02 -1.26 -4.80 115.26 114.07 3pcg n ASN 59 Ca 0.02 -1.67 0.00 0.00 -0.03 0.00 0.00 54.58 52.90 3pcg n ASN 59 Cb 0.19 0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 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 1.33 0.68 3.88 7.41 0.00 -0.87 -5.06 105.19 112.57 3pcg n GLY 60 Ca 0.14 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 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 3.46 0.30 1.61 3.76 -1.26 -4.79 115.29 116.36 3pcg s HIS 61 Ca 0.00 0.72 -0.29 0.00 -0.15 0.00 0.00 55.06 55.34 3pcg s HIS 61 Cb 0.00 -2.13 -0.10 0.00 1.11 0.00 0.00 32.58 31.46 3pcg s HIS 61 CO 0.00 0.37 1.34 -0.51 -0.85 0.00 0.00 174.74 175.09 3pcg s LEU 62 N -2.66 4.41 -0.52 0.89 1.43 -1.26 -0.70 118.68 120.28 3pcg s LEU 62 Ca 0.43 2.65 -0.15 0.00 -1.03 0.00 0.00 54.13 56.04 3pcg s LEU 62 Cb -0.12 -3.64 0.12 0.00 0.03 0.00 0.00 46.19 42.58 3pcg s LEU 62 CO 0.23 -0.58 0.46 -0.69 0.23 0.00 0.00 176.35 175.99 3pcg s VAL 63 N -0.71 5.03 -1.69 -1.59 1.01 -0.03 -4.84 120.40 117.58 3pcg s VAL 63 Ca 0.52 -1.49 0.10 0.00 0.00 0.00 0.00 61.98 61.11 3pcg s VAL 63 Cb -0.40 -4.20 0.34 0.00 0.00 0.00 0.00 36.38 32.11 3pcg s VAL 63 CO 0.49 -0.81 1.23 0.54 0.00 0.00 0.00 175.10 176.55 3pcg n ARG 64 N 5.18 2.08 -0.42 2.72 1.74 -1.26 -4.06 116.66 122.64 3pcg n ARG 64 Ca -0.13 -1.35 0.04 0.00 -0.77 0.00 0.00 57.85 55.64 3pcg n ARG 64 Cb 0.41 -1.42 0.06 0.00 -1.02 0.00 0.00 32.46 30.49 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 0.50 0.99 -4.81 0.55 5.68 -1.26 -3.84 116.55 114.36 3pcg n ASP 65 Ca 0.12 -2.48 -0.33 0.00 -0.50 0.00 0.00 54.79 51.60 3pcg n ASP 65 Cb 0.40 -0.30 -0.03 0.00 -1.14 0.00 0.00 41.12 40.04 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 -1.84 6.38 -0.06 -1.12 1.04 -1.26 -4.57 113.70 112.27 3pcg s SER 66 Ca 0.16 1.79 0.01 0.00 0.48 0.00 0.00 55.95 58.39 3pcg s SER 66 Cb 0.14 -2.54 0.02 0.00 0.10 0.00 0.00 66.02 63.74 3pcg s SER 66 CO -0.00 -0.76 -0.07 0.12 0.98 0.00 0.00 173.24 173.51 3pcg s PHE 67 N -2.24 1.00 0.03 5.02 5.36 0.64 -1.87 117.98 125.91 3pcg s PHE 67 Ca 0.64 -0.34 0.08 0.00 -0.96 0.00 0.00 56.93 56.36 3pcg s PHE 67 Cb -0.14 -0.83 -0.03 0.00 -0.34 0.00 0.00 43.02 41.69 3pcg s PHE 67 CO 0.25 -0.24 -0.24 -0.51 -1.46 0.00 0.00 175.22 173.01 3pcg s LEU 68 N 0.94 2.14 -0.01 6.12 1.02 -0.57 0.03 118.68 128.35 3pcg s LEU 68 Ca -0.10 -0.53 0.05 0.00 0.02 0.00 0.00 54.13 53.57 3pcg s LEU 68 Cb -0.15 -1.18 -0.01 0.00 0.02 0.00 0.00 46.19 44.87 3pcg s LEU 68 CO 0.00 0.24 -0.18 -1.61 0.02 0.00 0.00 176.35 174.82 3pcg s GLU 69 N -1.07 1.44 0.15 1.70 2.02 -0.71 -1.60 118.70 120.63 3pcg s GLU 69 Ca 0.10 -0.64 0.08 0.00 0.02 0.00 0.00 54.97 54.53 3pcg s GLU 69 Cb -0.09 -1.39 -0.04 0.00 0.10 0.00 0.00 34.13 32.70 3pcg s GLU 69 CO 0.01 0.38 -0.19 0.14 0.02 0.00 0.00 175.26 175.63 3pcg s VAL 70 N -0.43 1.79 -0.10 2.63 -7.23 -0.59 -1.59 120.40 114.90 3pcg s VAL 70 Ca 0.07 -1.82 -0.04 0.00 -1.81 0.00 0.00 61.98 58.38 3pcg s VAL 70 Cb -0.07 -1.77 0.05 0.00 0.56 0.00 0.00 36.38 35.15 3pcg s VAL 70 CO -0.01 -0.25 0.19 0.86 -0.31 0.00 0.00 175.10 175.59 3pcg s TRP 71 N -1.82 -0.26 0.08 2.82 -0.11 -0.40 -2.57 118.94 116.69 3pcg s TRP 71 Ca 0.13 0.71 -0.15 0.00 1.22 0.00 0.00 56.10 58.02 3pcg s TRP 71 Cb -0.07 -0.16 0.03 0.00 -1.50 0.00 0.00 33.47 31.77 3pcg s TRP 71 CO 0.06 -0.28 0.34 1.14 -4.62 0.00 0.00 176.95 173.59 3pcg s GLN 72 N 2.13 0.93 0.72 5.86 -2.07 -0.45 -0.63 119.66 126.14 3pcg s GLN 72 Ca 0.00 -0.61 -0.11 0.00 -1.82 0.00 0.00 55.36 52.83 3pcg s GLN 72 Cb -0.12 0.40 0.02 0.00 -1.09 0.00 0.00 33.01 32.23 3pcg s GLN 72 CO -0.07 -0.33 1.07 0.00 -1.32 0.00 0.00 175.29 174.64 3pcg s ALA 73 N -3.16 2.61 0.91 2.60 0.00 -1.26 -4.48 121.76 118.99 3pcg s ALA 73 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.93 3pcg s ALA 73 Cb 0.01 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.98 3pcg s ALA 73 CO -0.07 -1.30 0.00 -0.40 0.00 0.00 0.00 175.76 173.98 3pcg n ASP 74 N -3.17 0.00 0.22 0.00 5.68 0.14 -4.29 116.55 115.13 3pcg n ASP 74 Ca 0.07 -0.62 0.05 0.00 -0.50 0.00 0.00 54.79 53.80 3pcg n ASP 74 Cb 0.54 0.00 0.51 0.00 -1.14 0.00 0.00 41.12 41.03 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 -1.83 1.72 -0.03 2.12 0.00 -1.81 0.58 119.26 120.01 3pcg h ALA 75 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3pcg h ALA 75 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3pcg h ALA 75 CO 0.00 0.21 0.00 0.09 0.00 0.00 0.00 179.25 179.55 3pcg n ASN 76 N -4.34 0.66 -0.25 0.00 3.02 -1.26 -3.56 115.26 109.53 3pcg n ASN 76 Ca -0.02 -1.32 -0.02 0.00 -0.03 0.00 0.00 54.58 53.18 3pcg n ASN 76 Cb 0.23 -0.02 -0.00 0.00 -0.61 0.00 0.00 39.78 39.38 3pcg n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pcg n GLY 77 N 1.03 0.32 3.38 7.41 0.00 -0.77 -4.82 105.19 111.74 3pcg n GLY 77 Ca 0.19 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 45.08 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 -3.82 2.22 -0.30 1.61 2.02 -1.26 -4.65 118.70 114.51 3pcg s GLU 78 Ca 0.00 -0.87 -0.19 0.00 0.02 0.00 0.00 54.97 53.93 3pcg s GLU 78 Cb 0.00 -2.16 -0.01 0.00 0.10 0.00 0.00 34.13 32.06 3pcg s GLU 78 CO 0.00 0.58 0.58 0.71 0.02 0.00 0.00 175.26 177.14 3pcg s TYR 79 N -0.68 3.22 -0.80 1.61 2.02 -1.26 0.27 117.35 121.72 3pcg s TYR 79 Ca 0.11 0.51 -0.20 0.00 -0.37 0.00 0.00 57.07 57.13 3pcg s TYR 79 Cb -0.10 -2.91 0.11 0.00 -0.40 0.00 0.00 41.96 38.66 3pcg s TYR 79 CO 0.00 -0.44 1.00 -0.65 -1.57 0.00 0.00 175.55 173.89 3pcg s GLN 80 N 2.49 3.38 0.24 -0.62 -1.52 -1.26 -4.87 119.66 117.50 3pcg s GLN 80 Ca 0.23 -1.48 0.17 0.00 -1.95 0.00 0.00 55.36 52.33 3pcg s GLN 80 Cb -0.15 -4.61 0.05 0.00 -0.22 0.00 0.00 33.01 28.08 3pcg s GLN 80 CO 0.11 -1.73 1.29 0.38 -0.25 0.00 0.00 175.29 175.10 3pcg h ASP 81 N 9.03 0.00 -1.08 5.90 2.03 -1.97 -3.22 116.42 127.11 3pcg h ASP 81 Ca -0.04 0.00 -0.59 0.00 -0.73 0.00 0.00 57.03 55.67 3pcg h ASP 81 Cb 1.05 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 39.45 3pcg h ASP 81 CO 1.11 0.42 1.51 0.00 -1.03 0.00 0.00 179.24 181.24 3pcg s ALA 82 N -3.02 2.70 0.15 4.15 0.00 -1.26 -4.95 121.76 119.53 3pcg s ALA 82 Ca 0.02 -2.27 -0.31 0.00 0.00 0.00 0.00 51.96 49.40 3pcg s ALA 82 Cb 0.08 -4.54 -0.10 0.00 0.00 0.00 0.00 23.12 18.56 3pcg s ALA 82 CO 0.76 -3.65 1.71 -0.47 0.00 0.00 0.00 175.76 174.11 3pcg s TYR 83 N 5.12 2.62 -0.28 0.00 5.04 -1.26 -4.98 117.35 123.60 3pcg s TYR 83 Ca 0.47 0.28 -0.17 0.00 -2.44 0.00 0.00 57.07 55.21 3pcg s TYR 83 Cb -0.00 -4.08 0.08 0.00 0.35 0.00 0.00 41.96 38.31 3pcg s TYR 83 CO -0.09 -4.23 0.69 1.21 -1.34 0.00 0.00 175.55 171.79 3pcg s ASN 84 N 1.86 -0.93 0.59 4.32 3.84 -1.26 -5.04 114.94 118.33 3pcg s ASN 84 Ca 0.76 1.51 0.37 0.00 0.21 0.00 0.00 52.86 55.71 3pcg s ASN 84 Cb -0.46 1.40 1.73 0.00 -0.55 0.00 0.00 41.25 43.37 3pcg s ASN 84 CO 0.33 -0.24 2.12 -0.07 -2.79 0.00 0.00 177.10 176.45 3pcg h LEU 85 N 6.80 0.00 0.00 3.21 3.38 -1.97 -2.33 115.31 124.39 3pcg h LEU 85 Ca -0.30 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.47 3pcg h LEU 85 Cb 1.22 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 3pcg h LEU 85 CO 0.15 0.00 -0.95 -0.33 0.09 0.00 0.00 178.44 177.40 3pcg h GLU 86 N 0.00 0.00 -6.63 1.13 5.08 -1.99 -3.46 114.58 108.70 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 0.34 0.00 0.18 0.00 0.50 0.00 0.00 28.75 29.76 3pcg h GLU 86 CO 0.00 0.93 -0.29 0.09 -1.00 0.00 0.00 179.01 178.75 3pcg n ASN 87 N -3.33 -0.74 0.10 1.42 3.02 -0.88 -4.85 115.26 110.00 3pcg n ASN 87 Ca 0.00 0.69 0.12 0.00 -0.03 0.00 0.00 54.58 55.36 3pcg n ASN 87 Cb 0.92 -1.23 0.19 0.00 -0.61 0.00 0.00 39.78 39.05 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 0.04 0.73 -3.22 5.41 0.00 -1.89 -3.45 119.26 116.88 3pcg h ALA 88 Ca -0.46 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.23 3pcg h ALA 88 Cb 1.37 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 18.87 3pcg h ALA 88 CO 0.46 0.00 -0.55 0.12 0.00 0.00 0.00 179.25 179.28 3pcg s PHE 89 N -3.19 -0.21 -0.07 0.00 5.36 -1.26 0.10 117.98 118.72 3pcg s PHE 89 Ca 0.06 0.54 0.03 0.00 -0.96 0.00 0.00 56.93 56.60 3pcg s PHE 89 Cb 0.11 -0.01 0.01 0.00 -0.34 0.00 0.00 43.02 42.79 3pcg s PHE 89 CO 0.70 -0.16 -0.15 -0.80 -1.46 0.00 0.00 175.22 173.35 3pcg s ASN 90 N 0.85 2.01 0.40 6.13 0.01 0.12 -4.95 114.94 119.51 3pcg s ASN 90 Ca -0.06 -0.34 0.28 0.00 -0.71 0.00 0.00 52.86 52.03 3pcg s ASN 90 Cb -0.08 -0.87 1.04 0.00 0.41 0.00 0.00 41.25 41.76 3pcg s ASN 90 CO -0.05 0.07 1.82 0.28 -1.51 0.00 0.00 177.10 177.72 3pcg h SER 91 N 6.81 0.00 -3.87 -1.22 0.02 -1.78 -3.44 113.55 110.08 3pcg h SER 91 Ca -0.29 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 59.97 3pcg h SER 91 Cb 1.19 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.52 3pcg h SER 91 CO 0.47 0.00 -0.74 0.12 -1.14 0.00 0.00 176.83 175.55 3pcg s PHE 92 N -3.42 2.80 0.29 3.45 5.36 -1.26 -1.34 117.98 123.85 3pcg s PHE 92 Ca 0.04 -0.08 -0.12 0.00 -0.96 0.00 0.00 56.93 55.81 3pcg s PHE 92 Cb 0.09 -1.66 0.01 0.00 -0.34 0.00 0.00 43.02 41.12 3pcg s PHE 92 CO 0.52 0.26 0.54 0.20 -1.46 0.00 0.00 175.22 175.27 3pcg s GLY 93 N -0.82 0.63 0.00 13.12 0.00 -1.06 -4.84 107.32 114.35 3pcg s GLY 93 Ca 0.12 -0.92 -0.03 0.00 0.00 0.00 0.00 44.72 43.89 3pcg s GLY 93 CO 0.01 -0.60 0.06 0.50 0.00 0.00 0.00 173.10 173.07 3pcg s ARG 94 N -3.61 0.32 0.26 2.90 0.52 -0.44 -1.54 118.95 117.36 3pcg s ARG 94 Ca 0.22 -0.35 -0.13 0.00 -0.52 0.00 0.00 55.73 54.95 3pcg s ARG 94 Cb -0.02 0.13 -0.00 0.00 0.52 0.00 0.00 34.95 35.58 3pcg s ARG 94 CO 0.11 -0.06 0.51 -0.08 0.02 0.00 0.00 175.30 175.80 3pcg s THR 95 N -1.06 0.00 0.18 0.02 -1.32 -0.63 -1.50 115.64 111.32 3pcg s THR 95 Ca -0.12 -1.37 -0.14 0.00 -1.21 0.00 0.00 61.69 58.85 3pcg s THR 95 Cb -0.07 -2.23 0.01 0.00 -1.51 0.00 0.00 72.50 68.70 3pcg s THR 95 CO 0.00 0.00 0.42 0.00 -2.21 0.00 0.00 174.62 172.83 3pcg s ALA 96 N -3.90 -0.56 -0.06 11.08 0.00 -1.26 -1.51 121.76 125.55 3pcg s ALA 96 Ca 0.22 -0.48 -0.16 0.00 0.00 0.00 0.00 51.96 51.54 3pcg s ALA 96 Cb -0.01 0.84 -0.05 0.00 0.00 0.00 0.00 23.12 23.89 3pcg s ALA 96 CO 0.10 -0.73 0.42 0.95 0.00 0.00 0.00 175.76 176.50 3pcg s THR 97 N -3.91 5.11 0.36 0.00 -4.23 -0.78 -4.21 115.64 107.99 3pcg s THR 97 Ca 0.12 0.85 -0.28 0.00 -1.18 0.00 0.00 61.69 61.20 3pcg s THR 97 Cb 0.01 -3.74 -0.12 0.00 1.34 0.00 0.00 72.50 69.99 3pcg s THR 97 CO -0.02 0.47 1.40 0.35 -0.54 0.00 0.00 174.62 176.27 3pcg n THR 98 N 2.67 2.02 0.24 3.99 -2.24 -1.19 -4.42 114.28 115.36 3pcg n THR 98 Ca -0.11 -0.50 0.13 0.00 -2.27 0.00 0.00 64.05 61.29 3pcg n THR 98 Cb 0.52 -1.79 0.53 0.00 -2.10 0.00 0.00 70.33 67.49 3pcg n THR 98 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3pcg h PHE 99 N 2.75 0.00 0.00 4.78 0.04 -1.96 -1.66 116.94 120.90 3pcg h PHE 99 Ca -0.49 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.28 3pcg h PHE 99 Cb 1.26 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.41 3pcg h PHE 99 CO 0.52 0.14 0.00 -0.40 -0.60 0.00 0.00 178.31 177.97 3pcg n ASP 100 N -3.28 0.00 -0.27 2.17 5.75 -1.26 -4.70 116.55 114.96 3pcg n ASP 100 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 54.79 54.81 3pcg n ASP 100 Cb 0.39 0.00 0.16 0.00 -1.03 0.00 0.00 41.12 40.64 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 1.08 -0.98 2.12 0.00 -1.98 -3.47 119.26 114.03 3pcg h ALA 101 Ca 0.00 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3pcg h ALA 101 Cb 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.75 3pcg h ALA 101 CO 0.00 -0.03 -0.07 0.41 0.00 0.00 0.00 179.25 179.56 3pcg n GLY 102 N -1.31 0.54 3.36 0.00 0.00 -0.62 -4.92 105.19 102.24 3pcg n GLY 102 Ca 0.13 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 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 -4.66 1.82 0.22 1.61 2.12 -1.26 -4.38 118.70 114.17 3pcg s GLU 103 Ca 0.04 -1.10 0.07 0.00 0.36 0.00 0.00 54.97 54.33 3pcg s GLU 103 Cb -0.02 -2.01 -0.04 0.00 0.26 0.00 0.00 34.13 32.33 3pcg s GLU 103 CO 0.04 0.51 0.12 1.67 -0.54 0.00 0.00 175.26 177.07 3pcg s TRP 104 N -0.83 3.02 0.02 5.30 1.48 -0.51 -3.14 118.94 124.28 3pcg s TRP 104 Ca 0.12 -0.10 -0.02 0.00 -1.06 0.00 0.00 56.10 55.04 3pcg s TRP 104 Cb -0.10 -1.40 -0.01 0.00 -1.16 0.00 0.00 33.47 30.80 3pcg s TRP 104 CO 0.03 0.53 0.01 0.95 -4.06 0.00 0.00 176.95 174.41 3pcg s THR 105 N -2.00 0.10 -0.02 0.66 -4.23 -1.26 -2.53 115.64 106.36 3pcg s THR 105 Ca 0.31 -0.85 -0.05 0.00 -1.18 0.00 0.00 61.69 59.92 3pcg s THR 105 Cb -0.08 -0.30 0.00 0.00 1.34 0.00 0.00 72.50 73.46 3pcg s THR 105 CO 0.23 -0.47 0.12 -0.22 -0.54 0.00 0.00 174.62 173.74 3pcg s LEU 106 N -1.43 1.60 -0.28 4.79 2.96 -0.20 -4.83 118.68 121.29 3pcg s LEU 106 Ca -0.16 -0.03 0.01 0.00 -0.22 0.00 0.00 54.13 53.73 3pcg s LEU 106 Cb -0.09 0.52 0.06 0.00 0.50 0.00 0.00 46.19 47.17 3pcg s LEU 106 CO -0.00 -0.22 -0.06 -1.00 -1.32 0.00 0.00 176.35 173.75 3pcg s HIS 107 N -0.77 3.29 0.00 5.38 3.76 0.02 -1.78 115.29 125.20 3pcg s HIS 107 Ca -0.09 -2.18 0.00 0.00 -0.15 0.00 0.00 55.06 52.65 3pcg s HIS 107 Cb -0.05 -2.05 0.00 0.00 1.11 0.00 0.00 32.58 31.59 3pcg s HIS 107 CO 0.01 -0.85 0.00 -2.37 -0.85 0.00 0.00 174.74 170.67 3pcg n THR 108 N 4.50 0.00 -4.10 1.30 5.66 -0.96 -0.40 114.28 120.29 3pcg n THR 108 Ca -0.13 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.73 3pcg n THR 108 Cb 0.42 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.09 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 -0.41 0.68 -0.03 1.08 -7.23 -1.26 -0.67 120.40 112.55 3pcg s VAL 109 Ca 0.00 -1.24 -0.30 0.00 -1.81 0.00 0.00 61.98 58.63 3pcg s VAL 109 Cb 0.00 -0.85 -0.07 0.00 0.56 0.00 0.00 36.38 36.02 3pcg s VAL 109 CO 0.00 -0.42 1.91 -0.75 -0.31 0.00 0.00 175.10 175.53 3pcg s LYS 110 N -1.92 3.99 0.52 4.82 2.20 -0.27 -4.89 119.74 124.19 3pcg s LYS 110 Ca -0.05 2.38 -0.23 0.00 -0.36 0.00 0.00 55.97 57.71 3pcg s LYS 110 Cb -0.08 -4.14 -0.06 0.00 -1.51 0.00 0.00 37.83 32.04 3pcg s LYS 110 CO 0.00 -1.11 1.36 -1.25 -0.36 0.00 0.00 175.35 174.00 3pcg s PRO 111 N 4.64 3.31 0.77 4.03 0.04 -1.26 -4.22 135.00 142.31 3pcg s PRO 111 Ca 0.86 2.26 -0.10 0.00 0.04 0.00 0.00 61.00 64.05 3pcg s PRO 111 Cb -0.38 -2.37 0.07 0.00 0.04 0.00 0.00 34.50 31.86 3pcg s PRO 111 CO 0.37 -1.06 1.12 0.20 0.04 0.00 0.00 177.00 177.68 3pcg s GLY 112 N -0.86 1.62 0.26 0.56 0.00 0.20 -4.73 107.32 104.36 3pcg s GLY 112 Ca 0.68 -0.70 -0.30 0.00 0.00 0.00 0.00 44.72 44.41 3pcg s GLY 112 CO 0.49 -0.25 1.01 0.14 0.00 0.00 0.00 173.10 174.49 3pcg s VAL 113 N -3.46 3.82 0.18 1.40 1.01 -1.26 -4.36 120.40 117.73 3pcg s VAL 113 Ca 0.61 1.83 0.08 0.00 0.00 0.00 0.00 61.98 64.50 3pcg s VAL 113 Cb -0.11 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 3pcg s VAL 113 CO 0.48 0.44 -0.16 0.68 0.00 0.00 0.00 175.10 176.53 3pcg s VAL 114 N -1.18 1.77 0.26 2.92 -7.23 -1.26 -4.50 120.40 111.19 3pcg s VAL 114 Ca 0.43 -2.05 0.04 0.00 -1.81 0.00 0.00 61.98 58.59 3pcg s VAL 114 Cb -0.28 -1.92 -0.03 0.00 0.56 0.00 0.00 36.38 34.70 3pcg s VAL 114 CO 0.36 -0.45 0.39 0.20 -0.31 0.00 0.00 175.10 175.29 3pcg s ASN 115 N -2.97 6.30 1.00 4.85 0.01 -1.26 -0.18 114.94 122.69 3pcg s ASN 115 Ca 0.19 0.12 -0.02 0.00 -0.71 0.00 0.00 52.86 52.44 3pcg s ASN 115 Cb -0.03 -1.86 0.03 0.00 0.41 0.00 0.00 41.25 39.79 3pcg s ASN 115 CO 0.07 -0.12 0.16 -0.46 -1.51 0.00 0.00 177.10 175.24 3pcg n ASN 116 N -1.48 -0.05 -0.11 -1.22 6.94 0.16 -4.84 115.26 114.66 3pcg n ASN 116 Ca -0.08 -1.04 -0.03 0.00 -0.02 0.00 0.00 54.58 53.41 3pcg n ASN 116 Cb 0.57 -0.13 0.18 0.00 -2.36 0.00 0.00 39.78 38.04 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 -1.98 1.17 0.00 -2.53 0.00 -2.00 -1.84 119.26 112.08 3pcg h ALA 117 Ca -0.05 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3pcg h ALA 117 Cb 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3pcg h ALA 117 CO 0.04 0.55 0.00 0.00 0.00 0.00 0.00 179.25 179.84 3pcg n ALA 118 N -2.47 2.51 -0.77 0.00 0.00 -1.26 -4.86 120.51 113.66 3pcg n ALA 118 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3pcg n ALA 118 Cb 0.26 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 0.77 0.64 3.62 0.00 0.00 -0.69 -5.03 105.19 104.49 3pcg n GLY 119 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.12 5.06 0.45 1.61 1.01 -1.26 -4.73 120.40 120.43 3pcg s VAL 120 Ca 0.00 0.88 -0.25 0.00 0.00 0.00 0.00 61.98 62.60 3pcg s VAL 120 Cb 0.00 -3.84 -0.08 0.00 0.00 0.00 0.00 36.38 32.46 3pcg s VAL 120 CO 0.00 0.07 1.40 -2.16 0.00 0.00 0.00 175.10 174.41 3pcg s PRO 121 N 2.32 3.69 0.10 2.72 0.04 -1.26 0.40 135.00 143.01 3pcg s PRO 121 Ca 0.21 2.36 0.02 0.00 0.04 0.00 0.00 61.00 63.63 3pcg s PRO 121 Cb -0.16 -2.64 -0.04 0.00 0.04 0.00 0.00 34.50 31.70 3pcg s PRO 121 CO 0.09 -0.79 0.16 -1.64 0.04 0.00 0.00 177.00 174.86 3pcg s MET 122 N -2.45 3.13 0.59 4.56 -1.94 0.75 -4.43 119.30 119.50 3pcg s MET 122 Ca 0.61 -0.63 -0.17 0.00 -1.71 0.00 0.00 55.69 53.79 3pcg s MET 122 Cb -0.42 -2.84 -0.04 0.00 2.01 0.00 0.00 34.83 33.54 3pcg s MET 122 CO 0.54 0.56 1.11 0.00 -0.01 0.00 0.00 175.02 177.22 3pcg s ALA 123 N -1.53 2.63 0.04 3.03 0.00 -1.26 -4.00 121.76 120.66 3pcg s ALA 123 Ca 0.32 0.67 -0.37 0.00 0.00 0.00 0.00 51.96 52.57 3pcg s ALA 123 Cb -0.12 -3.33 -0.17 0.00 0.00 0.00 0.00 23.12 19.51 3pcg s ALA 123 CO 0.25 -0.93 1.36 -2.30 0.00 0.00 0.00 175.76 174.14 3pcg n PRO 124 N -1.77 1.07 -3.68 0.00 -0.02 -1.26 -4.88 135.00 124.47 3pcg n PRO 124 Ca 0.11 0.39 -0.10 0.00 -2.02 0.00 0.00 63.50 61.87 3pcg n PRO 124 Cb 0.52 -2.03 -0.05 0.00 -0.02 0.00 0.00 33.50 31.92 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 0.77 -0.14 -0.14 6.00 -3.43 -1.26 -4.32 115.29 112.78 3pcg s HIS 125 Ca 0.86 -0.19 0.03 0.00 -0.80 0.00 0.00 55.06 54.96 3pcg s HIS 125 Cb -0.99 0.19 0.01 0.00 -1.43 0.00 0.00 32.58 30.37 3pcg s HIS 125 CO 0.49 -0.66 -0.22 0.42 -2.00 0.00 0.00 174.74 172.77 3pcg s ILE 126 N -3.76 2.09 -0.10 -5.38 1.01 -0.30 -4.61 121.20 110.16 3pcg s ILE 126 Ca 0.03 -0.97 -0.26 0.00 0.00 0.00 0.00 60.65 59.45 3pcg s ILE 126 Cb 0.02 -1.83 -0.02 0.00 0.01 0.00 0.00 42.46 40.64 3pcg s ILE 126 CO -0.11 0.55 0.83 0.20 0.00 0.00 0.00 174.94 176.41 3pcg s ASN 127 N 0.76 7.07 0.01 3.58 0.01 0.20 -0.67 114.94 125.89 3pcg s ASN 127 Ca -0.08 1.30 0.07 0.00 -0.71 0.00 0.00 52.86 53.44 3pcg s ASN 127 Cb -0.16 -2.47 -0.02 0.00 0.41 0.00 0.00 41.25 39.01 3pcg s ASN 127 CO -0.01 -0.29 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.45 3pcg s ILE 128 N 1.50 1.70 -0.09 0.60 1.01 -0.31 -1.27 121.20 124.33 3pcg s ILE 128 Ca 0.41 -1.06 0.02 0.00 0.00 0.00 0.00 60.65 60.03 3pcg s ILE 128 Cb -0.18 -1.44 0.01 0.00 0.01 0.00 0.00 42.46 40.86 3pcg s ILE 128 CO 0.18 0.36 -0.15 -0.44 0.00 0.00 0.00 174.94 174.89 3pcg s SER 129 N -0.83 2.21 -0.08 3.58 0.01 -0.62 -0.90 113.70 117.08 3pcg s SER 129 Ca 0.08 -0.38 0.02 0.00 1.31 0.00 0.00 55.95 56.98 3pcg s SER 129 Cb -0.09 -1.00 -0.02 0.00 0.21 0.00 0.00 66.02 65.12 3pcg s SER 129 CO 0.00 0.03 -0.12 -0.22 0.41 0.00 0.00 173.24 173.35 3pcg s LEU 130 N 0.81 2.86 0.07 2.44 2.96 0.10 -1.73 118.68 126.19 3pcg s LEU 130 Ca -0.11 -0.19 0.06 0.00 -0.22 0.00 0.00 54.13 53.67 3pcg s LEU 130 Cb -0.16 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 44.89 3pcg s LEU 130 CO 0.02 0.29 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.82 3pcg s PHE 131 N -0.40 1.33 0.00 5.38 0.40 0.10 -1.80 117.98 122.99 3pcg s PHE 131 Ca 0.05 -0.42 0.00 0.00 -0.60 0.00 0.00 56.93 55.96 3pcg s PHE 131 Cb -0.12 -0.76 0.00 0.00 0.51 0.00 0.00 43.02 42.65 3pcg s PHE 131 CO 0.02 0.08 0.00 0.00 0.70 0.00 0.00 175.22 176.02 3pcg n ALA 132 N 1.42 0.00 -1.66 5.36 0.00 -1.26 -0.26 120.51 124.11 3pcg n ALA 132 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.82 3pcg n ALA 132 Cb 0.54 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 2.89 0.00 0.00 0.00 177.50 180.39 3pcg n ARG 133 N -0.32 1.74 0.00 0.00 1.85 -1.25 0.38 116.66 119.05 3pcg n ARG 133 Ca 0.00 0.62 0.00 0.00 -1.00 0.00 0.00 57.85 57.47 3pcg n ARG 133 Cb 0.00 -2.21 0.00 0.00 -1.05 0.00 0.00 32.46 29.20 3pcg n ARG 133 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3pcg n GLY 134 N 0.96 1.87 3.25 2.89 0.00 -1.26 -4.96 105.19 107.93 3pcg n GLY 134 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.37 3.79 0.27 -0.61 1.01 0.16 -4.96 121.20 118.49 3pcg s ILE 135 Ca 0.00 -1.31 0.02 0.00 0.00 0.00 0.00 60.65 59.36 3pcg s ILE 135 Cb 0.00 -3.24 0.05 0.00 0.01 0.00 0.00 42.46 39.29 3pcg s ILE 135 CO 0.00 -0.31 1.70 0.78 0.00 0.00 0.00 174.94 177.11 3pcg h ASN 136 N 8.23 0.50 -3.97 3.58 2.35 -1.92 -3.33 115.58 121.02 3pcg h ASN 136 Ca -0.22 -0.18 -0.26 0.00 -0.55 0.00 0.00 56.30 55.09 3pcg h ASN 136 Cb 1.08 -0.14 -0.27 0.00 0.05 0.00 0.00 38.32 39.04 3pcg h ASN 136 CO 0.65 0.76 -0.73 -0.51 -1.65 0.00 0.00 177.43 175.95 3pcg s ILE 137 N -4.45 0.20 0.71 2.81 2.07 -1.26 -3.14 121.20 118.13 3pcg s ILE 137 Ca -0.07 -0.23 -0.16 0.00 -1.41 0.00 0.00 60.65 58.78 3pcg s ILE 137 Cb 0.13 -0.20 0.03 0.00 0.13 0.00 0.00 42.46 42.55 3pcg s ILE 137 CO 0.80 -0.03 1.26 -1.38 -1.91 0.00 0.00 174.94 173.67 3pcg s HIS 138 N -0.26 1.98 -0.18 3.50 -3.43 -1.26 -5.01 115.29 110.63 3pcg s HIS 138 Ca -0.01 1.56 -0.09 0.00 -0.80 0.00 0.00 55.06 55.72 3pcg s HIS 138 Cb -0.02 -3.60 -0.05 0.00 -1.43 0.00 0.00 32.58 27.48 3pcg s HIS 138 CO -0.00 -2.87 0.12 -0.51 -2.00 0.00 0.00 174.74 169.48 3pcg s LEU 139 N -4.89 4.20 -0.15 5.38 1.43 -0.75 -4.90 118.68 119.00 3pcg s LEU 139 Ca 0.79 0.26 -0.04 0.00 -1.03 0.00 0.00 54.13 54.11 3pcg s LEU 139 Cb -0.34 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 43.78 3pcg s LEU 139 CO 0.44 0.23 0.00 -1.00 0.23 0.00 0.00 176.35 176.25 3pcg s HIS 140 N 0.04 3.13 0.31 0.29 3.76 -1.26 0.01 115.29 121.57 3pcg s HIS 140 Ca 0.09 -0.07 -0.06 0.00 -0.15 0.00 0.00 55.06 54.87 3pcg s HIS 140 Cb -0.11 -1.95 0.00 0.00 1.11 0.00 0.00 32.58 31.63 3pcg s HIS 140 CO -0.00 0.15 0.48 -0.08 -0.85 0.00 0.00 174.74 174.43 3pcg s THR 141 N 0.06 0.00 0.03 1.30 -1.32 -0.08 -0.03 115.64 115.60 3pcg s THR 141 Ca 0.02 -1.52 0.03 0.00 -1.21 0.00 0.00 61.69 59.01 3pcg s THR 141 Cb -0.13 -2.53 -0.02 0.00 -1.51 0.00 0.00 72.50 68.31 3pcg s THR 141 CO 0.02 0.00 -0.09 -0.13 -2.21 0.00 0.00 174.62 172.21 3pcg s ARG 142 N -3.32 0.64 -0.17 7.08 0.52 -1.26 -1.16 118.95 121.27 3pcg s ARG 142 Ca 0.27 -0.62 -0.04 0.00 -0.52 0.00 0.00 55.73 54.83 3pcg s ARG 142 Cb -0.00 -0.55 -0.02 0.00 0.52 0.00 0.00 34.95 34.89 3pcg s ARG 142 CO 0.16 0.13 -0.04 -1.17 0.02 0.00 0.00 175.30 174.40 3pcg s LEU 143 N -1.07 3.15 0.29 2.53 0.20 0.15 -4.77 118.68 119.16 3pcg s LEU 143 Ca -0.03 -0.20 0.09 0.00 0.69 0.00 0.00 54.13 54.68 3pcg s LEU 143 Cb -0.07 -1.77 -0.04 0.00 -0.43 0.00 0.00 46.19 43.88 3pcg s LEU 143 CO 0.01 0.12 0.06 -0.31 -0.29 0.00 0.00 176.35 175.93 3pcg s TYR 144 N 0.67 2.73 -0.12 5.38 1.51 -0.35 -1.15 117.35 126.01 3pcg s TYR 144 Ca -0.02 -0.27 -0.02 0.00 -1.01 0.00 0.00 57.07 55.74 3pcg s TYR 144 Cb -0.14 -1.37 -0.03 0.00 -0.11 0.00 0.00 41.96 40.31 3pcg s TYR 144 CO 0.02 0.51 -0.04 -0.06 -1.11 0.00 0.00 175.55 174.87 3pcg s PHE 145 N -2.35 3.01 0.47 2.71 0.40 -1.26 -0.19 117.98 120.78 3pcg s PHE 145 Ca 0.34 -0.15 0.20 0.00 -0.60 0.00 0.00 56.93 56.72 3pcg s PHE 145 Cb -0.05 -1.86 1.29 0.00 0.51 0.00 0.00 43.02 42.90 3pcg s PHE 145 CO 0.21 0.13 2.08 0.38 0.70 0.00 0.00 175.22 178.72 3pcg h ASP 146 N 6.10 0.00 -0.32 1.36 2.03 -1.70 -2.24 116.42 121.65 3pcg h ASP 146 Ca -0.38 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 55.87 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 0.59 0.11 0.06 -0.90 -1.03 0.00 0.00 179.24 178.07 3pcg n ASP 147 N -4.10 3.33 -0.99 4.15 5.68 -1.26 -3.79 116.55 119.57 3pcg n ASP 147 Ca -0.02 -2.52 0.05 0.00 -0.50 0.00 0.00 54.79 51.80 3pcg n ASP 147 Cb 0.20 -0.61 0.13 0.00 -1.14 0.00 0.00 41.12 39.70 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 0.19 0.99 -0.30 0.11 -0.58 -0.84 -4.89 120.64 115.31 3pcg n GLU 148 Ca 0.17 -2.80 0.14 0.00 -0.42 0.00 0.00 57.16 54.24 3pcg n GLU 148 Cb 0.78 -0.99 0.31 0.00 -0.57 0.00 0.00 31.44 30.98 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 1.02 1.38 0.34 0.62 0.00 -1.75 0.39 119.26 121.27 3pcg h ALA 149 Ca -0.09 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3pcg h ALA 149 Cb 1.36 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 3pcg h ALA 149 CO 0.05 -0.46 -0.29 1.96 0.00 0.00 0.00 179.25 180.52 3pcg h GLN 150 N 0.26 -0.61 -0.24 0.00 4.20 -1.94 0.14 115.11 116.91 3pcg h GLN 150 Ca 0.57 0.04 -0.00 0.00 0.06 0.00 0.00 58.65 59.32 3pcg h GLN 150 Cb 1.17 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 29.07 3pcg h GLN 150 CO -0.62 -0.41 0.14 0.00 -0.67 0.00 0.00 178.83 177.27 3pcg h ALA 151 N -0.07 0.31 -0.90 3.87 0.00 -1.74 -2.32 119.26 118.40 3pcg h ALA 151 Ca -0.02 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 54.98 3pcg h ALA 151 Cb 0.56 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 3pcg h ALA 151 CO -0.03 -0.18 0.58 -0.91 0.00 0.00 0.00 179.25 178.71 3pcg h ASN 152 N 0.29 0.68 0.11 0.00 2.35 -0.02 0.89 115.58 119.89 3pcg h ASN 152 Ca 0.09 0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.85 3pcg h ASN 152 Cb 0.03 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 3pcg h ASN 152 CO -0.02 0.34 -0.13 0.00 -1.65 0.00 0.00 177.43 175.97 3pcg h ALA 153 N 1.59 1.71 -0.02 -0.83 0.00 -0.16 -2.86 119.26 118.70 3pcg h ALA 153 Ca 0.46 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3pcg h ALA 153 Cb 0.71 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3pcg h ALA 153 CO -0.22 0.21 -0.19 1.63 0.00 0.00 0.00 179.25 180.68 3pcg n LYS 154 N -4.35 1.83 -1.68 0.00 5.02 0.19 -4.94 118.16 114.23 3pcg n LYS 154 Ca -0.02 -1.52 -0.44 0.00 -2.02 0.00 0.00 58.31 54.32 3pcg n LYS 154 Cb 0.22 -1.45 -0.03 0.00 -0.02 0.00 0.00 35.03 33.74 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 8.51 0.05 0.02 0.00 0.13 -1.91 -0.36 132.00 138.45 3pcg h PRO 156 Ca -0.47 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3pcg h PRO 156 Cb 1.24 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3pcg h PRO 156 CO 0.94 0.29 -0.01 0.28 -0.23 0.00 0.00 178.00 179.27 3pcg h VAL 157 N 0.05 1.12 -0.67 1.56 2.07 -1.94 -3.24 116.25 115.20 3pcg h VAL 157 Ca 0.01 -1.75 0.07 0.00 0.82 0.00 0.00 66.70 65.85 3pcg h VAL 157 Cb 0.45 2.08 -0.04 0.00 -1.52 0.00 0.00 31.29 32.26 3pcg h VAL 157 CO 0.03 0.37 0.44 0.25 0.02 0.00 0.00 177.57 178.68 3pcg h LEU 158 N -0.97 0.57 0.00 2.57 5.85 -1.89 1.00 115.31 122.43 3pcg h LEU 158 Ca -0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3pcg h LEU 158 Cb 0.62 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.54 3pcg h LEU 158 CO 0.01 0.36 0.00 0.59 -0.34 0.00 0.00 178.44 179.06 3pcg n ASN 159 N -4.48 0.00 0.15 1.25 3.02 -0.15 -1.90 115.26 113.15 3pcg n ASN 159 Ca 0.10 0.36 0.07 0.00 -0.03 0.00 0.00 54.58 55.08 3pcg n ASN 159 Cb 0.26 -0.43 0.06 0.00 -0.61 0.00 0.00 39.78 39.07 3pcg n ASN 159 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3pcg h LEU 160 N 0.00 0.00 -9.05 3.41 3.38 -0.82 -3.44 115.31 108.80 3pcg h LEU 160 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 3pcg h LEU 160 Cb 0.20 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 3pcg h LEU 160 CO 0.00 0.24 0.94 -0.63 0.09 0.00 0.00 178.44 179.09 3pcg s ILE 161 N -3.12 4.19 0.10 1.22 1.01 -0.80 -4.93 121.20 118.88 3pcg s ILE 161 Ca 0.03 1.39 -0.33 0.00 0.00 0.00 0.00 60.65 61.75 3pcg s ILE 161 Cb 0.07 -4.07 -0.14 0.00 0.01 0.00 0.00 42.46 38.33 3pcg s ILE 161 CO 0.73 -0.31 1.52 -0.33 0.00 0.00 0.00 174.94 176.55 3pcg h GLU 162 N 8.84 -0.67 -6.33 2.79 5.08 -1.88 -3.40 114.58 119.00 3pcg h GLU 162 Ca -0.26 0.05 -0.58 0.00 -1.00 0.00 0.00 59.36 57.57 3pcg h GLU 162 Cb 1.10 0.15 -0.07 0.00 0.50 0.00 0.00 28.75 30.43 3pcg h GLU 162 CO 1.00 -0.45 0.80 -0.65 -1.00 0.00 0.00 179.01 178.72 3pcg s GLN 163 N -5.59 3.95 0.40 2.33 -1.52 -1.26 -4.95 119.66 113.02 3pcg s GLN 163 Ca -0.15 0.85 0.18 0.00 -1.95 0.00 0.00 55.36 54.29 3pcg s GLN 163 Cb 0.06 -3.79 1.10 0.00 -0.22 0.00 0.00 33.01 30.16 3pcg s GLN 163 CO 0.57 -1.01 1.79 -1.35 -0.25 0.00 0.00 175.29 175.04 3pcg h PRO 164 N 8.40 0.39 -0.29 2.91 0.11 -1.98 -0.61 132.00 140.92 3pcg h PRO 164 Ca -0.22 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.83 3pcg h PRO 164 Cb 1.06 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 3pcg h PRO 164 CO 1.04 0.26 -0.02 1.96 -0.21 0.00 0.00 178.00 181.03 3pcg h GLN 165 N 0.40 0.44 0.00 1.05 7.50 -1.95 -2.69 115.11 119.86 3pcg h GLN 165 Ca 0.57 -0.09 -0.05 0.00 0.50 0.00 0.00 58.65 59.57 3pcg h GLN 165 Cb 1.44 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 28.89 3pcg h GLN 165 CO -0.26 0.49 -0.26 0.00 -1.50 0.00 0.00 178.83 177.29 3pcg h ARG 166 N 0.43 0.00 -0.22 1.46 3.08 -1.51 -3.04 114.38 114.59 3pcg h ARG 166 Ca 0.09 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.07 3pcg h ARG 166 Cb 0.31 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 3pcg h ARG 166 CO 0.01 0.26 -0.20 0.00 -1.07 0.00 0.00 179.97 178.97 3pcg h ARG 167 N 0.00 0.38 0.00 0.04 3.08 -1.48 -2.36 114.38 114.04 3pcg h ARG 167 Ca -0.00 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 3pcg h ARG 167 Cb 0.93 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.94 3pcg h ARG 167 CO 0.03 0.57 -0.06 0.93 -1.07 0.00 0.00 179.97 180.37 3pcg h GLU 168 N 0.35 0.00 0.00 0.04 5.08 -1.60 -1.91 114.58 116.54 3pcg h GLU 168 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3pcg h GLU 168 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3pcg h GLU 168 CO 0.04 0.06 0.00 1.79 -1.00 0.00 0.00 179.01 179.90 3pcg h THR 169 N 0.00 0.00 -0.02 1.13 1.35 -1.56 -2.52 112.91 111.29 3pcg h THR 169 Ca -0.00 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 3pcg h THR 169 Cb 0.18 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 3pcg h THR 169 CO 0.01 0.00 -0.05 0.18 -0.25 0.00 0.00 175.52 175.41 3pcg n LEU 170 N -2.64 2.37 -4.55 3.87 4.77 -0.72 -4.80 117.00 115.30 3pcg n LEU 170 Ca -0.00 -0.79 -0.41 0.00 -0.03 0.00 0.00 56.01 54.78 3pcg n LEU 170 Cb 0.18 -0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.17 3pcg n LEU 170 CO 0.20 0.40 0.06 -0.63 -1.33 0.00 0.00 177.39 176.09 3pcg s ILE 171 N -2.06 5.15 0.13 -0.08 1.01 -0.95 -1.21 121.20 123.19 3pcg s ILE 171 Ca 0.30 0.12 -0.30 0.00 0.00 0.00 0.00 60.65 60.77 3pcg s ILE 171 Cb 0.20 -3.83 -0.06 0.00 0.01 0.00 0.00 42.46 38.77 3pcg s ILE 171 CO 0.34 -0.09 1.03 0.00 0.00 0.00 0.00 174.94 176.23 3pcg s ALA 172 N 2.07 3.30 -0.37 9.38 0.00 0.73 -4.86 121.76 132.02 3pcg s ALA 172 Ca 0.13 0.69 -0.26 0.00 0.00 0.00 0.00 51.96 52.52 3pcg s ALA 172 Cb -0.16 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.65 3pcg s ALA 172 CO 0.12 -0.13 0.94 0.15 0.00 0.00 0.00 175.76 176.84 3pcg s LYS 173 N -0.06 3.86 0.42 0.00 1.02 -0.88 -1.83 119.74 122.26 3pcg s LYS 173 Ca 0.49 0.62 -0.25 0.00 0.02 0.00 0.00 55.97 56.84 3pcg s LYS 173 Cb -0.26 -3.80 -0.08 0.00 -0.52 0.00 0.00 37.83 33.17 3pcg s LYS 173 CO 0.32 -0.95 1.30 0.50 -0.92 0.00 0.00 175.35 175.60 3pcg s ARG 174 N 3.50 3.89 0.00 1.68 3.52 -1.26 -1.36 118.95 128.91 3pcg s ARG 174 Ca 0.39 2.13 0.00 0.00 -0.13 0.00 0.00 55.73 58.12 3pcg s ARG 174 Cb -0.12 -2.69 0.00 0.00 -1.56 0.00 0.00 34.95 30.58 3pcg s ARG 174 CO 0.19 -0.55 0.00 0.00 -0.81 0.00 0.00 175.30 174.12 3pcg s GLU 176 N -1.99 0.29 -0.23 0.00 2.56 -1.26 -1.59 118.70 116.48 3pcg s GLU 176 Ca 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 54.97 54.78 3pcg s GLU 176 Cb 0.00 -0.26 0.07 0.00 2.00 0.00 0.00 34.13 35.95 3pcg s GLU 176 CO 0.00 0.07 0.06 0.08 -0.56 0.00 0.00 175.26 174.91 3pcg s VAL 177 N -0.19 0.57 -0.94 3.70 1.01 0.81 -4.73 120.40 120.62 3pcg s VAL 177 Ca 0.00 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.15 3pcg s VAL 177 Cb -0.02 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.17 3pcg s VAL 177 CO -0.00 -0.37 0.81 0.47 0.00 0.00 0.00 175.10 176.01 3pcg n ASP 178 N 5.01 -3.87 -2.24 3.32 8.00 -1.26 -1.42 116.55 124.09 3pcg n ASP 178 Ca -0.07 -0.42 -0.18 0.00 0.71 0.00 0.00 54.79 54.83 3pcg n ASP 178 Cb 0.45 -3.85 -0.02 0.00 -0.02 0.00 0.00 41.12 37.68 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 -1.39 -0.07 3.30 0.44 0.00 -1.26 -4.95 105.19 101.26 3pcg n GLY 179 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 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 -4.75 2.23 0.18 1.61 2.47 -0.51 -5.09 119.74 115.88 3pcg s LYS 180 Ca 0.00 -0.92 -0.32 0.00 -1.56 0.00 0.00 55.97 53.18 3pcg s LYS 180 Cb 0.00 -2.08 -0.11 0.00 -1.46 0.00 0.00 37.83 34.18 3pcg s LYS 180 CO 0.00 0.52 1.68 0.99 0.16 0.00 0.00 175.35 178.70 3pcg s THR 181 N -0.51 2.29 0.11 3.43 2.01 -1.26 0.28 115.64 122.00 3pcg s THR 181 Ca 0.07 0.18 -0.01 0.00 0.31 0.00 0.00 61.69 62.24 3pcg s THR 181 Cb -0.11 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 3pcg s THR 181 CO 0.00 0.01 0.04 0.00 -0.69 0.00 0.00 174.62 173.98 3pcg s ALA 182 N 1.33 0.79 -0.10 7.40 0.00 -0.62 -1.17 121.76 129.40 3pcg s ALA 182 Ca 0.74 -1.42 -0.05 0.00 0.00 0.00 0.00 51.96 51.23 3pcg s ALA 182 Cb -0.47 0.74 0.04 0.00 0.00 0.00 0.00 23.12 23.43 3pcg s ALA 182 CO 0.32 -0.46 0.23 0.71 0.00 0.00 0.00 175.76 176.56 3pcg s TYR 183 N -4.02 -0.30 -0.23 0.00 1.51 0.05 -0.63 117.35 113.73 3pcg s TYR 183 Ca 0.21 0.73 -0.10 0.00 -1.01 0.00 0.00 57.07 56.89 3pcg s TYR 183 Cb 0.08 0.04 -0.05 0.00 -0.11 0.00 0.00 41.96 41.91 3pcg s TYR 183 CO -0.01 -0.21 0.14 0.50 -1.11 0.00 0.00 175.55 174.86 3pcg s ARG 184 N 1.12 4.04 -0.32 -0.62 3.52 -0.47 -2.05 118.95 124.17 3pcg s ARG 184 Ca -0.08 -0.29 0.01 0.00 -0.13 0.00 0.00 55.73 55.24 3pcg s ARG 184 Cb -0.09 -3.48 0.10 0.00 -1.56 0.00 0.00 34.95 29.91 3pcg s ARG 184 CO -0.07 0.08 0.07 0.12 -0.81 0.00 0.00 175.30 174.69 3pcg s PHE 185 N 0.98 2.65 -0.01 5.12 5.36 0.14 -2.08 117.98 130.14 3pcg s PHE 185 Ca 0.07 -2.30 -0.16 0.00 -0.96 0.00 0.00 56.93 53.59 3pcg s PHE 185 Cb -0.13 -2.24 -0.06 0.00 -0.34 0.00 0.00 43.02 40.25 3pcg s PHE 185 CO 0.04 -0.90 0.43 -0.51 -1.46 0.00 0.00 175.22 172.81 3pcg s ASP 186 N 1.29 6.81 -0.15 6.13 1.01 -1.26 -3.83 116.67 126.67 3pcg s ASP 186 Ca 0.09 0.97 0.01 0.00 0.71 0.00 0.00 52.55 54.32 3pcg s ASP 186 Cb -0.18 -2.27 -0.00 0.00 1.01 0.00 0.00 42.92 41.48 3pcg s ASP 186 CO -0.17 0.27 -0.16 -0.63 0.21 0.00 0.00 175.17 174.70 3pcg s ILE 187 N -0.81 2.68 -0.29 0.77 1.01 -0.22 -4.96 121.20 119.38 3pcg s ILE 187 Ca 0.24 -0.77 -0.01 0.00 0.00 0.00 0.00 60.65 60.11 3pcg s ILE 187 Cb -0.17 -2.12 0.05 0.00 0.01 0.00 0.00 42.46 40.23 3pcg s ILE 187 CO 0.13 0.52 -0.02 -0.13 0.00 0.00 0.00 174.94 175.45 3pcg s ARG 188 N 0.70 2.46 0.30 2.79 0.52 -1.26 -0.95 118.95 123.50 3pcg s ARG 188 Ca -0.07 -1.24 0.00 0.00 -0.52 0.00 0.00 55.73 53.90 3pcg s ARG 188 Cb -0.16 -3.13 0.46 0.00 0.52 0.00 0.00 34.95 32.64 3pcg s ARG 188 CO 0.02 -0.59 1.86 0.82 0.02 0.00 0.00 175.30 177.43 3pcg h ILE 189 N 6.46 1.21 -3.05 1.52 2.04 -1.44 0.15 117.51 124.40 3pcg h ILE 189 Ca -0.22 -0.73 -0.08 0.00 1.00 0.00 0.00 64.86 64.82 3pcg h ILE 189 Cb 1.06 0.65 -0.17 0.00 -0.74 0.00 0.00 36.82 37.62 3pcg h ILE 189 CO 0.53 0.28 -0.13 -1.58 0.00 0.00 0.00 178.15 177.25 3pcg s GLN 190 N -5.25 0.90 2.38 2.37 0.74 -1.26 -4.75 119.66 114.78 3pcg s GLN 190 Ca -0.09 -0.36 0.00 0.00 0.05 0.00 0.00 55.36 54.95 3pcg s GLN 190 Cb 0.16 0.40 0.00 0.00 1.10 0.00 0.00 33.01 34.67 3pcg s GLN 190 CO 0.79 -0.30 0.00 0.41 -0.55 0.00 0.00 175.29 175.64 3pcg n GLY 191 N 0.56 0.15 3.71 2.59 0.00 -1.26 -4.22 105.19 106.71 3pcg n GLY 191 Ca -0.19 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 3pcg n GLY 191 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pcg s GLU 192 N 0.00 4.14 -1.01 1.61 2.12 -1.26 -1.48 118.70 122.81 3pcg s GLU 192 Ca 0.00 2.58 0.00 0.00 0.36 0.00 0.00 54.97 57.91 3pcg s GLU 192 Cb 0.00 -3.34 0.00 0.00 0.26 0.00 0.00 34.13 31.05 3pcg s GLU 192 CO 0.00 -0.78 0.00 0.41 -0.54 0.00 0.00 175.26 174.35 3pcg n GLY 193 N 4.08 1.11 3.60 -1.50 0.00 -1.26 -4.93 105.19 106.29 3pcg n GLY 193 Ca 0.17 -0.50 -0.53 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.55 1.09 -2.18 1.61 2.13 -0.55 -4.66 120.64 115.53 3pcg n GLU 194 Ca -0.10 0.39 -0.41 0.00 0.66 0.00 0.00 57.16 57.71 3pcg n GLU 194 Cb 0.34 -2.04 -0.02 0.00 0.27 0.00 0.00 31.44 29.98 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 0.87 2.86 0.25 6.31 2.01 0.52 -4.96 115.64 123.51 3pcg s THR 195 Ca 0.87 0.87 -0.30 0.00 0.31 0.00 0.00 61.69 63.44 3pcg s THR 195 Cb -0.99 -3.55 -0.09 0.00 0.01 0.00 0.00 72.50 67.88 3pcg s THR 195 CO 0.50 0.20 1.29 -0.69 -0.69 0.00 0.00 174.62 175.23 3pcg s VAL 196 N -1.11 3.06 0.07 3.82 1.01 -1.26 -4.94 120.40 121.05 3pcg s VAL 196 Ca 0.48 0.95 0.08 0.00 0.00 0.00 0.00 61.98 63.50 3pcg s VAL 196 Cb -0.38 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 3pcg s VAL 196 CO 0.50 0.18 -0.22 -0.36 0.00 0.00 0.00 175.10 175.20 3pcg s PHE 197 N -0.44 1.93 0.29 5.22 0.08 -1.26 -4.69 117.98 119.11 3pcg s PHE 197 Ca 0.53 -0.39 0.09 0.00 0.12 0.00 0.00 56.93 57.28 3pcg s PHE 197 Cb -0.37 -1.11 -0.04 0.00 -0.57 0.00 0.00 43.02 40.92 3pcg s PHE 197 CO 0.43 0.16 0.06 -0.06 -0.10 0.00 0.00 175.22 175.71 3pcg s PHE 198 N -0.93 2.72 -0.00 0.36 0.08 0.95 -5.00 117.98 116.16 3pcg s PHE 198 Ca 0.08 -0.28 0.02 0.00 0.12 0.00 0.00 56.93 56.87 3pcg s PHE 198 Cb -0.09 -1.37 -0.00 0.00 -0.57 0.00 0.00 43.02 40.98 3pcg s PHE 198 CO 0.03 0.51 -0.05 0.34 -0.10 0.00 0.00 175.22 175.95 3pcg s ASP 199 N -3.74 0.61 0.00 1.36 2.15 -1.26 -4.29 116.67 111.49 3pcg s ASP 199 Ca 0.34 -0.10 0.00 0.00 0.43 0.00 0.00 52.55 53.22 3pcg s ASP 199 Cb -0.05 -0.07 0.00 0.00 -0.30 0.00 0.00 42.92 42.50 3pcg s ASP 199 CO 0.21 0.06 0.00 2.22 -0.17 0.00 0.00 175.17 177.49