#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pch s ILE 2 N 0.00 4.06 -0.03 4.25 -1.09 -1.26 -5.04 121.20 122.08 3pch s ILE 2 Ca 0.00 1.68 0.06 0.00 -2.23 0.00 0.00 60.65 60.15 3pch s ILE 2 Cb 0.00 -4.07 -0.01 0.00 -1.58 0.00 0.00 42.46 36.80 3pch s ILE 2 CO 0.00 0.24 -0.20 -1.61 -1.23 0.00 0.00 174.94 172.14 3pch s GLU 3 N 0.05 1.84 0.18 2.79 0.41 -1.26 -5.15 118.70 117.56 3pch s GLU 3 Ca 0.51 -0.72 0.03 0.00 -0.41 0.00 0.00 54.97 54.38 3pch s GLU 3 Cb -0.28 -1.68 0.03 0.00 -1.78 0.00 0.00 34.13 30.42 3pch s GLU 3 CO 0.33 0.37 0.22 1.28 -0.49 0.00 0.00 175.26 176.97 3pch n LEU 4 N 2.82 0.00 -4.77 1.80 4.32 -1.26 -5.05 117.00 114.86 3pch n LEU 4 Ca -0.16 -0.79 -0.40 0.00 -0.02 0.00 0.00 56.01 54.63 3pch n LEU 4 Cb 0.53 -0.11 -0.02 0.00 -1.62 0.00 0.00 43.42 42.20 3pch n LEU 4 CO 0.24 -0.53 0.92 -0.76 -1.22 0.00 0.00 177.39 176.05 3pch s LEU 5 N 0.00 4.38 0.38 2.23 1.43 -1.26 -4.96 118.68 120.87 3pch s LEU 5 Ca 0.17 2.56 -0.25 0.00 -1.03 0.00 0.00 54.13 55.58 3pch s LEU 5 Cb -0.01 -3.74 -0.09 0.00 0.03 0.00 0.00 46.19 42.37 3pch s LEU 5 CO 0.11 -0.54 1.05 -2.16 0.23 0.00 0.00 176.35 175.04 3pch s PRO 6 N -1.89 4.27 0.45 1.29 0.04 -1.26 -5.00 135.00 132.90 3pch s PRO 6 Ca 0.51 1.54 -0.23 0.00 0.04 0.00 0.00 61.00 62.85 3pch s PRO 6 Cb -0.37 -2.66 -0.08 0.00 0.04 0.00 0.00 34.50 31.44 3pch s PRO 6 CO 0.48 -0.05 1.19 -2.00 0.04 0.00 0.00 177.00 176.66 3pch s GLU 7 N -2.31 3.79 0.27 4.56 2.12 -1.26 -4.93 118.70 120.95 3pch s GLU 7 Ca 0.55 1.84 -0.30 0.00 0.36 0.00 0.00 54.97 57.42 3pch s GLU 7 Cb -0.23 -2.47 -0.11 0.00 0.26 0.00 0.00 34.13 31.57 3pch s GLU 7 CO 0.29 -0.54 1.63 0.99 -0.54 0.00 0.00 175.26 177.08 3pch s THR 8 N -1.48 2.06 0.44 -1.70 2.01 -1.26 -4.91 115.64 110.79 3pch s THR 8 Ca 0.62 0.05 -0.23 0.00 0.31 0.00 0.00 61.69 62.44 3pch s THR 8 Cb -0.30 -3.03 -0.08 0.00 0.01 0.00 0.00 72.50 69.10 3pch s THR 8 CO 0.37 0.01 1.14 -2.16 -0.69 0.00 0.00 174.62 173.29 3pch s PRO 9 N -0.09 3.87 0.74 4.92 0.04 -1.26 -5.03 135.00 138.19 3pch s PRO 9 Ca 0.66 1.73 -0.11 0.00 0.04 0.00 0.00 61.00 63.32 3pch s PRO 9 Cb -0.48 -2.47 0.03 0.00 0.04 0.00 0.00 34.50 31.63 3pch s PRO 9 CO 0.44 -0.45 1.08 0.45 0.04 0.00 0.00 177.00 178.56 3pch s SER 10 N -1.37 4.98 -0.01 6.66 0.15 -1.26 -5.09 113.70 117.76 3pch s SER 10 Ca 0.62 1.50 -0.14 0.00 0.70 0.00 0.00 55.95 58.62 3pch s SER 10 Cb -0.28 -2.31 0.02 0.00 -1.71 0.00 0.00 66.02 61.74 3pch s SER 10 CO 0.34 -1.68 0.30 -1.10 1.20 0.00 0.00 173.24 172.29 3pch s GLN 11 N -5.08 0.65 0.64 5.44 -1.52 -1.19 -4.91 119.66 113.70 3pch s GLN 11 Ca 0.59 -0.20 -0.17 0.00 -1.95 0.00 0.00 55.36 53.63 3pch s GLN 11 Cb -0.14 0.29 -0.04 0.00 -0.22 0.00 0.00 33.01 32.89 3pch s GLN 11 CO 0.55 -0.18 0.80 -2.37 -0.25 0.00 0.00 175.29 173.84 3pch n THR 12 N 1.30 3.01 0.16 -0.19 5.66 -1.18 -4.80 114.28 118.25 3pch n THR 12 Ca -0.22 -0.46 0.01 0.00 -3.05 0.00 0.00 64.05 60.33 3pch n THR 12 Cb 0.56 -0.97 0.27 0.00 -1.55 0.00 0.00 70.33 68.63 3pch n THR 12 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3pch h ALA 13 N 0.15 1.11 0.00 1.79 0.00 -1.74 -3.49 119.26 117.08 3pch h ALA 13 Ca -0.47 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 53.99 3pch h ALA 13 Cb 1.37 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3pch h ALA 13 CO 0.48 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.76 3pch n GLY 14 N 0.00 -1.15 0.15 0.00 0.00 -1.26 -4.20 105.19 98.73 3pch n GLY 14 Ca -0.01 -1.62 0.13 0.00 0.00 0.00 0.00 46.02 44.51 3pch n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3pch h PRO 15 N 0.00 0.00 -0.49 1.61 0.13 -1.94 -3.20 132.00 128.12 3pch h PRO 15 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3pch h PRO 15 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3pch h PRO 15 CO 0.00 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.43 3pch n TYR 16 N -2.43 1.78 -0.35 1.56 4.01 -1.26 -4.63 117.16 115.83 3pch n TYR 16 Ca 0.03 -0.77 0.15 0.00 -0.16 0.00 0.00 57.90 57.15 3pch n TYR 16 Cb 0.35 -0.46 0.35 0.00 -0.31 0.00 0.00 39.34 39.27 3pch n TYR 16 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 3pch h VAL 17 N 3.40 0.66 -1.02 -0.72 3.04 -1.72 -1.80 116.25 118.09 3pch h VAL 17 Ca 0.00 -0.24 0.25 0.00 -1.01 0.00 0.00 66.70 65.70 3pch h VAL 17 Cb 1.84 -0.09 -0.10 0.00 -2.01 0.00 0.00 31.29 30.93 3pch h VAL 17 CO 0.42 0.13 0.64 0.45 -1.01 0.00 0.00 177.57 178.20 3pch h HIS 18 N 0.69 0.77 -0.99 3.17 3.86 -1.83 0.26 115.15 121.08 3pch h HIS 18 Ca 0.59 0.03 0.10 0.00 -1.16 0.00 0.00 60.37 59.93 3pch h HIS 18 Cb 1.01 -0.22 -0.08 0.00 1.06 0.00 0.00 27.41 29.18 3pch h HIS 18 CO -0.00 0.09 0.63 -0.84 0.86 0.00 0.00 177.93 178.66 3pch h ILE 19 N 0.48 0.97 0.05 2.45 3.07 -1.54 0.63 117.51 123.61 3pch h ILE 19 Ca 0.59 -0.36 -0.33 0.00 1.55 0.00 0.00 64.86 66.32 3pch h ILE 19 Cb 1.35 -0.16 -0.04 0.00 -0.27 0.00 0.00 36.82 37.71 3pch h ILE 19 CO -0.33 0.19 -1.87 0.61 -1.05 0.00 0.00 178.15 175.70 3pch n GLY 20 N -1.35 -0.82 0.09 0.16 0.00 -0.07 -4.49 105.19 98.71 3pch n GLY 20 Ca 0.17 -0.15 0.01 0.00 0.00 0.00 0.00 46.02 46.06 3pch n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3pch n LEU 21 N -3.20 1.26 -2.82 0.99 4.77 -0.31 -4.80 117.00 112.89 3pch n LEU 21 Ca -0.24 -1.07 -0.11 0.00 -0.03 0.00 0.00 56.01 54.56 3pch n LEU 21 Cb 1.05 -0.00 0.06 0.00 -2.33 0.00 0.00 43.42 42.20 3pch n LEU 21 CO 0.44 0.29 0.20 0.00 -1.33 0.00 0.00 177.39 176.99 3pch n ALA 22 N 0.10 -0.44 -0.15 -1.18 0.00 0.21 -4.95 120.51 114.11 3pch n ALA 22 Ca 0.01 -1.79 -0.07 0.00 0.00 0.00 0.00 53.44 51.60 3pch n ALA 22 Cb 0.07 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 18.35 3pch n ALA 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3pch h LEU 23 N 3.31 -1.17 -0.62 0.00 4.07 -1.59 -0.06 115.31 119.26 3pch h LEU 23 Ca -0.08 0.21 0.12 0.00 0.08 0.00 0.00 57.88 58.21 3pch h LEU 23 Cb 1.05 0.55 -0.09 0.00 1.08 0.00 0.00 40.66 43.25 3pch h LEU 23 CO 0.24 -0.32 0.11 -0.08 -1.08 0.00 0.00 178.44 177.32 3pch h GLU 24 N -0.24 0.23 -0.89 1.13 4.81 -1.87 -1.27 114.58 116.48 3pch h GLU 24 Ca 0.19 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 3pch h GLU 24 Cb 0.55 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.83 3pch h GLU 24 CO -0.59 0.15 0.53 0.00 -0.73 0.00 0.00 179.01 178.37 3pch h ALA 25 N 1.51 1.14 0.00 2.92 0.00 -1.41 0.04 119.26 123.46 3pch h ALA 25 Ca 0.33 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3pch h ALA 25 Cb 0.51 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3pch h ALA 25 CO -0.43 0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.42 3pch h ALA 26 N 1.29 1.00 -1.93 0.00 0.00 0.00 -3.46 119.26 116.16 3pch h ALA 26 Ca 0.32 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 3pch h ALA 26 Cb -0.03 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.78 3pch h ALA 26 CO -0.06 0.00 -0.12 0.41 0.00 0.00 0.00 179.25 179.48 3pch n GLY 27 N -0.49 0.65 3.40 0.00 0.00 0.00 -5.00 105.19 103.75 3pch n GLY 27 Ca 0.00 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.28 3pch n GLY 27 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3pch s ASN 28 N -3.08 3.13 0.48 1.61 0.01 -0.78 -5.04 114.94 111.28 3pch s ASN 28 Ca 0.09 -0.92 -0.24 0.00 -0.71 0.00 0.00 52.86 51.08 3pch s ASN 28 Cb -0.04 -0.22 -0.07 0.00 0.41 0.00 0.00 41.25 41.33 3pch s ASN 28 CO 0.13 0.02 1.36 -0.81 -1.51 0.00 0.00 177.10 176.28 3pch n PRO 29 N -0.02 1.95 -2.91 -0.60 -0.04 -1.26 -3.86 135.00 128.27 3pch n PRO 29 Ca -0.10 0.70 -0.19 0.00 -0.04 0.00 0.00 63.50 63.87 3pch n PRO 29 Cb 0.58 -2.54 0.03 0.00 -0.04 0.00 0.00 33.50 31.52 3pch n PRO 29 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3pch s THR 30 N -1.24 2.75 0.45 0.52 -4.23 -1.26 -4.82 115.64 107.82 3pch s THR 30 Ca 0.65 -0.90 0.08 0.00 -1.18 0.00 0.00 61.69 60.34 3pch s THR 30 Cb -0.45 -2.85 0.02 0.00 1.34 0.00 0.00 72.50 70.56 3pch s THR 30 CO 0.55 0.00 0.59 -0.13 -0.54 0.00 0.00 174.62 175.09 3pch s ARG 31 N -4.53 2.72 0.19 3.99 0.52 -1.26 -5.02 118.95 115.56 3pch s ARG 31 Ca 0.57 -1.33 -0.19 0.00 -0.52 0.00 0.00 55.73 54.27 3pch s ARG 31 Cb -0.09 -2.71 0.14 0.00 0.52 0.00 0.00 34.95 32.81 3pch s ARG 31 CO 0.36 -0.36 1.61 -0.44 0.02 0.00 0.00 175.30 176.48 3pch h ASP 32 N 0.59 -0.91 -3.27 0.23 3.32 -2.07 -3.39 116.42 110.92 3pch h ASP 32 Ca -0.38 0.20 -0.67 0.00 0.02 0.00 0.00 57.03 56.19 3pch h ASP 32 Cb 1.28 0.48 -0.32 0.00 0.22 0.00 0.00 39.33 40.99 3pch h ASP 32 CO 0.45 -0.27 -0.84 -1.10 -1.72 0.00 0.00 179.24 175.76 3pch s GLN 33 N -6.09 3.13 0.02 3.56 -0.21 -1.26 -5.12 119.66 113.70 3pch s GLN 33 Ca -0.14 -0.81 0.05 0.00 0.02 0.00 0.00 55.36 54.48 3pch s GLN 33 Cb 0.16 -2.49 -0.02 0.00 1.00 0.00 0.00 33.01 31.67 3pch s GLN 33 CO 0.70 0.07 -0.16 -1.21 -2.12 0.00 0.00 175.29 172.57 3pch s GLU 34 N 0.65 1.14 -0.42 2.91 0.41 -1.26 -5.11 118.70 117.02 3pch s GLU 34 Ca -0.10 -0.71 -0.22 0.00 -0.41 0.00 0.00 54.97 53.54 3pch s GLU 34 Cb -0.16 -1.16 0.02 0.00 -1.78 0.00 0.00 34.13 31.05 3pch s GLU 34 CO 0.02 0.30 0.69 0.42 -0.49 0.00 0.00 175.26 176.21 3pch s ILE 35 N -0.64 4.78 0.00 -1.63 1.01 -1.26 -5.00 121.20 118.46 3pch s ILE 35 Ca 0.04 0.37 0.00 0.00 0.00 0.00 0.00 60.65 61.07 3pch s ILE 35 Cb -0.07 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.19 3pch s ILE 35 CO 0.01 -0.56 0.00 1.87 0.00 0.00 0.00 174.94 176.26 3pch n TRP 36 N 6.36 0.00 0.95 3.97 -0.00 -1.26 -4.49 117.44 122.96 3pch n TRP 36 Ca -0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.50 57.54 3pch n TRP 36 Cb 0.48 0.00 0.13 0.00 -0.00 0.00 0.00 31.31 31.92 3pch n TRP 36 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 3pch n ASN 37 N 0.00 1.76 -4.04 5.87 6.94 -0.04 -1.21 115.26 124.53 3pch n ASN 37 Ca 0.00 -2.07 -0.34 0.00 -0.02 0.00 0.00 54.58 52.16 3pch n ASN 37 Cb 0.00 -0.26 -0.12 0.00 -2.36 0.00 0.00 39.78 37.04 3pch n ASN 37 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 3pch s ARG 38 N -1.63 2.18 0.23 -3.83 6.06 -1.26 -0.91 118.95 119.79 3pch s ARG 38 Ca 0.19 -2.42 0.07 0.00 -2.50 0.00 0.00 55.73 51.08 3pch s ARG 38 Cb 0.11 -3.52 0.20 0.00 0.06 0.00 0.00 34.95 31.80 3pch s ARG 38 CO 0.12 -1.12 1.52 -0.07 -2.50 0.00 0.00 175.30 173.25 3pch h LEU 39 N 7.02 0.10 -8.43 -0.88 4.07 -1.04 -3.45 115.31 112.70 3pch h LEU 39 Ca -0.05 -0.07 -0.58 0.00 0.08 0.00 0.00 57.88 57.26 3pch h LEU 39 Cb 0.95 -0.03 -0.28 0.00 1.08 0.00 0.00 40.66 42.37 3pch h LEU 39 CO 0.68 0.78 -0.84 0.00 -1.08 0.00 0.00 178.44 177.98 3pch s ALA 40 N -3.45 1.65 0.42 1.53 0.00 -1.18 0.59 121.76 121.31 3pch s ALA 40 Ca -0.02 -0.90 -0.08 0.00 0.00 0.00 0.00 51.96 50.96 3pch s ALA 40 Cb 0.12 -0.39 -0.05 0.00 0.00 0.00 0.00 23.12 22.80 3pch s ALA 40 CO 0.79 0.39 0.76 0.15 0.00 0.00 0.00 175.76 177.85 3pch s LYS 41 N -0.67 3.68 0.32 0.00 1.02 0.89 -4.81 119.74 120.17 3pch s LYS 41 Ca 0.07 0.34 0.10 0.00 0.02 0.00 0.00 55.97 56.50 3pch s LYS 41 Cb -0.08 -2.41 0.95 0.00 -0.52 0.00 0.00 37.83 35.77 3pch s LYS 41 CO -0.00 -0.08 1.68 -1.35 -0.92 0.00 0.00 175.35 174.68 3pch h PRO 42 N 0.92 0.36 -0.85 -1.68 0.11 -2.00 -0.02 132.00 128.84 3pch h PRO 42 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3pch h PRO 42 Cb 1.19 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3pch h PRO 42 CO 0.63 0.24 0.00 -0.40 -0.21 0.00 0.00 178.00 178.26 3pch n ASP 43 N -5.04 2.50 -4.78 -2.05 5.75 -1.26 -4.87 116.55 106.80 3pch n ASP 43 Ca 0.28 -2.29 -0.39 0.00 -0.01 0.00 0.00 54.79 52.38 3pch n ASP 43 Cb 0.85 -0.55 -0.06 0.00 -1.03 0.00 0.00 41.12 40.33 3pch n ASP 43 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3pch s ALA 44 N -1.57 3.50 0.73 2.12 0.00 -0.02 -5.03 121.76 121.48 3pch s ALA 44 Ca 0.17 0.11 -0.14 0.00 0.00 0.00 0.00 51.96 52.10 3pch s ALA 44 Cb 0.13 -2.77 0.04 0.00 0.00 0.00 0.00 23.12 20.52 3pch s ALA 44 CO 0.05 0.25 1.17 -1.25 0.00 0.00 0.00 175.76 175.98 3pch s PRO 45 N -0.61 2.24 0.00 0.00 0.04 -1.26 -4.89 135.00 130.52 3pch s PRO 45 Ca 0.32 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.95 3pch s PRO 45 Cb -0.20 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.48 3pch s PRO 45 CO 0.20 -1.72 0.00 0.41 0.04 0.00 0.00 177.00 175.92 3pch n GLY 46 N 0.01 1.08 3.59 0.56 0.00 -1.26 -4.65 105.19 104.53 3pch n GLY 46 Ca 0.12 -2.13 -0.43 0.00 0.00 0.00 0.00 46.02 43.59 3pch n GLY 46 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pch s GLU 47 N -1.44 3.75 0.09 1.61 2.12 -1.26 -4.96 118.70 118.61 3pch s GLU 47 Ca 0.00 0.41 -0.31 0.00 0.36 0.00 0.00 54.97 55.44 3pch s GLU 47 Cb 0.00 -3.83 -0.07 0.00 0.26 0.00 0.00 34.13 30.49 3pch s GLU 47 CO 0.00 -0.98 1.27 -1.01 -0.54 0.00 0.00 175.26 174.00 3pch s HIS 48 N 3.43 3.37 0.05 5.30 3.76 -1.26 -1.47 115.29 128.47 3pch s HIS 48 Ca 0.36 1.19 -0.01 0.00 -0.15 0.00 0.00 55.06 56.44 3pch s HIS 48 Cb -0.12 -3.51 -0.04 0.00 1.11 0.00 0.00 32.58 30.02 3pch s HIS 48 CO 0.20 -1.67 -0.02 0.96 -0.85 0.00 0.00 174.74 173.37 3pch s ILE 49 N 1.00 0.21 -0.12 0.60 -4.36 0.28 -4.61 121.20 114.21 3pch s ILE 49 Ca 0.60 -1.71 -0.00 0.00 -0.26 0.00 0.00 60.65 59.28 3pch s ILE 49 Cb -0.32 -1.43 -0.02 0.00 1.25 0.00 0.00 42.46 41.94 3pch s ILE 49 CO 0.30 -0.95 -0.11 -0.22 0.24 0.00 0.00 174.94 174.20 3pch s LEU 50 N -2.82 2.85 -0.08 0.37 2.96 -0.45 -1.82 118.68 119.69 3pch s LEU 50 Ca 0.05 -0.24 0.03 0.00 -0.22 0.00 0.00 54.13 53.75 3pch s LEU 50 Cb 0.07 -1.64 -0.02 0.00 0.50 0.00 0.00 46.19 45.10 3pch s LEU 50 CO -0.09 0.21 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.24 3pch s LEU 51 N 0.07 2.66 0.04 -0.68 1.43 0.14 -1.54 118.68 120.80 3pch s LEU 51 Ca -0.04 -0.27 -0.15 0.00 -1.03 0.00 0.00 54.13 52.64 3pch s LEU 51 Cb -0.14 -1.55 0.02 0.00 0.03 0.00 0.00 46.19 44.55 3pch s LEU 51 CO 0.04 0.28 0.33 -1.48 0.23 0.00 0.00 176.35 175.75 3pch s LEU 52 N -0.33 0.76 0.00 1.79 -0.00 -0.82 0.64 118.68 120.72 3pch s LEU 52 Ca 0.03 -0.12 -0.30 0.00 -0.00 0.00 0.00 54.13 53.74 3pch s LEU 52 Cb -0.13 1.44 0.11 0.00 -0.00 0.00 0.00 46.19 47.62 3pch s LEU 52 CO 0.02 -0.61 1.26 -0.83 -0.00 0.00 0.00 176.35 176.19 3pch s GLY 53 N -1.98 -0.37 0.16 -3.48 0.00 -0.96 -0.39 107.32 100.30 3pch s GLY 53 Ca -0.06 0.59 0.08 0.00 0.00 0.00 0.00 44.72 45.34 3pch s GLY 53 CO -0.02 0.51 -0.18 1.20 0.00 0.00 0.00 173.10 174.61 3pch s GLN 54 N -2.46 1.26 -0.12 2.90 -0.21 -1.26 -1.19 119.66 118.59 3pch s GLN 54 Ca 0.15 -1.39 0.02 0.00 0.02 0.00 0.00 55.36 54.16 3pch s GLN 54 Cb 0.04 -1.31 -0.00 0.00 1.00 0.00 0.00 33.01 32.74 3pch s GLN 54 CO -0.03 0.27 -0.20 0.08 -2.12 0.00 0.00 175.29 173.28 3pch s VAL 55 N -2.03 2.39 0.02 1.09 1.01 -1.26 -0.61 120.40 121.01 3pch s VAL 55 Ca 0.15 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.31 3pch s VAL 55 Cb -0.06 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 3pch s VAL 55 CO 0.06 0.55 -0.20 -0.31 0.00 0.00 0.00 175.10 175.20 3pch s TYR 56 N 0.42 2.52 0.77 5.22 1.51 0.13 -0.05 117.35 127.87 3pch s TYR 56 Ca -0.15 -0.29 -0.04 0.00 -1.01 0.00 0.00 57.07 55.59 3pch s TYR 56 Cb -0.17 -1.48 0.16 0.00 -0.11 0.00 0.00 41.96 40.36 3pch s TYR 56 CO 0.06 0.19 1.06 -0.40 -1.11 0.00 0.00 175.55 175.35 3pch n ASP 57 N 1.81 1.03 0.24 2.29 5.68 0.57 -0.99 116.55 127.19 3pch n ASP 57 Ca -0.16 -1.96 0.14 0.00 -0.50 0.00 0.00 54.79 52.31 3pch n ASP 57 Cb 0.52 -0.72 0.81 0.00 -1.14 0.00 0.00 41.12 40.59 3pch n ASP 57 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3pch h GLY 58 N -0.86 0.00 -0.37 6.12 0.00 -1.87 -0.46 103.07 105.62 3pch h GLY 58 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.98 3pch h GLY 58 CO 0.34 0.00 -0.11 0.70 0.00 0.00 0.00 176.54 177.47 3pch n ASN 59 N -4.03 1.49 0.00 0.19 3.02 -1.26 -4.72 115.26 109.95 3pch n ASN 59 Ca -0.01 -1.34 0.00 0.00 -0.03 0.00 0.00 54.58 53.20 3pch n ASN 59 Cb 0.19 0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 3pch n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pch n GLY 60 N 1.25 0.43 3.87 7.41 0.00 -0.18 -5.04 105.19 112.94 3pch n GLY 60 Ca 0.16 -0.78 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 3pch n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3pch s HIS 61 N -2.00 3.63 0.25 1.61 3.76 -1.26 -4.83 115.29 116.46 3pch s HIS 61 Ca 0.00 0.66 -0.30 0.00 -0.15 0.00 0.00 55.06 55.26 3pch s HIS 61 Cb 0.00 -2.04 -0.11 0.00 1.11 0.00 0.00 32.58 31.55 3pch s HIS 61 CO 0.00 0.71 1.53 -0.51 -0.85 0.00 0.00 174.74 175.61 3pch s LEU 62 N -1.08 4.37 -0.55 0.89 1.43 -1.26 -0.31 118.68 122.16 3pch s LEU 62 Ca 0.18 2.78 -0.18 0.00 -1.03 0.00 0.00 54.13 55.87 3pch s LEU 62 Cb -0.13 -3.62 0.09 0.00 0.03 0.00 0.00 46.19 42.55 3pch s LEU 62 CO 0.07 -0.81 0.63 -0.69 0.23 0.00 0.00 176.35 175.79 3pch s VAL 63 N 0.18 4.91 -2.39 -1.59 1.01 0.92 -4.87 120.40 118.58 3pch s VAL 63 Ca 0.63 -0.92 0.26 0.00 0.00 0.00 0.00 61.98 61.95 3pch s VAL 63 Cb -0.45 -4.39 0.55 0.00 0.00 0.00 0.00 36.38 32.09 3pch s VAL 63 CO 0.43 -0.96 1.72 0.54 0.00 0.00 0.00 175.10 176.83 3pch n ARG 64 N 6.07 1.63 -0.10 2.72 1.74 -1.26 -4.01 116.66 123.44 3pch n ARG 64 Ca -0.09 -0.92 0.09 0.00 -0.77 0.00 0.00 57.85 56.15 3pch n ARG 64 Cb 0.43 -1.45 0.14 0.00 -1.02 0.00 0.00 32.46 30.55 3pch n ARG 64 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3pch n ASP 65 N 0.12 2.47 -4.80 0.55 5.68 -1.26 -4.19 116.55 115.12 3pch n ASP 65 Ca 0.18 -2.96 -0.34 0.00 -0.50 0.00 0.00 54.79 51.17 3pch n ASP 65 Cb 0.33 -0.39 -0.05 0.00 -1.14 0.00 0.00 41.12 39.86 3pch n ASP 65 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3pch s SER 66 N -2.57 6.73 -0.07 -1.12 1.04 -1.26 -4.56 113.70 111.90 3pch s SER 66 Ca 0.30 1.85 0.03 0.00 0.48 0.00 0.00 55.95 58.61 3pch s SER 66 Cb 0.25 -2.56 0.01 0.00 0.10 0.00 0.00 66.02 63.82 3pch s SER 66 CO 0.03 -0.50 -0.15 0.12 0.98 0.00 0.00 173.24 173.72 3pch s PHE 67 N -1.96 1.73 -0.01 5.02 5.36 0.13 -2.30 117.98 125.95 3pch s PHE 67 Ca 0.62 -0.65 0.05 0.00 -0.96 0.00 0.00 56.93 55.99 3pch s PHE 67 Cb -0.15 -1.22 -0.01 0.00 -0.34 0.00 0.00 43.02 41.30 3pch s PHE 67 CO 0.19 -0.30 -0.16 -0.51 -1.46 0.00 0.00 175.22 172.98 3pch s LEU 68 N 0.52 2.05 0.01 6.12 1.02 0.03 0.04 118.68 128.46 3pch s LEU 68 Ca -0.14 -0.31 0.08 0.00 0.02 0.00 0.00 54.13 53.77 3pch s LEU 68 Cb -0.16 -0.82 -0.02 0.00 0.02 0.00 0.00 46.19 45.21 3pch s LEU 68 CO 0.05 0.19 -0.24 -1.61 0.02 0.00 0.00 176.35 174.75 3pch s GLU 69 N -0.46 1.84 0.07 1.70 2.02 -0.30 -0.97 118.70 122.59 3pch s GLU 69 Ca 0.06 -0.95 0.05 0.00 0.02 0.00 0.00 54.97 54.15 3pch s GLU 69 Cb -0.06 -1.87 -0.03 0.00 0.10 0.00 0.00 34.13 32.27 3pch s GLU 69 CO -0.00 0.50 -0.14 0.14 0.02 0.00 0.00 175.26 175.78 3pch s VAL 70 N -0.67 1.08 -0.11 2.63 -7.23 -0.43 -1.14 120.40 114.54 3pch s VAL 70 Ca 0.10 -1.33 -0.04 0.00 -1.81 0.00 0.00 61.98 58.89 3pch s VAL 70 Cb -0.09 -1.08 0.06 0.00 0.56 0.00 0.00 36.38 35.82 3pch s VAL 70 CO 0.00 -0.26 0.22 0.86 -0.31 0.00 0.00 175.10 175.61 3pch s TRP 71 N -1.39 -0.33 0.09 2.82 -0.11 -0.66 -2.00 118.94 117.36 3pch s TRP 71 Ca -0.02 0.82 -0.08 0.00 1.22 0.00 0.00 56.10 58.05 3pch s TRP 71 Cb -0.09 -0.12 -0.00 0.00 -1.50 0.00 0.00 33.47 31.76 3pch s TRP 71 CO 0.02 -0.31 0.18 1.14 -4.62 0.00 0.00 176.95 173.36 3pch s GLN 72 N 2.29 0.85 0.75 5.86 -2.07 -0.13 -0.89 119.66 126.32 3pch s GLN 72 Ca 0.01 -0.99 -0.12 0.00 -1.82 0.00 0.00 55.36 52.45 3pch s GLN 72 Cb -0.12 0.34 0.04 0.00 -1.09 0.00 0.00 33.01 32.18 3pch s GLN 72 CO -0.07 -0.27 1.11 0.00 -1.32 0.00 0.00 175.29 174.73 3pch s ALA 73 N -3.87 2.66 1.01 2.60 0.00 -1.26 -4.47 121.76 118.43 3pch s ALA 73 Ca 0.06 -0.34 -0.07 0.00 0.00 0.00 0.00 51.96 51.61 3pch s ALA 73 Cb 0.05 -3.04 0.09 0.00 0.00 0.00 0.00 23.12 20.22 3pch s ALA 73 CO -0.10 -1.39 0.51 -0.40 0.00 0.00 0.00 175.76 174.38 3pch n ASP 74 N -3.18 -0.16 0.30 0.00 5.68 0.26 -4.33 116.55 115.12 3pch n ASP 74 Ca 0.07 -1.13 0.19 0.00 -0.50 0.00 0.00 54.79 53.42 3pch n ASP 74 Cb 0.57 -0.40 0.94 0.00 -1.14 0.00 0.00 41.12 41.09 3pch n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3pch h ALA 75 N -1.97 1.08 -0.43 2.12 0.00 -1.83 0.22 119.26 118.45 3pch h ALA 75 Ca -0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3pch h ALA 75 Cb 0.47 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3pch h ALA 75 CO 0.12 0.03 0.00 0.09 0.00 0.00 0.00 179.25 179.49 3pch n ASN 76 N -3.22 2.39 -1.31 0.00 3.02 -1.26 -3.65 115.26 111.23 3pch n ASN 76 Ca -0.02 -1.97 -0.09 0.00 -0.03 0.00 0.00 54.58 52.47 3pch n ASN 76 Cb 0.18 -0.28 0.01 0.00 -0.61 0.00 0.00 39.78 39.08 3pch n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pch n GLY 77 N 1.22 0.12 3.39 7.41 0.00 -0.49 -4.80 105.19 112.04 3pch n GLY 77 Ca 0.15 -0.43 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 3pch n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3pch s GLU 78 N -4.85 2.78 -0.38 1.61 2.02 -1.25 -4.67 118.70 113.97 3pch s GLU 78 Ca 0.09 -0.75 -0.21 0.00 0.02 0.00 0.00 54.97 54.13 3pch s GLU 78 Cb -0.04 -2.40 0.01 0.00 0.10 0.00 0.00 34.13 31.80 3pch s GLU 78 CO 0.11 0.44 0.66 0.71 0.02 0.00 0.00 175.26 177.20 3pch s TYR 79 N -0.26 3.12 -0.69 1.61 2.02 -1.26 0.90 117.35 122.79 3pch s TYR 79 Ca 0.01 0.28 -0.18 0.00 -0.37 0.00 0.00 57.07 56.81 3pch s TYR 79 Cb -0.13 -3.23 0.13 0.00 -0.40 0.00 0.00 41.96 38.34 3pch s TYR 79 CO 0.03 -0.70 0.78 -0.65 -1.57 0.00 0.00 175.55 173.44 3pch s GLN 80 N 2.79 3.23 0.10 -0.62 -1.52 -1.26 -4.91 119.66 117.46 3pch s GLN 80 Ca 0.25 -1.62 0.07 0.00 -1.95 0.00 0.00 55.36 52.11 3pch s GLN 80 Cb -0.14 -4.40 -0.22 0.00 -0.22 0.00 0.00 33.01 28.03 3pch s GLN 80 CO 0.16 -1.53 1.19 0.38 -0.25 0.00 0.00 175.29 175.25 3pch h ASP 81 N 8.86 0.03 -0.91 5.90 2.03 -1.97 -3.28 116.42 127.07 3pch h ASP 81 Ca -0.15 -0.03 -0.36 0.00 -0.73 0.00 0.00 57.03 55.76 3pch h ASP 81 Cb 1.07 -0.01 -0.06 0.00 -0.83 0.00 0.00 39.33 39.50 3pch h ASP 81 CO 1.04 1.02 0.91 0.00 -1.03 0.00 0.00 179.24 181.18 3pch s ALA 82 N -2.69 1.88 0.06 4.15 0.00 -1.26 -4.93 121.76 118.97 3pch s ALA 82 Ca -0.00 -1.54 -0.31 0.00 0.00 0.00 0.00 51.96 50.11 3pch s ALA 82 Cb 0.10 -4.53 -0.07 0.00 0.00 0.00 0.00 23.12 18.62 3pch s ALA 82 CO 0.82 -4.53 1.52 -0.47 0.00 0.00 0.00 175.76 173.10 3pch s TYR 83 N 9.16 2.77 -0.25 0.00 5.04 -1.26 -5.00 117.35 127.80 3pch s TYR 83 Ca 0.66 0.62 -0.14 0.00 -2.44 0.00 0.00 57.07 55.77 3pch s TYR 83 Cb -0.06 -3.81 0.08 0.00 0.35 0.00 0.00 41.96 38.51 3pch s TYR 83 CO -0.00 -3.10 0.62 1.21 -1.34 0.00 0.00 175.55 172.94 3pch s ASN 84 N 1.89 -0.84 0.55 4.32 3.84 -1.26 -5.02 114.94 118.42 3pch s ASN 84 Ca 0.69 1.36 0.31 0.00 0.21 0.00 0.00 52.86 55.42 3pch s ASN 84 Cb -0.37 1.26 1.63 0.00 -0.55 0.00 0.00 41.25 43.21 3pch s ASN 84 CO 0.30 -0.23 2.12 -0.07 -2.79 0.00 0.00 177.10 176.43 3pch h LEU 85 N 7.07 0.00 -1.06 3.21 3.38 -1.97 -1.82 115.31 124.12 3pch h LEU 85 Ca -0.31 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.58 3pch h LEU 85 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 3pch h LEU 85 CO 0.19 0.08 -0.38 -0.33 0.09 0.00 0.00 178.44 178.09 3pch h GLU 86 N 0.00 0.00 -7.11 1.13 5.08 -2.00 -3.45 114.58 108.23 3pch h GLU 86 Ca -0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.81 3pch h GLU 86 Cb 0.28 0.00 0.14 0.00 0.50 0.00 0.00 28.75 29.67 3pch h GLU 86 CO 0.01 0.38 0.49 -0.80 -1.00 0.00 0.00 179.01 178.10 3pch s ASN 87 N -6.55 4.83 0.18 1.42 0.01 -0.69 -4.92 114.94 109.23 3pch s ASN 87 Ca -0.01 2.52 -0.03 0.00 -0.71 0.00 0.00 52.86 54.62 3pch s ASN 87 Cb 0.12 -2.61 0.09 0.00 0.41 0.00 0.00 41.25 39.26 3pch s ASN 87 CO 0.69 -1.85 1.48 0.00 -1.51 0.00 0.00 177.10 175.92 3pch h ALA 88 N 0.66 0.66 -3.55 0.60 0.00 -1.88 -3.44 119.26 112.31 3pch h ALA 88 Ca -0.51 -0.53 -0.26 0.00 0.00 0.00 0.00 54.91 53.61 3pch h ALA 88 Cb 1.32 -0.08 -0.31 0.00 0.00 0.00 0.00 17.79 18.72 3pch h ALA 88 CO 0.54 0.70 -0.69 0.12 0.00 0.00 0.00 179.25 179.91 3pch s PHE 89 N -3.93 -0.02 -0.08 0.00 5.36 -1.26 -0.08 117.98 117.97 3pch s PHE 89 Ca -0.07 0.15 0.04 0.00 -0.96 0.00 0.00 56.93 56.09 3pch s PHE 89 Cb 0.11 -0.11 -0.01 0.00 -0.34 0.00 0.00 43.02 42.67 3pch s PHE 89 CO 0.84 -0.07 -0.22 -0.80 -1.46 0.00 0.00 175.22 173.52 3pch s ASN 90 N 0.63 3.33 0.39 6.13 0.01 0.20 -4.95 114.94 120.67 3pch s ASN 90 Ca -0.05 -0.47 0.28 0.00 -0.71 0.00 0.00 52.86 51.91 3pch s ASN 90 Cb -0.07 -1.18 1.00 0.00 0.41 0.00 0.00 41.25 41.41 3pch s ASN 90 CO -0.02 0.21 1.81 0.28 -1.51 0.00 0.00 177.10 177.87 3pch h SER 91 N 6.34 0.00 -4.15 -1.22 0.02 -1.78 -3.43 113.55 109.33 3pch h SER 91 Ca -0.27 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 59.98 3pch h SER 91 Cb 1.20 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 63.50 3pch h SER 91 CO 0.49 0.00 -0.81 0.12 -1.14 0.00 0.00 176.83 175.49 3pch s PHE 92 N -3.40 2.58 0.25 3.45 5.36 -1.26 -0.96 117.98 124.00 3pch s PHE 92 Ca 0.04 -0.25 -0.14 0.00 -0.96 0.00 0.00 56.93 55.62 3pch s PHE 92 Cb 0.09 -1.56 0.00 0.00 -0.34 0.00 0.00 43.02 41.21 3pch s PHE 92 CO 0.53 0.15 0.51 0.20 -1.46 0.00 0.00 175.22 175.15 3pch s GLY 93 N -0.88 0.40 0.02 13.12 0.00 -0.85 -4.85 107.32 114.27 3pch s GLY 93 Ca 0.12 -0.75 0.04 0.00 0.00 0.00 0.00 44.72 44.13 3pch s GLY 93 CO 0.01 -0.53 -0.11 0.50 0.00 0.00 0.00 173.10 172.97 3pch s ARG 94 N -3.99 0.80 0.22 2.90 0.52 -0.35 -1.31 118.95 117.73 3pch s ARG 94 Ca 0.20 -0.58 -0.10 0.00 -0.52 0.00 0.00 55.73 54.72 3pch s ARG 94 Cb -0.01 -0.76 -0.01 0.00 0.52 0.00 0.00 34.95 34.69 3pch s ARG 94 CO 0.08 0.19 0.38 -0.08 0.02 0.00 0.00 175.30 175.88 3pch s THR 95 N -0.67 0.02 0.10 0.02 -1.32 -0.14 -0.86 115.64 112.78 3pch s THR 95 Ca 0.01 -1.46 -0.15 0.00 -1.21 0.00 0.00 61.69 58.88 3pch s THR 95 Cb -0.06 -2.12 0.03 0.00 -1.51 0.00 0.00 72.50 68.84 3pch s THR 95 CO 0.00 -0.08 0.37 0.00 -2.21 0.00 0.00 174.62 172.70 3pch s ALA 96 N -4.02 -0.84 0.10 11.08 0.00 -1.26 -0.79 121.76 126.03 3pch s ALA 96 Ca 0.23 -0.05 -0.13 0.00 0.00 0.00 0.00 51.96 52.00 3pch s ALA 96 Cb 0.02 0.57 -0.06 0.00 0.00 0.00 0.00 23.12 23.64 3pch s ALA 96 CO 0.06 -0.57 0.48 0.95 0.00 0.00 0.00 175.76 176.68 3pch s THR 97 N -3.47 4.95 0.48 0.00 -4.23 -0.97 -4.21 115.64 108.19 3pch s THR 97 Ca 0.01 0.73 -0.23 0.00 -1.18 0.00 0.00 61.69 61.02 3pch s THR 97 Cb 0.02 -3.71 -0.07 0.00 1.34 0.00 0.00 72.50 70.07 3pch s THR 97 CO -0.09 0.33 1.28 0.42 -0.54 0.00 0.00 174.62 176.02 3pch s THR 98 N -1.36 2.58 0.29 3.99 -4.23 -1.15 -4.65 115.64 111.10 3pch s THR 98 Ca 0.33 0.46 0.21 0.00 -1.18 0.00 0.00 61.69 61.51 3pch s THR 98 Cb -0.15 -3.24 0.18 0.00 1.34 0.00 0.00 72.50 70.63 3pch s THR 98 CO 0.18 0.02 1.87 -0.26 -0.54 0.00 0.00 174.62 175.89 3pch h PHE 99 N 2.02 0.00 0.00 3.99 0.04 -1.95 -1.15 116.94 119.89 3pch h PHE 99 Ca -0.50 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.27 3pch h PHE 99 Cb 1.27 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.42 3pch h PHE 99 CO 0.51 0.28 0.00 -0.40 -0.60 0.00 0.00 178.31 178.09 3pch n ASP 100 N -3.68 0.00 -0.25 2.17 5.75 -1.26 -4.65 116.55 114.63 3pch n ASP 100 Ca -0.01 0.00 0.07 0.00 -0.01 0.00 0.00 54.79 54.84 3pch n ASP 100 Cb 0.39 0.00 0.32 0.00 -1.03 0.00 0.00 41.12 40.80 3pch n ASP 100 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3pch h ALA 101 N -2.00 1.66 -1.31 2.12 0.00 -1.99 -3.47 119.26 114.28 3pch h ALA 101 Ca 0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 3pch h ALA 101 Cb 0.00 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.59 3pch h ALA 101 CO 0.00 0.19 -0.15 0.41 0.00 0.00 0.00 179.25 179.70 3pch n GLY 102 N -1.42 0.30 3.26 0.00 0.00 -0.43 -4.91 105.19 101.99 3pch n GLY 102 Ca 0.13 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 3pch n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pch s GLU 103 N -4.65 1.86 0.24 1.61 2.12 -1.26 -4.42 118.70 114.19 3pch s GLU 103 Ca 0.05 -0.84 0.07 0.00 0.36 0.00 0.00 54.97 54.61 3pch s GLU 103 Cb -0.02 -1.81 -0.04 0.00 0.26 0.00 0.00 34.13 32.52 3pch s GLU 103 CO 0.07 0.50 0.17 1.67 -0.54 0.00 0.00 175.26 177.13 3pch s TRP 104 N -0.56 3.09 0.01 5.30 1.48 -0.33 -2.95 118.94 124.98 3pch s TRP 104 Ca 0.09 -0.10 -0.07 0.00 -1.06 0.00 0.00 56.10 54.95 3pch s TRP 104 Cb -0.09 -1.41 0.00 0.00 -1.16 0.00 0.00 33.47 30.82 3pch s TRP 104 CO -0.01 0.53 0.14 0.95 -4.06 0.00 0.00 176.95 174.50 3pch s THR 105 N -2.08 0.09 -0.01 0.66 -4.23 -1.26 -2.26 115.64 106.55 3pch s THR 105 Ca 0.32 -0.74 -0.01 0.00 -1.18 0.00 0.00 61.69 60.09 3pch s THR 105 Cb -0.08 -0.49 0.01 0.00 1.34 0.00 0.00 72.50 73.27 3pch s THR 105 CO 0.24 -0.40 0.04 -0.22 -0.54 0.00 0.00 174.62 173.73 3pch s LEU 106 N -1.48 1.78 -0.31 4.79 2.96 0.21 -4.85 118.68 121.78 3pch s LEU 106 Ca -0.14 0.07 -0.05 0.00 -0.22 0.00 0.00 54.13 53.79 3pch s LEU 106 Cb -0.07 0.11 0.03 0.00 0.50 0.00 0.00 46.19 46.76 3pch s LEU 106 CO 0.01 -0.02 0.06 -1.00 -1.32 0.00 0.00 176.35 174.08 3pch s HIS 107 N 0.13 3.20 0.00 5.38 3.76 -0.08 0.27 115.29 127.95 3pch s HIS 107 Ca -0.01 -1.38 0.00 0.00 -0.15 0.00 0.00 55.06 53.52 3pch s HIS 107 Cb -0.01 -2.22 0.00 0.00 1.11 0.00 0.00 32.58 31.46 3pch s HIS 107 CO -0.00 -0.70 0.00 -2.37 -0.85 0.00 0.00 174.74 170.82 3pch n THR 108 N 4.78 0.00 -4.34 1.30 5.66 -0.76 -0.46 114.28 120.47 3pch n THR 108 Ca -0.14 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.64 3pch n THR 108 Cb 0.46 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.12 3pch n THR 108 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 3pch s VAL 109 N -2.39 1.87 0.01 1.08 -7.23 -1.26 -0.56 120.40 111.93 3pch s VAL 109 Ca 0.00 -1.89 -0.30 0.00 -1.81 0.00 0.00 61.98 57.97 3pch s VAL 109 Cb 0.00 -1.85 -0.06 0.00 0.56 0.00 0.00 36.38 35.03 3pch s VAL 109 CO 0.00 -0.27 1.46 -0.75 -0.31 0.00 0.00 175.10 175.23 3pch s LYS 110 N -2.70 4.26 0.44 4.82 2.20 -0.54 -4.89 119.74 123.33 3pch s LYS 110 Ca 0.15 2.05 -0.24 0.00 -0.36 0.00 0.00 55.97 57.57 3pch s LYS 110 Cb -0.06 -3.58 -0.08 0.00 -1.51 0.00 0.00 37.83 32.59 3pch s LYS 110 CO 0.07 -0.62 1.26 -1.25 -0.36 0.00 0.00 175.35 174.45 3pch s PRO 111 N 2.48 3.79 0.90 4.03 0.04 -1.26 -4.11 135.00 140.86 3pch s PRO 111 Ca 0.66 2.03 -0.13 0.00 0.04 0.00 0.00 61.00 63.60 3pch s PRO 111 Cb -0.33 -2.58 0.13 0.00 0.04 0.00 0.00 34.50 31.76 3pch s PRO 111 CO 0.28 -0.60 1.18 0.20 0.04 0.00 0.00 177.00 178.10 3pch s GLY 112 N -0.98 1.62 0.25 0.56 0.00 0.64 -4.68 107.32 104.73 3pch s GLY 112 Ca 0.61 -0.71 -0.30 0.00 0.00 0.00 0.00 44.72 44.32 3pch s GLY 112 CO 0.44 -0.13 1.02 0.14 0.00 0.00 0.00 173.10 174.57 3pch s VAL 113 N -3.48 3.81 0.10 1.40 1.01 -1.26 -4.39 120.40 117.59 3pch s VAL 113 Ca 0.65 1.81 0.06 0.00 0.00 0.00 0.00 61.98 64.50 3pch s VAL 113 Cb -0.11 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 3pch s VAL 113 CO 0.52 0.43 -0.15 0.68 0.00 0.00 0.00 175.10 176.57 3pch s VAL 114 N -1.11 1.31 0.13 2.92 -7.23 -1.26 -4.43 120.40 110.74 3pch s VAL 114 Ca 0.43 -1.57 -0.05 0.00 -1.81 0.00 0.00 61.98 58.98 3pch s VAL 114 Cb -0.29 -1.39 -0.05 0.00 0.56 0.00 0.00 36.38 35.20 3pch s VAL 114 CO 0.36 -0.31 0.36 0.20 -0.31 0.00 0.00 175.10 175.40 3pch s ASN 115 N -2.17 6.49 0.88 4.85 0.01 -1.26 0.08 114.94 123.82 3pch s ASN 115 Ca 0.05 0.57 -0.13 0.00 -0.71 0.00 0.00 52.86 52.65 3pch s ASN 115 Cb -0.07 -2.08 0.14 0.00 0.41 0.00 0.00 41.25 39.65 3pch s ASN 115 CO 0.03 0.07 1.23 0.54 -1.51 0.00 0.00 177.10 177.46 3pch s ASN 116 N -2.39 3.79 0.37 -1.22 4.22 0.96 -4.88 114.94 115.79 3pch s ASN 116 Ca 0.40 0.43 0.11 0.00 -2.14 0.00 0.00 52.86 51.66 3pch s ASN 116 Cb -0.12 -0.69 0.89 0.00 1.28 0.00 0.00 41.25 42.60 3pch s ASN 116 CO 0.24 -2.32 1.87 0.00 -2.04 0.00 0.00 177.10 174.85 3pch h ALA 117 N -1.31 1.92 0.00 3.54 0.00 -1.99 0.28 119.26 121.70 3pch h ALA 117 Ca -0.45 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3pch h ALA 117 Cb 1.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3pch h ALA 117 CO 0.50 -0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.57 3pch n ALA 118 N -2.45 2.54 -0.97 0.00 0.00 -1.26 -4.86 120.51 113.51 3pch n ALA 118 Ca 0.18 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3pch n ALA 118 Cb 0.52 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3pch n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3pch n GLY 119 N 0.73 0.43 3.81 0.00 0.00 0.98 -5.04 105.19 106.10 3pch n GLY 119 Ca 0.20 -0.77 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 3pch n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pch s VAL 120 N -2.00 5.32 0.36 1.61 1.01 -1.25 -4.80 120.40 120.65 3pch s VAL 120 Ca 0.00 0.46 -0.27 0.00 0.00 0.00 0.00 61.98 62.16 3pch s VAL 120 Cb 0.00 -3.55 -0.09 0.00 0.00 0.00 0.00 36.38 32.73 3pch s VAL 120 CO 0.00 0.52 1.25 -2.84 0.00 0.00 0.00 175.10 174.03 3pch s PRO 121 N -0.43 4.24 0.05 2.72 0.02 -1.26 -0.02 135.00 140.31 3pch s PRO 121 Ca 0.17 2.06 0.03 0.00 0.02 0.00 0.00 61.00 63.28 3pch s PRO 121 Cb -0.13 -2.93 -0.04 0.00 0.02 0.00 0.00 34.50 31.42 3pch s PRO 121 CO 0.05 -0.23 0.04 -1.64 -0.33 0.00 0.00 177.00 174.89 3pch s MET 122 N -1.96 2.79 0.55 5.54 -1.94 0.11 -4.37 119.30 120.02 3pch s MET 122 Ca 0.52 -0.69 -0.20 0.00 -1.71 0.00 0.00 55.69 53.62 3pch s MET 122 Cb -0.36 -2.68 -0.05 0.00 2.01 0.00 0.00 34.83 33.74 3pch s MET 122 CO 0.47 0.58 1.16 0.00 -0.01 0.00 0.00 175.02 177.22 3pch s ALA 123 N -1.27 2.68 0.07 3.03 0.00 -1.26 -4.03 121.76 120.97 3pch s ALA 123 Ca 0.25 0.90 -0.37 0.00 0.00 0.00 0.00 51.96 52.74 3pch s ALA 123 Cb -0.12 -3.39 -0.17 0.00 0.00 0.00 0.00 23.12 19.44 3pch s ALA 123 CO 0.17 -0.88 1.35 -2.30 0.00 0.00 0.00 175.76 174.10 3pch n PRO 124 N -1.31 1.14 -3.64 0.00 -0.02 -1.26 -4.89 135.00 125.03 3pch n PRO 124 Ca 0.12 0.41 -0.11 0.00 -2.02 0.00 0.00 63.50 61.90 3pch n PRO 124 Cb 0.50 -2.06 -0.05 0.00 -0.02 0.00 0.00 33.50 31.88 3pch n PRO 124 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3pch s HIS 125 N 0.58 -0.23 -0.12 6.00 -3.43 -1.26 -4.30 115.29 112.53 3pch s HIS 125 Ca 0.85 -0.01 0.03 0.00 -0.80 0.00 0.00 55.06 55.13 3pch s HIS 125 Cb -0.96 0.25 0.01 0.00 -1.43 0.00 0.00 32.58 30.45 3pch s HIS 125 CO 0.47 -0.67 -0.22 0.42 -2.00 0.00 0.00 174.74 172.74 3pch s ILE 126 N -3.42 2.02 -0.06 -5.38 1.01 -0.18 -4.62 121.20 110.57 3pch s ILE 126 Ca 0.01 -0.97 -0.27 0.00 0.00 0.00 0.00 60.65 59.41 3pch s ILE 126 Cb 0.01 -1.77 -0.03 0.00 0.01 0.00 0.00 42.46 40.68 3pch s ILE 126 CO -0.09 0.55 0.87 0.20 0.00 0.00 0.00 174.94 176.46 3pch s ASN 127 N 0.60 7.17 -0.00 3.58 0.01 -0.07 -0.03 114.94 126.20 3pch s ASN 127 Ca -0.13 1.42 0.06 0.00 -0.71 0.00 0.00 52.86 53.51 3pch s ASN 127 Cb -0.17 -2.50 -0.02 0.00 0.41 0.00 0.00 41.25 38.98 3pch s ASN 127 CO 0.03 -0.25 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.54 3pch s ILE 128 N 1.21 1.55 -0.20 0.60 1.01 0.27 -1.66 121.20 123.98 3pch s ILE 128 Ca 0.45 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 60.22 3pch s ILE 128 Cb -0.19 -1.30 0.04 0.00 0.01 0.00 0.00 42.46 41.02 3pch s ILE 128 CO 0.21 0.39 -0.11 -0.44 0.00 0.00 0.00 174.94 174.99 3pch s SER 129 N -0.58 3.37 -0.20 3.58 0.01 -0.29 -0.35 113.70 119.24 3pch s SER 129 Ca 0.07 -0.87 -0.08 0.00 1.31 0.00 0.00 55.95 56.38 3pch s SER 129 Cb -0.08 -1.26 -0.04 0.00 0.21 0.00 0.00 66.02 64.85 3pch s SER 129 CO -0.00 -0.13 0.09 -0.22 0.41 0.00 0.00 173.24 173.39 3pch s LEU 130 N 1.38 3.91 0.06 2.44 2.96 0.13 -1.15 118.68 128.41 3pch s LEU 130 Ca -0.01 0.09 0.05 0.00 -0.22 0.00 0.00 54.13 54.05 3pch s LEU 130 Cb -0.16 -2.01 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 3pch s LEU 130 CO -0.09 0.15 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.58 3pch s PHE 131 N 0.55 1.30 0.00 5.38 0.40 0.11 -1.09 117.98 124.63 3pch s PHE 131 Ca 0.05 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 55.97 3pch s PHE 131 Cb -0.12 -0.75 0.00 0.00 0.51 0.00 0.00 43.02 42.66 3pch s PHE 131 CO 0.01 0.06 0.00 0.00 0.70 0.00 0.00 175.22 175.99 3pch n ALA 132 N 1.53 0.00 -1.70 5.36 0.00 -1.26 0.19 120.51 124.63 3pch n ALA 132 Ca -0.20 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.82 3pch n ALA 132 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.98 3pch n ALA 132 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3pch n ARG 133 N -0.20 2.14 0.00 0.00 1.85 -1.24 -0.55 116.66 118.66 3pch n ARG 133 Ca 0.00 0.75 0.00 0.00 -1.00 0.00 0.00 57.85 57.60 3pch n ARG 133 Cb 0.00 -2.36 0.00 0.00 -1.05 0.00 0.00 32.46 29.05 3pch n ARG 133 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3pch n GLY 134 N 1.12 2.69 3.36 2.89 0.00 -1.26 -4.94 105.19 109.04 3pch n GLY 134 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 3pch n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3pch s ILE 135 N -2.40 4.53 0.12 -0.61 1.01 0.28 -4.97 121.20 119.16 3pch s ILE 135 Ca 0.00 -0.94 -0.13 0.00 0.00 0.00 0.00 60.65 59.58 3pch s ILE 135 Cb 0.00 -3.56 -0.05 0.00 0.01 0.00 0.00 42.46 38.86 3pch s ILE 135 CO 0.00 -0.27 1.48 0.78 0.00 0.00 0.00 174.94 176.92 3pch h ASN 136 N 8.43 0.85 -3.71 3.58 2.35 -1.91 -3.34 115.58 121.84 3pch h ASN 136 Ca -0.25 -0.43 -0.44 0.00 -0.55 0.00 0.00 56.30 54.62 3pch h ASN 136 Cb 1.10 -0.24 -0.32 0.00 0.05 0.00 0.00 38.32 38.92 3pch h ASN 136 CO 0.68 1.10 -0.79 -0.51 -1.65 0.00 0.00 177.43 176.26 3pch s ILE 137 N -4.51 0.84 0.63 2.81 2.07 -1.26 -3.09 121.20 118.69 3pch s ILE 137 Ca -0.12 -0.36 -0.18 0.00 -1.41 0.00 0.00 60.65 58.57 3pch s ILE 137 Cb 0.10 -0.76 -0.02 0.00 0.13 0.00 0.00 42.46 41.91 3pch s ILE 137 CO 0.84 0.27 1.24 0.00 -1.91 0.00 0.00 174.94 175.38 3pch n HIS 138 N 3.47 1.75 -3.71 3.50 1.44 -1.26 -4.99 115.22 115.43 3pch n HIS 138 Ca -0.20 0.42 -0.37 0.00 -2.01 0.00 0.00 57.72 55.56 3pch n HIS 138 Cb 0.53 -2.25 -0.06 0.00 0.12 0.00 0.00 29.99 28.33 3pch n HIS 138 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3pch s LEU 139 N -3.87 4.37 -0.15 2.39 1.43 -0.25 -4.91 118.68 117.69 3pch s LEU 139 Ca 0.81 0.59 -0.06 0.00 -1.03 0.00 0.00 54.13 54.44 3pch s LEU 139 Cb -0.39 -2.27 -0.04 0.00 0.03 0.00 0.00 46.19 43.53 3pch s LEU 139 CO 0.42 0.32 0.05 -1.00 0.23 0.00 0.00 176.35 176.36 3pch s HIS 140 N -0.68 3.24 0.27 0.29 3.76 -1.26 0.20 115.29 121.11 3pch s HIS 140 Ca 0.17 0.10 -0.06 0.00 -0.15 0.00 0.00 55.06 55.13 3pch s HIS 140 Cb -0.13 -2.00 -0.01 0.00 1.11 0.00 0.00 32.58 31.55 3pch s HIS 140 CO 0.06 0.25 0.37 -0.08 -0.85 0.00 0.00 174.74 174.49 3pch s THR 141 N -0.01 0.00 -0.00 1.30 -1.32 0.52 -0.12 115.64 116.01 3pch s THR 141 Ca 0.05 -1.66 0.03 0.00 -1.21 0.00 0.00 61.69 58.91 3pch s THR 141 Cb -0.12 -2.43 -0.01 0.00 -1.51 0.00 0.00 72.50 68.43 3pch s THR 141 CO 0.01 0.00 -0.11 -0.13 -2.21 0.00 0.00 174.62 172.18 3pch s ARG 142 N -3.76 0.86 -0.24 7.08 0.52 -1.26 -0.57 118.95 121.59 3pch s ARG 142 Ca 0.30 -0.41 -0.06 0.00 -0.52 0.00 0.00 55.73 55.04 3pch s ARG 142 Cb 0.02 -0.83 -0.02 0.00 0.52 0.00 0.00 34.95 34.63 3pch s ARG 142 CO 0.14 0.23 0.04 -1.17 0.02 0.00 0.00 175.30 174.56 3pch s LEU 143 N -0.32 3.33 0.32 2.53 0.20 0.96 -4.77 118.68 120.94 3pch s LEU 143 Ca 0.04 -0.23 0.08 0.00 0.69 0.00 0.00 54.13 54.70 3pch s LEU 143 Cb -0.04 -1.88 -0.04 0.00 -0.43 0.00 0.00 46.19 43.80 3pch s LEU 143 CO -0.00 -0.02 0.18 -0.31 -0.29 0.00 0.00 176.35 175.90 3pch s TYR 144 N 1.50 2.80 -0.11 5.38 1.51 -0.04 -1.01 117.35 127.38 3pch s TYR 144 Ca 0.06 -0.32 -0.02 0.00 -1.01 0.00 0.00 57.07 55.78 3pch s TYR 144 Cb -0.15 -1.62 -0.03 0.00 -0.11 0.00 0.00 41.96 40.05 3pch s TYR 144 CO 0.02 0.34 -0.03 -0.06 -1.11 0.00 0.00 175.55 174.71 3pch s PHE 145 N -2.35 3.05 0.30 2.71 0.40 -1.26 0.18 117.98 121.01 3pch s PHE 145 Ca 0.37 -0.03 0.31 0.00 -0.60 0.00 0.00 56.93 56.98 3pch s PHE 145 Cb -0.04 -1.84 1.45 0.00 0.51 0.00 0.00 43.02 43.10 3pch s PHE 145 CO 0.24 0.24 2.04 0.38 0.70 0.00 0.00 175.22 178.81 3pch h ASP 146 N 5.78 0.00 -0.21 1.36 2.03 -1.33 -2.83 116.42 121.21 3pch h ASP 146 Ca -0.43 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.87 3pch h ASP 146 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 3pch h ASP 146 CO 0.57 0.09 0.00 -0.90 -1.03 0.00 0.00 179.24 177.98 3pch n ASP 147 N -3.36 1.30 -0.78 4.15 5.75 -1.26 -3.66 116.55 118.70 3pch n ASP 147 Ca -0.01 -2.03 0.06 0.00 -0.01 0.00 0.00 54.79 52.80 3pch n ASP 147 Cb 0.28 -0.19 0.17 0.00 -1.03 0.00 0.00 41.12 40.35 3pch n ASP 147 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3pch n GLU 148 N 0.15 1.25 -0.36 0.11 -0.58 -1.07 -4.87 120.64 115.27 3pch n GLU 148 Ca 0.07 -3.02 0.29 0.00 -0.42 0.00 0.00 57.16 54.08 3pch n GLU 148 Cb 0.22 -1.28 0.59 0.00 -0.57 0.00 0.00 31.44 30.40 3pch n GLU 148 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3pch h ALA 149 N 0.98 2.52 -0.08 0.62 0.00 -1.75 0.23 119.26 121.79 3pch h ALA 149 Ca -0.05 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3pch h ALA 149 Cb 1.19 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 3pch h ALA 149 CO 0.02 -0.97 -0.03 1.96 0.00 0.00 0.00 179.25 180.23 3pch h GLN 150 N 0.25 0.16 -0.21 0.00 4.20 -1.93 -2.29 115.11 115.28 3pch h GLN 150 Ca 0.65 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 59.28 3pch h GLN 150 Cb 1.91 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.68 3pch h GLN 150 CO -0.27 0.50 0.07 0.00 -0.67 0.00 0.00 178.83 178.46 3pch h ALA 151 N 0.66 0.28 -0.76 3.87 0.00 -1.53 -3.07 119.26 118.71 3pch h ALA 151 Ca 0.02 -0.13 0.15 0.00 0.00 0.00 0.00 54.91 54.96 3pch h ALA 151 Cb 0.44 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.05 3pch h ALA 151 CO 0.01 -0.11 0.29 -0.91 0.00 0.00 0.00 179.25 178.53 3pch h ASN 152 N 0.18 0.25 -0.04 0.00 2.35 -0.63 -1.30 115.58 116.39 3pch h ASN 152 Ca 0.07 0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.92 3pch h ASN 152 Cb 0.21 0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 3pch h ASN 152 CO -0.00 0.07 -0.02 0.00 -1.65 0.00 0.00 177.43 175.83 3pch h ALA 153 N 1.57 1.73 -0.15 -0.83 0.00 -1.31 -2.62 119.26 117.66 3pch h ALA 153 Ca 0.43 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3pch h ALA 153 Cb 0.68 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3pch h ALA 153 CO -0.43 0.21 0.00 1.63 0.00 0.00 0.00 179.25 180.66 3pch n LYS 154 N -4.40 2.32 -1.86 0.00 4.76 -0.55 -4.93 118.16 113.50 3pch n LYS 154 Ca -0.01 -1.94 -0.42 0.00 -2.87 0.00 0.00 58.31 53.07 3pch n LYS 154 Cb 0.17 -1.48 -0.03 0.00 -1.84 0.00 0.00 35.03 31.85 3pch n LYS 154 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3pch h PRO 156 N 10.13 0.00 0.04 0.00 0.13 -1.91 0.37 132.00 140.76 3pch h PRO 156 Ca -0.44 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.63 3pch h PRO 156 Cb 1.20 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.34 3pch h PRO 156 CO 0.95 0.05 -0.26 0.28 -0.23 0.00 0.00 178.00 178.79 3pch h VAL 157 N 0.00 1.68 -0.95 1.56 2.07 -1.93 -3.24 116.25 115.43 3pch h VAL 157 Ca -0.00 -2.33 0.03 0.00 0.82 0.00 0.00 66.70 65.23 3pch h VAL 157 Cb 0.10 3.24 -0.05 0.00 -1.52 0.00 0.00 31.29 33.05 3pch h VAL 157 CO 0.01 0.62 0.63 0.25 0.02 0.00 0.00 177.57 179.10 3pch h LEU 158 N -0.75 1.04 -1.65 2.57 5.85 -1.82 -2.07 115.31 118.49 3pch h LEU 158 Ca -0.04 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.66 3pch h LEU 158 Cb 1.17 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.96 3pch h LEU 158 CO 0.05 0.72 0.00 0.78 -0.34 0.00 0.00 178.44 179.65 3pch h ASN 159 N 1.21 0.00 1.32 1.25 2.35 -1.02 -2.30 115.58 118.39 3pch h ASN 159 Ca 0.38 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.08 3pch h ASN 159 Cb -0.01 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3pch h ASN 159 CO -0.11 0.00 -0.20 -0.07 -1.65 0.00 0.00 177.43 175.40 3pch h LEU 160 N 0.00 0.00 -8.53 1.61 3.38 -1.39 -3.41 115.31 106.96 3pch h LEU 160 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 3pch h LEU 160 Cb 0.23 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 3pch h LEU 160 CO 0.00 0.20 1.12 -0.63 0.09 0.00 0.00 178.44 179.21 3pch s ILE 161 N -3.40 3.73 0.22 1.22 1.01 -0.87 -4.91 121.20 118.20 3pch s ILE 161 Ca 0.03 0.57 -0.19 0.00 0.00 0.00 0.00 60.65 61.05 3pch s ILE 161 Cb 0.08 -4.50 0.20 0.00 0.01 0.00 0.00 42.46 38.25 3pch s ILE 161 CO 0.65 -1.30 1.55 -0.33 0.00 0.00 0.00 174.94 175.52 3pch h GLU 162 N 11.22 -0.02 -5.41 2.79 5.08 -1.87 -3.38 114.58 122.99 3pch h GLU 162 Ca -0.27 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.45 3pch h GLU 162 Cb 1.09 0.01 -0.14 0.00 0.50 0.00 0.00 28.75 30.20 3pch h GLU 162 CO 1.20 -0.02 0.09 -0.65 -1.00 0.00 0.00 179.01 178.64 3pch s GLN 163 N -5.91 3.61 0.24 2.33 -1.52 -1.26 -4.97 119.66 112.19 3pch s GLN 163 Ca -0.14 -0.06 -0.09 0.00 -1.95 0.00 0.00 55.36 53.13 3pch s GLN 163 Cb 0.19 -3.83 0.39 0.00 -0.22 0.00 0.00 33.01 29.54 3pch s GLN 163 CO 0.70 -0.74 1.61 -1.35 -0.25 0.00 0.00 175.29 175.26 3pch h PRO 164 N 8.51 0.03 -0.86 2.91 0.11 -1.98 0.18 132.00 140.91 3pch h PRO 164 Ca -0.27 -0.00 0.18 0.00 0.11 0.00 0.00 66.00 66.02 3pch h PRO 164 Cb 1.11 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.15 3pch h PRO 164 CO 0.83 0.02 0.57 1.96 -0.21 0.00 0.00 178.00 181.17 3pch h GLN 165 N 0.04 0.47 -0.06 1.05 7.50 -1.94 -0.68 115.11 121.49 3pch h GLN 165 Ca 0.40 -0.03 -0.12 0.00 0.50 0.00 0.00 58.65 59.40 3pch h GLN 165 Cb 0.66 -0.10 -0.01 0.00 0.05 0.00 0.00 27.48 28.07 3pch h GLN 165 CO -0.75 0.31 -0.51 0.00 -1.50 0.00 0.00 178.83 176.38 3pch h ARG 166 N 0.48 0.15 -0.95 1.46 3.08 -1.02 -3.06 114.38 114.52 3pch h ARG 166 Ca 0.44 -0.08 0.07 0.00 0.07 0.00 0.00 59.98 60.48 3pch h ARG 166 Cb 0.98 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.97 3pch h ARG 166 CO -0.17 0.63 0.60 0.00 -1.07 0.00 0.00 179.97 179.95 3pch h ARG 167 N 0.12 1.03 -0.56 0.04 3.08 -1.02 -1.82 114.38 115.25 3pch h ARG 167 Ca 0.00 -0.06 0.13 0.00 0.07 0.00 0.00 59.98 60.12 3pch h ARG 167 Cb 0.94 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.73 3pch h ARG 167 CO 0.07 0.68 0.39 0.93 -1.07 0.00 0.00 179.97 180.97 3pch h GLU 168 N 1.06 0.16 0.00 0.04 5.08 -1.45 -1.65 114.58 117.81 3pch h GLU 168 Ca 0.42 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 3pch h GLU 168 Cb 0.23 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3pch h GLU 168 CO -0.19 0.11 0.00 1.79 -1.00 0.00 0.00 179.01 179.72 3pch h THR 169 N 0.17 0.00 -0.02 1.13 1.35 -1.47 -2.34 112.91 111.73 3pch h THR 169 Ca 0.27 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 66.06 3pch h THR 169 Cb 0.82 0.64 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 3pch h THR 169 CO -0.04 0.00 -0.34 0.18 -0.25 0.00 0.00 175.52 175.06 3pch n LEU 170 N -2.31 2.16 -4.58 3.87 4.77 -0.62 -4.78 117.00 115.51 3pch n LEU 170 Ca -0.01 -0.77 -0.41 0.00 -0.03 0.00 0.00 56.01 54.79 3pch n LEU 170 Cb 0.09 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.10 3pch n LEU 170 CO 0.13 0.39 0.36 -0.63 -1.33 0.00 0.00 177.39 176.31 3pch s ILE 171 N -2.36 4.93 0.31 -0.08 1.01 -0.88 -0.86 121.20 123.26 3pch s ILE 171 Ca 0.21 0.66 -0.28 0.00 0.00 0.00 0.00 60.65 61.24 3pch s ILE 171 Cb 0.19 -4.02 -0.09 0.00 0.01 0.00 0.00 42.46 38.54 3pch s ILE 171 CO 0.50 -0.22 1.10 0.00 0.00 0.00 0.00 174.94 176.32 3pch s ALA 172 N 2.62 3.34 -0.39 9.38 0.00 0.47 -4.79 121.76 132.39 3pch s ALA 172 Ca 0.24 0.88 -0.19 0.00 0.00 0.00 0.00 51.96 52.89 3pch s ALA 172 Cb -0.15 -3.33 0.01 0.00 0.00 0.00 0.00 23.12 19.66 3pch s ALA 172 CO 0.13 -0.21 0.53 0.15 0.00 0.00 0.00 175.76 176.37 3pch s LYS 173 N -1.68 3.42 0.28 0.00 1.02 -0.47 -0.91 119.74 121.40 3pch s LYS 173 Ca 0.48 -0.34 -0.30 0.00 0.02 0.00 0.00 55.97 55.82 3pch s LYS 173 Cb -0.30 -3.88 -0.11 0.00 -0.52 0.00 0.00 37.83 33.02 3pch s LYS 173 CO 0.39 -0.78 1.54 0.50 -0.92 0.00 0.00 175.35 176.08 3pch s ARG 174 N 2.45 4.17 0.11 1.68 3.52 -1.26 -0.82 118.95 128.80 3pch s ARG 174 Ca 0.18 2.48 -0.00 0.00 -0.13 0.00 0.00 55.73 58.26 3pch s ARG 174 Cb -0.15 -3.05 0.00 0.00 -1.56 0.00 0.00 34.95 30.18 3pch s ARG 174 CO 0.15 -0.55 0.15 0.00 -0.81 0.00 0.00 175.30 174.23 3pch s GLU 176 N -2.29 0.60 -0.16 0.00 2.56 -1.25 -1.20 118.70 116.97 3pch s GLU 176 Ca 0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 54.97 54.82 3pch s GLU 176 Cb -0.00 -0.59 0.05 0.00 2.00 0.00 0.00 34.13 35.59 3pch s GLU 176 CO 0.07 0.12 0.02 0.08 -0.56 0.00 0.00 175.26 174.99 3pch s VAL 177 N -0.01 0.49 -1.27 3.70 1.01 0.43 -4.75 120.40 120.00 3pch s VAL 177 Ca 0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 3pch s VAL 177 Cb -0.04 -0.88 0.01 0.00 0.00 0.00 0.00 36.38 35.46 3pch s VAL 177 CO -0.00 -0.05 0.91 0.47 0.00 0.00 0.00 175.10 176.43 3pch n ASP 178 N 5.08 -2.31 -2.75 3.32 8.00 -1.26 -0.16 116.55 126.47 3pch n ASP 178 Ca -0.08 -0.69 -0.16 0.00 0.71 0.00 0.00 54.79 54.56 3pch n ASP 178 Cb 0.48 -4.68 -0.00 0.00 -0.02 0.00 0.00 41.12 36.90 3pch n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3pch n GLY 179 N -1.40 -0.50 3.49 0.44 0.00 -1.26 -4.93 105.19 101.02 3pch n GLY 179 Ca -0.25 0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 3pch n GLY 179 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3pch s LYS 180 N -5.37 2.28 -0.03 1.61 2.47 0.77 -5.08 119.74 116.40 3pch s LYS 180 Ca 0.14 -0.86 -0.30 0.00 -1.56 0.00 0.00 55.97 53.39 3pch s LYS 180 Cb -0.07 -2.29 -0.05 0.00 -1.46 0.00 0.00 37.83 33.96 3pch s LYS 180 CO 0.17 0.57 1.38 0.99 0.16 0.00 0.00 175.35 178.63 3pch s THR 181 N -0.89 3.82 0.15 3.43 2.01 -1.26 0.16 115.64 123.07 3pch s THR 181 Ca 0.14 1.17 0.03 0.00 0.31 0.00 0.00 61.69 63.34 3pch s THR 181 Cb -0.11 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 3pch s THR 181 CO 0.04 -0.02 -0.06 0.00 -0.69 0.00 0.00 174.62 173.90 3pch s ALA 182 N 2.62 1.33 -0.06 7.40 0.00 -0.34 -1.34 121.76 131.36 3pch s ALA 182 Ca 0.63 -1.50 -0.02 0.00 0.00 0.00 0.00 51.96 51.06 3pch s ALA 182 Cb -0.30 0.24 0.04 0.00 0.00 0.00 0.00 23.12 23.11 3pch s ALA 182 CO 0.25 -0.20 0.12 0.71 0.00 0.00 0.00 175.76 176.64 3pch s TYR 183 N -3.50 -0.12 -0.20 0.00 1.51 -0.59 0.49 117.35 114.94 3pch s TYR 183 Ca 0.18 0.43 -0.13 0.00 -1.01 0.00 0.00 57.07 56.54 3pch s TYR 183 Cb 0.04 -0.16 -0.05 0.00 -0.11 0.00 0.00 41.96 41.68 3pch s TYR 183 CO 0.01 -0.17 0.25 0.50 -1.11 0.00 0.00 175.55 175.02 3pch s ARG 184 N 1.40 4.18 -0.35 -0.62 3.52 -0.00 -1.95 118.95 125.13 3pch s ARG 184 Ca -0.06 -0.03 -0.01 0.00 -0.13 0.00 0.00 55.73 55.50 3pch s ARG 184 Cb -0.12 -3.48 0.12 0.00 -1.56 0.00 0.00 34.95 29.92 3pch s ARG 184 CO -0.05 0.15 0.17 0.12 -0.81 0.00 0.00 175.30 174.88 3pch s PHE 185 N 0.77 1.17 0.07 5.12 5.36 0.48 -1.37 117.98 129.57 3pch s PHE 185 Ca 0.13 -1.68 -0.23 0.00 -0.96 0.00 0.00 56.93 54.19 3pch s PHE 185 Cb -0.13 -1.33 -0.06 0.00 -0.34 0.00 0.00 43.02 41.16 3pch s PHE 185 CO 0.04 -0.83 0.70 -0.51 -1.46 0.00 0.00 175.22 173.16 3pch s ASP 186 N 1.26 7.19 -0.14 6.13 1.01 -1.26 -4.06 116.67 126.80 3pch s ASP 186 Ca 0.14 1.41 -0.03 0.00 0.71 0.00 0.00 52.55 54.78 3pch s ASP 186 Cb -0.20 -2.44 -0.03 0.00 1.01 0.00 0.00 42.92 41.26 3pch s ASP 186 CO -0.14 0.13 -0.03 -0.63 0.21 0.00 0.00 175.17 174.71 3pch s ILE 187 N -0.54 3.96 -0.33 0.77 1.01 0.22 -4.95 121.20 121.34 3pch s ILE 187 Ca 0.35 -0.34 0.03 0.00 0.00 0.00 0.00 60.65 60.69 3pch s ILE 187 Cb -0.21 -2.72 0.10 0.00 0.01 0.00 0.00 42.46 39.64 3pch s ILE 187 CO 0.22 0.51 0.04 -0.13 0.00 0.00 0.00 174.94 175.58 3pch s ARG 188 N 0.17 1.50 0.44 2.79 0.52 -1.26 0.22 118.95 123.32 3pch s ARG 188 Ca -0.01 -1.75 0.11 0.00 -0.52 0.00 0.00 55.73 53.56 3pch s ARG 188 Cb -0.14 -3.07 0.98 0.00 0.52 0.00 0.00 34.95 33.24 3pch s ARG 188 CO 0.03 -0.90 2.05 0.82 0.02 0.00 0.00 175.30 177.31 3pch h ILE 189 N 6.62 1.09 -2.48 1.52 2.04 -1.36 0.21 117.51 125.15 3pch h ILE 189 Ca -0.06 -0.31 -0.09 0.00 1.00 0.00 0.00 64.86 65.40 3pch h ILE 189 Cb 1.02 0.89 -0.20 0.00 -0.74 0.00 0.00 36.82 37.80 3pch h ILE 189 CO 0.51 0.11 -0.03 -1.58 0.00 0.00 0.00 178.15 177.16 3pch s GLN 190 N -5.11 0.86 1.12 2.37 0.74 -1.26 -4.79 119.66 113.59 3pch s GLN 190 Ca -0.06 0.10 0.00 0.00 0.05 0.00 0.00 55.36 55.45 3pch s GLN 190 Cb 0.17 0.40 0.00 0.00 1.10 0.00 0.00 33.01 34.67 3pch s GLN 190 CO 0.71 -0.25 0.00 0.41 -0.55 0.00 0.00 175.29 175.61 3pch n GLY 191 N 1.22 -1.09 3.68 2.59 0.00 -1.26 -4.17 105.19 106.17 3pch n GLY 191 Ca -0.20 -1.61 -0.46 0.00 0.00 0.00 0.00 46.02 43.76 3pch n GLY 191 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3pch n GLU 192 N 0.00 2.30 -1.81 1.61 2.13 -1.26 -0.62 120.64 122.99 3pch n GLU 192 Ca 0.00 0.83 -0.08 0.00 0.66 0.00 0.00 57.16 58.57 3pch n GLU 192 Cb 0.00 -2.64 -0.02 0.00 0.27 0.00 0.00 31.44 29.05 3pch n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3pch n GLY 193 N 3.77 0.41 3.68 8.31 0.00 -1.26 -4.94 105.19 115.16 3pch n GLY 193 Ca 0.18 -0.58 -0.45 0.00 0.00 0.00 0.00 46.02 45.17 3pch n GLY 193 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3pch n GLU 194 N -2.18 2.48 -2.04 1.61 2.13 0.21 -4.58 120.64 118.26 3pch n GLU 194 Ca -0.09 0.90 -0.41 0.00 0.66 0.00 0.00 57.16 58.22 3pch n GLU 194 Cb 0.46 -2.76 -0.02 0.00 0.27 0.00 0.00 31.44 29.39 3pch n GLU 194 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3pch s THR 195 N 2.92 2.61 0.19 6.31 2.01 0.74 -4.95 115.64 125.46 3pch s THR 195 Ca 0.85 0.58 -0.31 0.00 0.31 0.00 0.00 61.69 63.13 3pch s THR 195 Cb -0.58 -3.37 -0.09 0.00 0.01 0.00 0.00 72.50 68.47 3pch s THR 195 CO 0.42 0.12 1.41 -0.69 -0.69 0.00 0.00 174.62 175.19 3pch s VAL 196 N -0.78 2.98 0.03 3.82 1.01 -1.26 -4.93 120.40 121.28 3pch s VAL 196 Ca 0.53 0.77 0.08 0.00 0.00 0.00 0.00 61.98 63.35 3pch s VAL 196 Cb -0.41 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 3pch s VAL 196 CO 0.51 0.09 -0.23 -0.36 0.00 0.00 0.00 175.10 175.12 3pch s PHE 197 N 0.50 2.02 0.28 5.22 0.08 -1.26 -4.70 117.98 120.11 3pch s PHE 197 Ca 0.62 -0.39 0.08 0.00 0.12 0.00 0.00 56.93 57.36 3pch s PHE 197 Cb -0.39 -1.22 -0.04 0.00 -0.57 0.00 0.00 43.02 40.80 3pch s PHE 197 CO 0.36 0.08 0.17 -0.06 -0.10 0.00 0.00 175.22 175.67 3pch s PHE 198 N -0.75 2.95 -0.05 0.36 0.08 0.83 -5.00 117.98 116.41 3pch s PHE 198 Ca 0.09 -0.19 0.03 0.00 0.12 0.00 0.00 56.93 56.98 3pch s PHE 198 Cb -0.09 -1.45 0.00 0.00 -0.57 0.00 0.00 43.02 40.92 3pch s PHE 198 CO 0.01 0.47 -0.14 0.34 -0.10 0.00 0.00 175.22 175.80 3pch s ASP 199 N -3.83 1.84 0.00 1.36 2.15 -1.26 -4.31 116.67 112.61 3pch s ASP 199 Ca 0.34 -0.30 0.00 0.00 0.43 0.00 0.00 52.55 53.02 3pch s ASP 199 Cb -0.07 -0.61 0.00 0.00 -0.30 0.00 0.00 42.92 41.94 3pch s ASP 199 CO 0.24 0.10 0.00 2.22 -0.17 0.00 0.00 175.17 177.56