#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 5.02 -0.08 4.25 -1.09 -1.26 -5.05 121.20 122.99 3pch s ILE 2 Ca 0.00 1.31 0.04 0.00 -2.23 0.00 0.00 60.65 59.77 3pch s ILE 2 Cb 0.00 -3.97 0.00 0.00 -1.58 0.00 0.00 42.46 36.91 3pch s ILE 2 CO 0.00 0.31 -0.22 -1.61 -1.23 0.00 0.00 174.94 172.20 3pch s GLU 3 N 0.47 2.68 0.64 2.79 0.41 -1.26 -5.14 118.70 119.29 3pch s GLU 3 Ca 0.34 -0.79 -0.03 0.00 -0.41 0.00 0.00 54.97 54.07 3pch s GLU 3 Cb -0.17 -2.09 0.13 0.00 -1.78 0.00 0.00 34.13 30.22 3pch s GLU 3 CO 0.17 0.19 0.88 1.28 -0.49 0.00 0.00 175.26 177.28 3pch n LEU 4 N 3.46 0.00 -4.77 1.80 4.32 -1.26 -5.04 117.00 115.51 3pch n LEU 4 Ca -0.19 -1.60 -0.39 0.00 -0.02 0.00 0.00 56.01 53.80 3pch n LEU 4 Cb 0.53 -0.60 -0.01 0.00 -1.62 0.00 0.00 43.42 41.72 3pch n LEU 4 CO 0.27 -0.98 0.93 -0.76 -1.22 0.00 0.00 177.39 175.63 3pch s LEU 5 N 0.00 4.19 0.39 2.23 1.43 -1.26 -4.96 118.68 120.70 3pch s LEU 5 Ca 0.56 2.58 -0.24 0.00 -1.03 0.00 0.00 54.13 56.00 3pch s LEU 5 Cb -0.03 -3.95 -0.09 0.00 0.03 0.00 0.00 46.19 42.15 3pch s LEU 5 CO 0.38 -0.83 1.03 -2.16 0.23 0.00 0.00 176.35 174.99 3pch s PRO 6 N -2.28 4.23 0.48 1.29 0.04 -1.26 -5.00 135.00 132.50 3pch s PRO 6 Ca 0.57 1.48 -0.21 0.00 0.04 0.00 0.00 61.00 62.88 3pch s PRO 6 Cb -0.36 -2.57 -0.08 0.00 0.04 0.00 0.00 34.50 31.53 3pch s PRO 6 CO 0.46 -0.07 1.09 -2.00 0.04 0.00 0.00 177.00 176.52 3pch s GLU 7 N -2.44 3.72 0.20 4.56 2.12 -1.26 -4.95 118.70 120.65 3pch s GLU 7 Ca 0.57 1.54 -0.32 0.00 0.36 0.00 0.00 54.97 57.12 3pch s GLU 7 Cb -0.21 -2.21 -0.12 0.00 0.26 0.00 0.00 34.13 31.85 3pch s GLU 7 CO 0.27 -0.53 1.71 2.41 -0.54 0.00 0.00 175.26 178.58 3pch n THR 8 N -0.82 0.00 -2.16 -1.70 -1.04 -1.26 -4.91 114.28 102.39 3pch n THR 8 Ca 0.09 -0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.71 3pch n THR 8 Cb 0.51 -1.93 -0.01 0.00 -1.82 0.00 0.00 70.33 67.07 3pch n THR 8 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3pch s PRO 9 N 1.14 4.02 0.76 -2.82 0.05 -1.26 -5.02 135.00 131.87 3pch s PRO 9 Ca 0.75 2.02 -0.11 0.00 0.05 0.00 0.00 61.00 63.71 3pch s PRO 9 Cb -0.53 -2.74 0.05 0.00 0.05 0.00 0.00 34.50 31.33 3pch s PRO 9 CO 0.33 -0.40 1.08 0.45 0.05 0.00 0.00 177.00 178.50 3pch s SER 10 N -0.90 4.76 -0.05 6.66 0.15 -1.26 -5.08 113.70 117.97 3pch s SER 10 Ca 0.57 1.58 -0.10 0.00 0.70 0.00 0.00 55.95 58.69 3pch s SER 10 Cb -0.35 -2.36 0.02 0.00 -1.71 0.00 0.00 66.02 61.62 3pch s SER 10 CO 0.44 -1.84 0.25 -1.10 1.20 0.00 0.00 173.24 172.20 3pch s GLN 11 N -5.03 0.45 0.63 5.44 -1.52 -1.13 -4.90 119.66 113.61 3pch s GLN 11 Ca 0.60 0.03 -0.17 0.00 -1.95 0.00 0.00 55.36 53.86 3pch s GLN 11 Cb -0.15 0.20 -0.05 0.00 -0.22 0.00 0.00 33.01 32.79 3pch s GLN 11 CO 0.55 -0.10 0.78 -2.37 -0.25 0.00 0.00 175.29 173.91 3pch n THR 12 N 2.11 2.97 0.17 -0.19 5.66 -1.16 -4.79 114.28 119.06 3pch n THR 12 Ca -0.18 -0.47 0.06 0.00 -3.05 0.00 0.00 64.05 60.41 3pch n THR 12 Cb 0.57 -0.95 0.18 0.00 -1.55 0.00 0.00 70.33 68.58 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 0.16 0.82 -0.00 1.79 0.00 -1.73 -3.49 119.26 116.81 3pch h ALA 13 Ca -0.47 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.10 3pch h ALA 13 Cb 1.37 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 3pch h ALA 13 CO 0.48 0.47 -0.00 0.41 0.00 0.00 0.00 179.25 180.61 3pch n GLY 14 N 0.84 -1.69 0.14 0.00 0.00 -1.26 -4.06 105.19 99.16 3pch n GLY 14 Ca 0.01 -1.51 0.13 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.55 1.61 0.13 -1.93 -3.21 132.00 128.05 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 -2.34 1.47 -0.33 1.56 4.01 -1.26 -4.57 117.16 115.70 3pch n TYR 16 Ca 0.02 -0.67 0.24 0.00 -0.16 0.00 0.00 57.90 57.33 3pch n TYR 16 Cb 0.27 -0.30 0.52 0.00 -0.31 0.00 0.00 39.34 39.52 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 3.57 0.50 -0.98 -0.72 3.04 -1.69 0.11 116.25 120.08 3pch h VAL 17 Ca 0.00 -0.12 0.16 0.00 -1.01 0.00 0.00 66.70 65.72 3pch h VAL 17 Cb 1.52 0.11 -0.09 0.00 -2.01 0.00 0.00 31.29 30.82 3pch h VAL 17 CO 0.27 0.07 0.61 0.45 -1.01 0.00 0.00 177.57 177.96 3pch h HIS 18 N 0.36 1.03 -0.47 3.17 3.86 -1.85 0.04 115.15 121.29 3pch h HIS 18 Ca 0.60 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.83 3pch h HIS 18 Cb 1.58 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 29.71 3pch h HIS 18 CO -0.00 0.32 0.25 -0.84 0.86 0.00 0.00 177.93 178.52 3pch h ILE 19 N 0.82 1.15 0.11 2.45 3.07 -1.20 0.22 117.51 124.12 3pch h ILE 19 Ca 0.52 -0.38 -0.33 0.00 1.55 0.00 0.00 64.86 66.22 3pch h ILE 19 Cb 0.74 0.52 -0.02 0.00 -0.27 0.00 0.00 36.82 37.80 3pch h ILE 19 CO -0.30 0.16 -1.76 1.23 -1.05 0.00 0.00 178.15 176.43 3pch h GLY 20 N 0.73 0.27 0.00 0.16 0.00 -1.40 -3.42 103.07 99.41 3pch h GLY 20 Ca 0.17 -0.68 0.00 0.00 0.00 0.00 0.00 47.33 46.82 3pch h GLY 20 CO -0.03 0.60 0.00 1.04 0.00 0.00 0.00 176.54 178.15 3pch n LEU 21 N -3.41 1.03 -2.82 3.11 4.77 -0.11 -4.82 117.00 114.75 3pch n LEU 21 Ca -0.23 -1.03 -0.11 0.00 -0.03 0.00 0.00 56.01 54.61 3pch n LEU 21 Cb 1.05 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 42.21 3pch n LEU 21 CO 0.47 0.26 0.22 0.00 -1.33 0.00 0.00 177.39 177.01 3pch n ALA 22 N -0.07 -0.22 -0.38 -1.18 0.00 0.00 -4.96 120.51 113.71 3pch n ALA 22 Ca 0.00 -1.86 -0.04 0.00 0.00 0.00 0.00 53.44 51.54 3pch n ALA 22 Cb 0.06 -1.11 0.01 0.00 0.00 0.00 0.00 19.45 18.41 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 3.00 -1.60 -0.36 0.00 4.07 -1.64 -0.51 115.31 118.27 3pch h LEU 23 Ca -0.06 0.31 0.08 0.00 0.08 0.00 0.00 57.88 58.29 3pch h LEU 23 Cb 1.07 0.80 -0.08 0.00 1.08 0.00 0.00 40.66 43.53 3pch h LEU 23 CO 0.21 -0.28 -0.17 -0.08 -1.08 0.00 0.00 178.44 177.03 3pch h GLU 24 N -0.01 -0.11 -0.98 1.13 4.81 -1.87 -1.16 114.58 116.39 3pch h GLU 24 Ca 0.30 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.60 3pch h GLU 24 Cb 0.55 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.89 3pch h GLU 24 CO -0.96 -0.07 0.64 0.00 -0.73 0.00 0.00 179.01 177.88 3pch h ALA 25 N 1.15 1.42 0.00 2.92 0.00 -1.44 0.22 119.26 123.53 3pch h ALA 25 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3pch h ALA 25 Cb 0.39 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3pch h ALA 25 CO -0.43 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.25 3pch h ALA 26 N 1.47 1.00 -0.22 0.00 0.00 -0.75 -3.45 119.26 117.30 3pch h ALA 26 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3pch h ALA 26 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3pch h ALA 26 CO -0.16 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.50 3pch n GLY 27 N -0.34 0.69 3.62 0.00 0.00 0.06 -4.98 105.19 104.25 3pch n GLY 27 Ca 0.01 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.86 4.48 0.41 1.61 0.01 -0.51 -5.02 114.94 113.06 3pch s ASN 28 Ca 0.00 -0.60 -0.26 0.00 -0.71 0.00 0.00 52.86 51.29 3pch s ASN 28 Cb 0.00 -0.83 -0.09 0.00 0.41 0.00 0.00 41.25 40.74 3pch s ASN 28 CO 0.00 0.04 1.40 -2.84 -1.51 0.00 0.00 177.10 174.20 3pch s PRO 29 N -3.33 3.90 0.40 -0.60 0.02 -1.26 -3.79 135.00 130.34 3pch s PRO 29 Ca 0.29 2.38 0.05 0.00 0.02 0.00 0.00 61.00 63.73 3pch s PRO 29 Cb -0.07 -2.79 0.00 0.00 0.02 0.00 0.00 34.50 31.66 3pch s PRO 29 CO 0.18 -0.63 0.57 0.95 -0.33 0.00 0.00 177.00 177.75 3pch s THR 30 N -1.19 3.72 0.65 0.99 -4.23 -1.26 -4.82 115.64 109.49 3pch s THR 30 Ca 0.57 -0.83 0.01 0.00 -1.18 0.00 0.00 61.69 60.26 3pch s THR 30 Cb -0.43 -3.31 0.09 0.00 1.34 0.00 0.00 72.50 70.19 3pch s THR 30 CO 0.56 -0.16 0.90 -0.13 -0.54 0.00 0.00 174.62 175.25 3pch s ARG 31 N -4.37 2.02 0.18 3.99 0.52 -1.26 -5.01 118.95 115.02 3pch s ARG 31 Ca 0.49 -1.07 -0.20 0.00 -0.52 0.00 0.00 55.73 54.44 3pch s ARG 31 Cb -0.10 -2.42 0.11 0.00 0.52 0.00 0.00 34.95 33.07 3pch s ARG 31 CO 0.34 -1.15 1.61 -0.44 0.02 0.00 0.00 175.30 175.68 3pch h ASP 32 N -0.26 -0.90 -3.24 0.23 3.32 -2.07 -3.39 116.42 110.11 3pch h ASP 32 Ca -0.37 0.19 -0.65 0.00 0.02 0.00 0.00 57.03 56.21 3pch h ASP 32 Cb 1.28 0.46 -0.34 0.00 0.22 0.00 0.00 39.33 40.95 3pch h ASP 32 CO 0.44 -0.28 -0.86 -1.10 -1.72 0.00 0.00 179.24 175.72 3pch s GLN 33 N -6.08 2.78 0.01 3.56 -0.21 -1.26 -5.12 119.66 113.34 3pch s GLN 33 Ca -0.14 -0.77 0.05 0.00 0.02 0.00 0.00 55.36 54.51 3pch s GLN 33 Cb 0.15 -2.25 -0.01 0.00 1.00 0.00 0.00 33.01 31.90 3pch s GLN 33 CO 0.70 -0.00 -0.14 -1.21 -2.12 0.00 0.00 175.29 172.51 3pch s GLU 34 N 0.80 1.10 -0.45 2.91 0.41 -1.26 -5.11 118.70 117.10 3pch s GLU 34 Ca -0.09 -0.60 -0.24 0.00 -0.41 0.00 0.00 54.97 53.64 3pch s GLU 34 Cb -0.16 -1.08 0.02 0.00 -1.78 0.00 0.00 34.13 31.14 3pch s GLU 34 CO -0.00 0.29 0.84 0.42 -0.49 0.00 0.00 175.26 176.31 3pch s ILE 35 N -0.50 4.59 0.00 -1.63 1.01 -1.26 -5.00 121.20 118.41 3pch s ILE 35 Ca 0.04 0.59 0.00 0.00 0.00 0.00 0.00 60.65 61.29 3pch s ILE 35 Cb -0.06 -4.35 0.00 0.00 0.01 0.00 0.00 42.46 38.06 3pch s ILE 35 CO 0.00 -0.73 0.00 1.87 0.00 0.00 0.00 174.94 176.08 3pch n TRP 36 N 6.85 0.00 0.41 3.97 -0.00 -1.26 -4.56 117.44 122.85 3pch n TRP 36 Ca 0.04 0.00 0.05 0.00 -0.00 0.00 0.00 57.50 57.59 3pch n TRP 36 Cb 0.48 0.00 0.19 0.00 -0.00 0.00 0.00 31.31 31.99 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 2.75 -4.07 5.87 6.94 -0.07 -1.39 115.26 125.28 3pch n ASN 37 Ca 0.00 -2.22 -0.35 0.00 -0.02 0.00 0.00 54.58 51.98 3pch n ASN 37 Cb 0.00 -0.42 -0.09 0.00 -2.36 0.00 0.00 39.78 36.92 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 -1.68 2.85 0.17 -3.83 6.06 -1.26 -0.01 118.95 121.25 3pch s ARG 38 Ca 0.28 -2.95 -0.09 0.00 -2.50 0.00 0.00 55.73 50.47 3pch s ARG 38 Cb 0.18 -3.78 0.05 0.00 0.06 0.00 0.00 34.95 31.45 3pch s ARG 38 CO 0.14 -1.22 1.56 -0.07 -2.50 0.00 0.00 175.30 173.20 3pch h LEU 39 N 6.39 0.96 -8.99 -0.88 4.07 -0.52 -3.45 115.31 112.89 3pch h LEU 39 Ca 0.08 -0.37 -0.69 0.00 0.08 0.00 0.00 57.88 56.98 3pch h LEU 39 Cb 0.87 -0.27 -0.22 0.00 1.08 0.00 0.00 40.66 42.13 3pch h LEU 39 CO 0.77 1.15 -0.77 0.00 -1.08 0.00 0.00 178.44 178.51 3pch s ALA 40 N -4.61 2.72 0.35 1.53 0.00 -1.14 -0.65 121.76 119.96 3pch s ALA 40 Ca -0.11 -1.06 -0.08 0.00 0.00 0.00 0.00 51.96 50.72 3pch s ALA 40 Cb 0.12 -0.93 -0.06 0.00 0.00 0.00 0.00 23.12 22.26 3pch s ALA 40 CO 0.86 0.57 0.67 0.15 0.00 0.00 0.00 175.76 178.02 3pch s LYS 41 N -1.11 3.71 0.38 0.00 1.02 0.17 -4.83 119.74 119.09 3pch s LYS 41 Ca 0.14 0.25 0.16 0.00 0.02 0.00 0.00 55.97 56.54 3pch s LYS 41 Cb -0.11 -2.51 1.05 0.00 -0.52 0.00 0.00 37.83 35.74 3pch s LYS 41 CO 0.04 0.08 1.75 -1.35 -0.92 0.00 0.00 175.35 174.95 3pch h PRO 42 N 1.44 0.43 -0.59 -1.68 0.11 -2.00 0.86 132.00 130.57 3pch h PRO 42 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3pch h PRO 42 Cb 1.19 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3pch h PRO 42 CO 0.65 0.28 0.00 -0.40 -0.21 0.00 0.00 178.00 178.32 3pch n ASP 43 N -4.71 1.27 -4.75 -2.05 5.75 -1.26 -4.87 116.55 105.94 3pch n ASP 43 Ca 0.26 -2.08 -0.39 0.00 -0.01 0.00 0.00 54.79 52.56 3pch n ASP 43 Cb 0.86 -0.34 -0.05 0.00 -1.03 0.00 0.00 41.12 40.55 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 -1.51 3.41 0.67 2.12 0.00 0.29 -5.04 121.76 121.70 3pch s ALA 44 Ca 0.08 0.16 -0.17 0.00 0.00 0.00 0.00 51.96 52.03 3pch s ALA 44 Cb 0.05 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.28 3pch s ALA 44 CO 0.04 0.08 1.24 -1.25 0.00 0.00 0.00 175.76 175.87 3pch s PRO 45 N 0.00 2.49 0.00 0.00 0.04 -1.26 -4.86 135.00 131.41 3pch s PRO 45 Ca 0.35 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.29 3pch s PRO 45 Cb -0.19 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.49 3pch s PRO 45 CO 0.20 -1.60 0.00 0.41 0.04 0.00 0.00 177.00 176.05 3pch n GLY 46 N 0.62 1.01 3.52 0.56 0.00 -1.26 -4.60 105.19 105.04 3pch n GLY 46 Ca 0.14 -2.17 -0.43 0.00 0.00 0.00 0.00 46.02 43.57 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 -1.31 3.32 0.14 1.61 2.12 -1.26 -4.96 118.70 118.35 3pch s GLU 47 Ca 0.00 -0.30 -0.31 0.00 0.36 0.00 0.00 54.97 54.72 3pch s GLU 47 Cb 0.00 -4.06 -0.10 0.00 0.26 0.00 0.00 34.13 30.23 3pch s GLU 47 CO 0.00 -1.49 1.63 -1.01 -0.54 0.00 0.00 175.26 173.85 3pch s HIS 48 N 3.91 2.79 0.08 5.30 3.76 -1.26 -1.39 115.29 128.48 3pch s HIS 48 Ca 0.30 0.46 0.00 0.00 -0.15 0.00 0.00 55.06 55.67 3pch s HIS 48 Cb -0.13 -3.98 -0.04 0.00 1.11 0.00 0.00 32.58 29.54 3pch s HIS 48 CO 0.19 -3.74 -0.04 0.96 -0.85 0.00 0.00 174.74 171.26 3pch s ILE 49 N 1.71 0.39 -0.11 0.60 -4.36 0.63 -4.68 121.20 115.38 3pch s ILE 49 Ca 0.72 -1.87 0.02 0.00 -0.26 0.00 0.00 60.65 59.27 3pch s ILE 49 Cb -0.43 -1.63 -0.01 0.00 1.25 0.00 0.00 42.46 41.63 3pch s ILE 49 CO 0.32 -0.90 -0.18 -0.22 0.24 0.00 0.00 174.94 174.20 3pch s LEU 50 N -2.98 2.43 -0.03 0.37 2.96 -0.49 -2.08 118.68 118.86 3pch s LEU 50 Ca 0.10 -0.43 0.05 0.00 -0.22 0.00 0.00 54.13 53.64 3pch s LEU 50 Cb 0.07 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 45.22 3pch s LEU 50 CO -0.07 0.17 -0.17 -0.76 -1.32 0.00 0.00 176.35 174.20 3pch s LEU 51 N 0.30 2.58 0.01 -0.68 1.43 -0.30 -0.86 118.68 121.16 3pch s LEU 51 Ca -0.14 -0.28 -0.17 0.00 -1.03 0.00 0.00 54.13 52.51 3pch s LEU 51 Cb -0.17 -1.51 0.03 0.00 0.03 0.00 0.00 46.19 44.58 3pch s LEU 51 CO 0.07 0.33 0.38 -1.48 0.23 0.00 0.00 176.35 175.87 3pch s LEU 52 N -0.81 0.57 0.10 1.79 -0.00 -0.77 -0.87 118.68 118.69 3pch s LEU 52 Ca 0.12 0.09 -0.26 0.00 -0.00 0.00 0.00 54.13 54.07 3pch s LEU 52 Cb -0.10 1.55 0.09 0.00 -0.00 0.00 0.00 46.19 47.72 3pch s LEU 52 CO 0.01 -0.55 1.11 -0.83 -0.00 0.00 0.00 176.35 176.08 3pch s GLY 53 N -1.62 -0.19 0.14 -3.48 0.00 -1.03 -1.40 107.32 99.75 3pch s GLY 53 Ca -0.10 0.16 0.08 0.00 0.00 0.00 0.00 44.72 44.87 3pch s GLY 53 CO 0.02 1.15 -0.19 1.20 0.00 0.00 0.00 173.10 175.28 3pch s GLN 54 N -2.64 1.23 -0.14 2.90 -0.21 -1.26 -1.19 119.66 118.35 3pch s GLN 54 Ca 0.17 -1.33 0.01 0.00 0.02 0.00 0.00 55.36 54.24 3pch s GLN 54 Cb 0.00 -1.35 0.00 0.00 1.00 0.00 0.00 33.01 32.66 3pch s GLN 54 CO 0.01 0.29 -0.18 0.08 -2.12 0.00 0.00 175.29 173.37 3pch s VAL 55 N -1.75 2.45 -0.05 1.09 1.01 -1.26 -1.10 120.40 120.80 3pch s VAL 55 Ca 0.13 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.30 3pch s VAL 55 Cb -0.07 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 3pch s VAL 55 CO 0.06 0.53 -0.18 -0.31 0.00 0.00 0.00 175.10 175.20 3pch s TYR 56 N 0.68 2.59 0.77 5.22 2.02 -0.22 0.77 117.35 129.18 3pch s TYR 56 Ca -0.09 -0.29 -0.06 0.00 -0.37 0.00 0.00 57.07 56.27 3pch s TYR 56 Cb -0.16 -1.60 0.13 0.00 -0.40 0.00 0.00 41.96 39.93 3pch s TYR 56 CO 0.02 0.09 1.07 0.16 -1.57 0.00 0.00 175.55 175.31 3pch s ASP 57 N -0.62 4.18 0.66 2.29 1.47 0.56 -0.86 116.67 124.36 3pch s ASP 57 Ca 0.09 0.00 0.42 0.00 1.18 0.00 0.00 52.55 54.24 3pch s ASP 57 Cb -0.11 -0.38 2.28 0.00 -0.34 0.00 0.00 42.92 44.37 3pch s ASP 57 CO 0.00 -1.99 2.31 1.23 0.68 0.00 0.00 175.17 177.40 3pch h GLY 58 N -0.80 0.00 0.01 2.12 0.00 -1.88 -0.75 103.07 101.77 3pch h GLY 58 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 3pch h GLY 58 CO 0.45 0.00 -0.20 0.70 0.00 0.00 0.00 176.54 177.48 3pch n ASN 59 N -3.13 1.19 0.00 0.19 3.02 -1.26 -4.76 115.26 110.50 3pch n ASN 59 Ca -0.03 -1.06 0.00 0.00 -0.03 0.00 0.00 54.58 53.46 3pch n ASN 59 Cb 0.12 0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 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 1.31 0.56 3.86 7.41 0.00 -0.29 -5.05 105.19 112.99 3pch n GLY 60 Ca 0.14 -0.62 -0.37 0.00 0.00 0.00 0.00 46.02 45.17 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 3.65 0.38 1.61 3.76 -1.25 -4.82 115.29 116.61 3pch s HIS 61 Ca 0.00 0.76 -0.28 0.00 -0.15 0.00 0.00 55.06 55.40 3pch s HIS 61 Cb 0.00 -2.12 -0.10 0.00 1.11 0.00 0.00 32.58 31.46 3pch s HIS 61 CO 0.00 0.65 1.45 -0.51 -0.85 0.00 0.00 174.74 175.47 3pch s LEU 62 N -1.32 4.30 -0.65 0.89 1.43 -1.26 -0.32 118.68 121.75 3pch s LEU 62 Ca 0.24 2.97 -0.14 0.00 -1.03 0.00 0.00 54.13 56.16 3pch s LEU 62 Cb -0.14 -3.71 0.17 0.00 0.03 0.00 0.00 46.19 42.53 3pch s LEU 62 CO 0.12 -0.87 0.59 -0.69 0.23 0.00 0.00 176.35 175.73 3pch s VAL 63 N -1.14 5.23 -2.13 -1.59 1.01 0.23 -4.82 120.40 117.18 3pch s VAL 63 Ca 0.53 -1.97 0.30 0.00 0.00 0.00 0.00 61.98 60.85 3pch s VAL 63 Cb -0.45 -4.31 0.80 0.00 0.00 0.00 0.00 36.38 32.42 3pch s VAL 63 CO 0.60 -0.93 2.08 0.54 0.00 0.00 0.00 175.10 177.40 3pch n ARG 64 N 4.64 1.18 -0.08 2.72 1.74 -1.26 -3.64 116.66 121.96 3pch n ARG 64 Ca -0.02 -0.26 0.08 0.00 -0.77 0.00 0.00 57.85 56.88 3pch n ARG 64 Cb 0.43 -1.49 0.12 0.00 -1.02 0.00 0.00 32.46 30.50 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 -0.68 2.38 -4.78 0.55 5.68 -1.26 -4.10 116.55 114.34 3pch n ASP 65 Ca 0.22 -2.84 -0.35 0.00 -0.50 0.00 0.00 54.79 51.32 3pch n ASP 65 Cb 0.17 -0.35 -0.01 0.00 -1.14 0.00 0.00 41.12 39.79 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 -2.40 5.99 -0.09 -1.12 1.04 -1.24 -4.64 113.70 111.24 3pch s SER 66 Ca 0.26 2.06 0.02 0.00 0.48 0.00 0.00 55.95 58.77 3pch s SER 66 Cb 0.22 -2.57 0.02 0.00 0.10 0.00 0.00 66.02 63.79 3pch s SER 66 CO 0.03 -1.03 -0.13 0.12 0.98 0.00 0.00 173.24 173.21 3pch s PHE 67 N -1.87 1.73 -0.01 5.02 5.36 0.40 -2.27 117.98 126.33 3pch s PHE 67 Ca 0.70 -0.76 0.07 0.00 -0.96 0.00 0.00 56.93 55.98 3pch s PHE 67 Cb -0.20 -1.28 -0.02 0.00 -0.34 0.00 0.00 43.02 41.18 3pch s PHE 67 CO 0.24 -0.41 -0.23 -0.51 -1.46 0.00 0.00 175.22 172.85 3pch s LEU 68 N 0.98 2.06 -0.07 6.12 1.02 -0.24 -0.12 118.68 128.42 3pch s LEU 68 Ca -0.08 -0.43 0.04 0.00 0.02 0.00 0.00 54.13 53.69 3pch s LEU 68 Cb -0.15 -1.16 0.00 0.00 0.02 0.00 0.00 46.19 44.90 3pch s LEU 68 CO -0.01 0.27 -0.20 -1.61 0.02 0.00 0.00 176.35 174.82 3pch s GLU 69 N -0.61 2.37 0.13 1.70 2.02 -0.45 -0.81 118.70 123.04 3pch s GLU 69 Ca 0.09 -0.72 0.11 0.00 0.02 0.00 0.00 54.97 54.47 3pch s GLU 69 Cb -0.09 -1.90 -0.04 0.00 0.10 0.00 0.00 34.13 32.20 3pch s GLU 69 CO -0.01 0.20 -0.27 0.14 0.02 0.00 0.00 175.26 175.34 3pch s VAL 70 N 0.26 2.24 -0.07 2.63 -7.23 -0.37 -1.02 120.40 116.84 3pch s VAL 70 Ca -0.12 -1.74 -0.03 0.00 -1.81 0.00 0.00 61.98 58.28 3pch s VAL 70 Cb -0.15 -1.98 0.04 0.00 0.56 0.00 0.00 36.38 34.85 3pch s VAL 70 CO 0.05 0.09 0.13 0.86 -0.31 0.00 0.00 175.10 175.92 3pch s TRP 71 N -1.06 -0.12 0.05 2.82 -0.11 0.05 -2.53 118.94 118.04 3pch s TRP 71 Ca 0.14 0.48 -0.15 0.00 1.22 0.00 0.00 56.10 57.79 3pch s TRP 71 Cb -0.10 -0.22 0.02 0.00 -1.50 0.00 0.00 33.47 31.67 3pch s TRP 71 CO 0.06 -0.21 0.33 1.14 -4.62 0.00 0.00 176.95 173.65 3pch s GLN 72 N 1.75 0.84 0.64 5.86 -2.07 -0.48 0.83 119.66 127.04 3pch s GLN 72 Ca -0.02 -0.50 -0.11 0.00 -1.82 0.00 0.00 55.36 52.91 3pch s GLN 72 Cb -0.12 0.37 -0.02 0.00 -1.09 0.00 0.00 33.01 32.14 3pch s GLN 72 CO -0.05 -0.28 1.04 0.00 -1.32 0.00 0.00 175.29 174.68 3pch s ALA 73 N -2.64 2.99 1.06 2.60 0.00 -1.26 -4.48 121.76 120.03 3pch s ALA 73 Ca -0.04 -0.09 -0.13 0.00 0.00 0.00 0.00 51.96 51.70 3pch s ALA 73 Cb -0.01 -3.09 0.18 0.00 0.00 0.00 0.00 23.12 20.21 3pch s ALA 73 CO -0.04 -0.84 0.93 -0.40 0.00 0.00 0.00 175.76 175.41 3pch n ASP 74 N -2.85 -0.50 0.19 0.00 5.68 0.89 -4.32 116.55 115.64 3pch n ASP 74 Ca 0.06 -1.24 0.14 0.00 -0.50 0.00 0.00 54.79 53.24 3pch n ASP 74 Cb 0.54 -0.75 0.72 0.00 -1.14 0.00 0.00 41.12 40.49 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 -2.06 2.05 -0.24 2.12 0.00 -1.82 0.35 119.26 119.66 3pch h ALA 75 Ca -0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3pch h ALA 75 Cb 0.89 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3pch h ALA 75 CO 0.22 -0.22 0.00 0.09 0.00 0.00 0.00 179.25 179.34 3pch n ASN 76 N -4.29 1.42 -1.85 0.00 3.02 -1.26 -3.41 115.26 108.88 3pch n ASN 76 Ca 0.01 -2.03 -0.13 0.00 -0.03 0.00 0.00 54.58 52.40 3pch n ASN 76 Cb 0.26 -0.20 0.02 0.00 -0.61 0.00 0.00 39.78 39.25 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 0.82 -0.06 3.25 7.41 0.00 -0.09 -4.82 105.19 111.71 3pch n GLY 77 Ca 0.08 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 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 -5.15 2.08 -0.38 1.61 2.02 -1.25 -4.68 118.70 112.94 3pch s GLU 78 Ca 0.16 -0.83 -0.24 0.00 0.02 0.00 0.00 54.97 54.08 3pch s GLU 78 Cb -0.07 -1.91 0.01 0.00 0.10 0.00 0.00 34.13 32.27 3pch s GLU 78 CO 0.20 0.44 0.82 0.71 0.02 0.00 0.00 175.26 177.45 3pch s TYR 79 N -0.37 3.07 -0.92 1.61 2.02 -1.26 -0.07 117.35 121.43 3pch s TYR 79 Ca 0.04 0.52 -0.18 0.00 -0.37 0.00 0.00 57.07 57.08 3pch s TYR 79 Cb -0.11 -3.52 0.15 0.00 -0.40 0.00 0.00 41.96 38.08 3pch s TYR 79 CO 0.01 -0.81 1.07 -0.65 -1.57 0.00 0.00 175.55 173.60 3pch s GLN 80 N 3.24 3.61 0.41 -0.62 -1.52 -1.26 -4.86 119.66 118.65 3pch s GLN 80 Ca 0.33 -1.88 0.24 0.00 -1.95 0.00 0.00 55.36 52.09 3pch s GLN 80 Cb -0.13 -4.84 0.41 0.00 -0.22 0.00 0.00 33.01 28.24 3pch s GLN 80 CO 0.19 -1.69 1.64 0.38 -0.25 0.00 0.00 175.29 175.55 3pch h ASP 81 N 8.65 0.00 -1.90 5.90 2.03 -1.97 -3.26 116.42 125.86 3pch h ASP 81 Ca 0.15 0.00 -0.62 0.00 -0.73 0.00 0.00 57.03 55.84 3pch h ASP 81 Cb 1.03 0.00 -0.12 0.00 -0.83 0.00 0.00 39.33 39.40 3pch h ASP 81 CO 1.05 0.00 1.11 0.00 -1.03 0.00 0.00 179.24 180.37 3pch s ALA 82 N -3.20 2.94 0.04 4.15 0.00 -1.26 -4.96 121.76 119.47 3pch s ALA 82 Ca 0.07 -2.15 -0.30 0.00 0.00 0.00 0.00 51.96 49.57 3pch s ALA 82 Cb 0.06 -4.26 -0.07 0.00 0.00 0.00 0.00 23.12 18.85 3pch s ALA 82 CO 0.66 -3.27 1.50 -0.47 0.00 0.00 0.00 175.76 174.18 3pch s TYR 83 N 4.42 2.73 -0.28 0.00 5.04 -1.26 -4.99 117.35 122.99 3pch s TYR 83 Ca 0.37 0.64 -0.15 0.00 -2.44 0.00 0.00 57.07 55.49 3pch s TYR 83 Cb -0.05 -3.79 0.09 0.00 0.35 0.00 0.00 41.96 38.56 3pch s TYR 83 CO -0.02 -3.01 0.69 1.21 -1.34 0.00 0.00 175.55 173.08 3pch s ASN 84 N 1.99 -0.98 0.58 4.32 3.84 -1.26 -5.03 114.94 118.40 3pch s ASN 84 Ca 0.68 1.52 0.32 0.00 0.21 0.00 0.00 52.86 55.59 3pch s ASN 84 Cb -0.35 1.56 1.79 0.00 -0.55 0.00 0.00 41.25 43.70 3pch s ASN 84 CO 0.29 -0.23 2.20 -0.07 -2.79 0.00 0.00 177.10 176.50 3pch h LEU 85 N 7.18 0.00 -0.44 3.21 3.38 -1.97 -1.33 115.31 125.33 3pch h LEU 85 Ca -0.28 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.60 3pch h LEU 85 Cb 1.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 3pch h LEU 85 CO 0.15 0.04 -0.43 -0.33 0.09 0.00 0.00 178.44 177.96 3pch h GLU 86 N 0.00 0.00 -7.02 1.13 5.08 -2.00 -3.46 114.58 108.31 3pch h GLU 86 Ca -0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 3pch h GLU 86 Cb 0.15 0.00 0.16 0.00 0.50 0.00 0.00 28.75 29.55 3pch h GLU 86 CO 0.01 0.43 0.44 0.09 -1.00 0.00 0.00 179.01 178.98 3pch n ASN 87 N -3.34 1.92 0.17 1.42 3.02 -0.50 -4.91 115.26 113.04 3pch n ASN 87 Ca 0.01 0.86 0.06 0.00 -0.03 0.00 0.00 54.58 55.48 3pch n ASN 87 Cb 0.63 -1.52 0.14 0.00 -0.61 0.00 0.00 39.78 38.42 3pch n ASN 87 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3pch h ALA 88 N 0.74 0.81 -3.07 5.41 0.00 -1.89 -3.44 119.26 117.81 3pch h ALA 88 Ca -0.50 -0.31 -0.18 0.00 0.00 0.00 0.00 54.91 53.91 3pch h ALA 88 Cb 1.34 -0.06 -0.28 0.00 0.00 0.00 0.00 17.79 18.79 3pch h ALA 88 CO 0.53 0.43 -0.46 0.12 0.00 0.00 0.00 179.25 179.88 3pch s PHE 89 N -3.15 -0.31 -0.07 0.00 5.36 -1.26 0.46 117.98 119.02 3pch s PHE 89 Ca 0.04 0.73 0.05 0.00 -0.96 0.00 0.00 56.93 56.79 3pch s PHE 89 Cb 0.08 0.07 -0.00 0.00 -0.34 0.00 0.00 43.02 42.82 3pch s PHE 89 CO 0.71 -0.19 -0.22 -0.80 -1.46 0.00 0.00 175.22 173.26 3pch s ASN 90 N 0.75 2.77 0.44 6.13 0.01 0.18 -4.95 114.94 120.27 3pch s ASN 90 Ca -0.05 -0.48 0.24 0.00 -0.71 0.00 0.00 52.86 51.86 3pch s ASN 90 Cb -0.06 -0.99 0.94 0.00 0.41 0.00 0.00 41.25 41.54 3pch s ASN 90 CO -0.05 0.18 1.83 0.28 -1.51 0.00 0.00 177.10 177.83 3pch h SER 91 N 6.42 0.00 -3.42 -1.22 0.02 -1.78 -3.44 113.55 110.13 3pch h SER 91 Ca -0.27 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.00 3pch h SER 91 Cb 1.20 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.59 3pch h SER 91 CO 0.47 0.22 -0.65 0.12 -1.14 0.00 0.00 176.83 175.86 3pch s PHE 92 N -3.67 3.07 0.22 3.45 5.36 -1.26 -1.39 117.98 123.76 3pch s PHE 92 Ca 0.00 0.10 -0.15 0.00 -0.96 0.00 0.00 56.93 55.92 3pch s PHE 92 Cb 0.10 -1.71 0.01 0.00 -0.34 0.00 0.00 43.02 41.08 3pch s PHE 92 CO 0.63 0.44 0.50 0.20 -1.46 0.00 0.00 175.22 175.54 3pch s GLY 93 N -1.19 0.20 0.02 13.12 0.00 -1.05 -4.83 107.32 113.59 3pch s GLY 93 Ca 0.16 -0.55 0.02 0.00 0.00 0.00 0.00 44.72 44.35 3pch s GLY 93 CO 0.06 -0.44 -0.07 0.50 0.00 0.00 0.00 173.10 173.15 3pch s ARG 94 N -3.94 0.53 0.22 2.90 0.52 -0.49 -1.23 118.95 117.47 3pch s ARG 94 Ca 0.15 -0.47 -0.13 0.00 -0.52 0.00 0.00 55.73 54.77 3pch s ARG 94 Cb -0.01 -0.44 -0.00 0.00 0.52 0.00 0.00 34.95 35.02 3pch s ARG 94 CO 0.03 0.11 0.44 -0.08 0.02 0.00 0.00 175.30 175.82 3pch s THR 95 N -0.67 0.02 0.09 0.02 -1.32 0.01 -0.89 115.64 112.89 3pch s THR 95 Ca -0.02 -1.32 -0.16 0.00 -1.21 0.00 0.00 61.69 58.97 3pch s THR 95 Cb -0.06 -2.04 0.03 0.00 -1.51 0.00 0.00 72.50 68.92 3pch s THR 95 CO 0.00 -0.08 0.38 0.00 -2.21 0.00 0.00 174.62 172.72 3pch s ALA 96 N -3.99 -0.89 0.13 11.08 0.00 -1.26 -1.08 121.76 125.75 3pch s ALA 96 Ca 0.20 0.05 -0.24 0.00 0.00 0.00 0.00 51.96 51.97 3pch s ALA 96 Cb 0.00 0.52 -0.08 0.00 0.00 0.00 0.00 23.12 23.57 3pch s ALA 96 CO 0.06 -0.55 0.71 0.95 0.00 0.00 0.00 175.76 176.93 3pch s THR 97 N -3.21 4.49 0.28 0.00 -4.23 -0.96 -4.15 115.64 107.86 3pch s THR 97 Ca -0.01 1.56 -0.29 0.00 -1.18 0.00 0.00 61.69 61.77 3pch s THR 97 Cb 0.01 -4.07 -0.10 0.00 1.34 0.00 0.00 72.50 69.69 3pch s THR 97 CO -0.08 0.53 1.25 0.42 -0.54 0.00 0.00 174.62 176.20 3pch s THR 98 N -1.10 3.07 0.43 3.99 -4.23 -1.15 -4.68 115.64 111.96 3pch s THR 98 Ca 0.34 1.02 0.29 0.00 -1.18 0.00 0.00 61.69 62.15 3pch s THR 98 Cb -0.22 -3.65 0.31 0.00 1.34 0.00 0.00 72.50 70.28 3pch s THR 98 CO 0.24 0.22 2.10 -0.26 -0.54 0.00 0.00 174.62 176.38 3pch h PHE 99 N 4.04 0.00 0.00 3.99 0.04 -1.95 0.23 116.94 123.30 3pch h PHE 99 Ca -0.47 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.30 3pch h PHE 99 Cb 1.22 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.37 3pch h PHE 99 CO 0.58 0.10 0.00 -0.40 -0.60 0.00 0.00 178.31 177.99 3pch n ASP 100 N -3.61 0.00 0.03 2.17 5.75 -1.26 -4.63 116.55 115.00 3pch n ASP 100 Ca -0.02 0.00 0.07 0.00 -0.01 0.00 0.00 54.79 54.83 3pch n ASP 100 Cb 0.22 0.00 0.48 0.00 -1.03 0.00 0.00 41.12 40.79 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 1.84 -1.47 2.12 0.00 -1.99 -3.47 119.26 114.29 3pch h ALA 101 Ca 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3pch h ALA 101 Cb 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.69 3pch h ALA 101 CO 0.00 0.12 -0.15 0.41 0.00 0.00 0.00 179.25 179.62 3pch n GLY 102 N -1.50 0.36 3.31 0.00 0.00 0.81 -4.94 105.19 103.23 3pch n GLY 102 Ca 0.04 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 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 -4.78 2.71 0.19 1.61 2.12 -1.26 -4.32 118.70 114.96 3pch s GLU 103 Ca 0.07 -0.84 0.05 0.00 0.36 0.00 0.00 54.97 54.61 3pch s GLU 103 Cb -0.03 -2.27 -0.04 0.00 0.26 0.00 0.00 34.13 32.05 3pch s GLU 103 CO 0.09 0.37 0.22 1.67 -0.54 0.00 0.00 175.26 177.08 3pch s TRP 104 N -0.13 3.28 0.04 5.30 1.48 -0.33 -2.94 118.94 125.64 3pch s TRP 104 Ca -0.04 0.00 -0.02 0.00 -1.06 0.00 0.00 56.10 54.99 3pch s TRP 104 Cb -0.14 -1.55 -0.02 0.00 -1.16 0.00 0.00 33.47 30.60 3pch s TRP 104 CO 0.04 0.51 0.00 0.95 -4.06 0.00 0.00 176.95 174.39 3pch s THR 105 N -1.85 0.16 -0.09 0.66 -4.23 -1.26 -2.47 115.64 106.56 3pch s THR 105 Ca 0.33 -1.29 -0.08 0.00 -1.18 0.00 0.00 61.69 59.46 3pch s THR 105 Cb -0.10 -0.90 0.02 0.00 1.34 0.00 0.00 72.50 72.86 3pch s THR 105 CO 0.26 -0.71 0.24 -0.22 -0.54 0.00 0.00 174.62 173.64 3pch s LEU 106 N -2.18 1.10 -0.26 4.79 2.96 -0.04 -4.79 118.68 120.24 3pch s LEU 106 Ca -0.04 0.46 -0.02 0.00 -0.22 0.00 0.00 54.13 54.30 3pch s LEU 106 Cb -0.01 0.82 0.02 0.00 0.50 0.00 0.00 46.19 47.53 3pch s LEU 106 CO -0.05 -0.10 -0.04 -1.00 -1.32 0.00 0.00 176.35 173.84 3pch s HIS 107 N 0.06 3.09 0.00 5.38 3.76 0.99 -1.15 115.29 127.41 3pch s HIS 107 Ca -0.01 -1.50 0.00 0.00 -0.15 0.00 0.00 55.06 53.41 3pch s HIS 107 Cb -0.02 -2.09 0.00 0.00 1.11 0.00 0.00 32.58 31.58 3pch s HIS 107 CO 0.00 -0.71 0.00 -2.37 -0.85 0.00 0.00 174.74 170.81 3pch n THR 108 N 4.69 0.00 -4.38 1.30 5.66 -0.88 0.22 114.28 120.89 3pch n THR 108 Ca -0.16 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.58 3pch n THR 108 Cb 0.47 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.13 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 -2.53 2.14 0.07 1.08 -7.23 -1.26 -0.27 120.40 112.39 3pch s VAL 109 Ca 0.00 -1.83 -0.31 0.00 -1.81 0.00 0.00 61.98 58.03 3pch s VAL 109 Cb 0.00 -1.94 -0.08 0.00 0.56 0.00 0.00 36.38 34.92 3pch s VAL 109 CO 0.00 -0.06 1.54 -0.75 -0.31 0.00 0.00 175.10 175.52 3pch s LYS 110 N -2.33 4.24 0.60 4.82 2.20 -0.48 -4.89 119.74 123.89 3pch s LYS 110 Ca 0.15 2.20 -0.17 0.00 -0.36 0.00 0.00 55.97 57.78 3pch s LYS 110 Cb -0.09 -3.50 -0.03 0.00 -1.51 0.00 0.00 37.83 32.71 3pch s LYS 110 CO 0.07 -0.64 1.12 -1.25 -0.36 0.00 0.00 175.35 174.30 3pch s PRO 111 N 2.21 3.09 0.75 4.03 0.04 -1.26 -4.16 135.00 139.69 3pch s PRO 111 Ca 0.69 1.52 -0.10 0.00 0.04 0.00 0.00 61.00 63.15 3pch s PRO 111 Cb -0.37 -1.98 0.07 0.00 0.04 0.00 0.00 34.50 32.25 3pch s PRO 111 CO 0.30 -1.04 1.10 0.20 0.04 0.00 0.00 177.00 177.60 3pch s GLY 112 N -2.14 1.63 0.26 0.56 0.00 0.10 -4.73 107.32 103.00 3pch s GLY 112 Ca 0.70 -0.75 -0.30 0.00 0.00 0.00 0.00 44.72 44.38 3pch s GLY 112 CO 0.34 -0.30 1.06 0.14 0.00 0.00 0.00 173.10 174.34 3pch s VAL 113 N -3.41 3.65 0.08 1.40 1.01 -1.26 -4.33 120.40 117.54 3pch s VAL 113 Ca 0.61 1.64 0.04 0.00 0.00 0.00 0.00 61.98 64.27 3pch s VAL 113 Cb -0.11 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 3pch s VAL 113 CO 0.47 0.38 -0.12 0.68 0.00 0.00 0.00 175.10 176.51 3pch s VAL 114 N -1.07 1.01 0.16 2.92 -7.23 -1.26 -4.43 120.40 110.50 3pch s VAL 114 Ca 0.44 -1.41 -0.01 0.00 -1.81 0.00 0.00 61.98 59.20 3pch s VAL 114 Cb -0.30 -1.13 -0.04 0.00 0.56 0.00 0.00 36.38 35.46 3pch s VAL 114 CO 0.38 -0.36 0.34 0.20 -0.31 0.00 0.00 175.10 175.36 3pch s ASN 115 N -1.98 6.39 1.01 4.85 0.01 -1.26 0.29 114.94 124.25 3pch s ASN 115 Ca -0.00 0.38 -0.17 0.00 -0.71 0.00 0.00 52.86 52.36 3pch s ASN 115 Cb -0.08 -2.00 0.22 0.00 0.41 0.00 0.00 41.25 39.80 3pch s ASN 115 CO 0.01 0.02 1.30 0.54 -1.51 0.00 0.00 177.10 177.47 3pch s ASN 116 N -2.93 2.70 0.34 -1.22 4.22 0.41 -4.86 114.94 113.60 3pch s ASN 116 Ca 0.38 0.28 0.04 0.00 -2.14 0.00 0.00 52.86 51.42 3pch s ASN 116 Cb -0.12 -0.32 0.67 0.00 1.28 0.00 0.00 41.25 42.77 3pch s ASN 116 CO 0.28 -2.99 1.93 0.00 -2.04 0.00 0.00 177.10 174.28 3pch h ALA 117 N -1.82 1.64 -0.04 3.54 0.00 -1.99 -0.77 119.26 119.82 3pch h ALA 117 Ca -0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3pch h ALA 117 Cb 1.24 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3pch h ALA 117 CO 0.35 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.83 3pch n ALA 118 N -2.43 2.54 -1.00 0.00 0.00 -1.26 -4.88 120.51 113.48 3pch n ALA 118 Ca 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3pch n ALA 118 Cb 0.24 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 0.32 0.37 3.77 0.00 0.00 -0.29 -5.03 105.19 104.32 3pch n GLY 119 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.76 4.91 0.30 1.61 1.01 -1.26 -4.72 120.40 120.50 3pch s VAL 120 Ca 0.00 1.21 -0.29 0.00 0.00 0.00 0.00 61.98 62.90 3pch s VAL 120 Cb 0.00 -3.91 -0.10 0.00 0.00 0.00 0.00 36.38 32.37 3pch s VAL 120 CO 0.00 0.44 1.24 -2.16 0.00 0.00 0.00 175.10 174.61 3pch s PRO 121 N -0.29 4.45 0.05 2.72 0.04 -1.26 0.15 135.00 140.87 3pch s PRO 121 Ca 0.30 2.07 -0.01 0.00 0.04 0.00 0.00 61.00 63.40 3pch s PRO 121 Cb -0.18 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 3pch s PRO 121 CO 0.17 -0.06 0.21 -1.64 0.04 0.00 0.00 177.00 175.72 3pch s MET 122 N -1.52 3.45 0.64 4.56 -1.94 0.14 -4.42 119.30 120.21 3pch s MET 122 Ca 0.48 -0.40 -0.17 0.00 -1.71 0.00 0.00 55.69 53.90 3pch s MET 122 Cb -0.37 -3.04 -0.01 0.00 2.01 0.00 0.00 34.83 33.42 3pch s MET 122 CO 0.48 0.62 1.16 0.00 -0.01 0.00 0.00 175.02 177.27 3pch s ALA 123 N -1.48 2.44 0.22 3.03 0.00 -1.26 -4.03 121.76 120.68 3pch s ALA 123 Ca 0.34 0.79 -0.32 0.00 0.00 0.00 0.00 51.96 52.77 3pch s ALA 123 Cb -0.13 -3.40 -0.14 0.00 0.00 0.00 0.00 23.12 19.46 3pch s ALA 123 CO 0.26 -1.30 1.40 -2.30 0.00 0.00 0.00 175.76 173.81 3pch n PRO 124 N -2.08 1.92 -3.50 0.00 -0.02 -1.26 -4.85 135.00 125.20 3pch n PRO 124 Ca 0.12 0.68 -0.14 0.00 -2.02 0.00 0.00 63.50 62.15 3pch n PRO 124 Cb 0.51 -2.33 -0.04 0.00 -0.02 0.00 0.00 33.50 31.61 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 0.05 -0.51 -0.13 6.00 -3.43 -1.26 -4.28 115.29 111.73 3pch s HIS 125 Ca 0.70 0.52 0.00 0.00 -0.80 0.00 0.00 55.06 55.48 3pch s HIS 125 Cb -0.69 0.45 -0.01 0.00 -1.43 0.00 0.00 32.58 30.90 3pch s HIS 125 CO 0.48 -0.73 -0.14 0.42 -2.00 0.00 0.00 174.74 172.78 3pch s ILE 126 N -2.83 2.96 -0.16 -5.38 1.01 -0.23 -4.58 121.20 112.00 3pch s ILE 126 Ca -0.03 -0.69 -0.23 0.00 0.00 0.00 0.00 60.65 59.70 3pch s ILE 126 Cb -0.00 -2.24 -0.02 0.00 0.01 0.00 0.00 42.46 40.20 3pch s ILE 126 CO -0.05 0.52 0.73 0.20 0.00 0.00 0.00 174.94 176.34 3pch s ASN 127 N 0.41 6.85 -0.03 3.58 0.01 0.24 -0.39 114.94 125.61 3pch s ASN 127 Ca -0.11 1.04 0.07 0.00 -0.71 0.00 0.00 52.86 53.15 3pch s ASN 127 Cb -0.16 -2.40 -0.02 0.00 0.41 0.00 0.00 41.25 39.08 3pch s ASN 127 CO 0.05 -0.30 -0.25 -0.63 -1.51 0.00 0.00 177.10 174.46 3pch s ILE 128 N 1.82 2.01 -0.16 0.60 1.01 0.51 -0.77 121.20 126.22 3pch s ILE 128 Ca 0.34 -1.07 0.01 0.00 0.00 0.00 0.00 60.65 59.93 3pch s ILE 128 Cb -0.16 -1.68 0.01 0.00 0.01 0.00 0.00 42.46 40.63 3pch s ILE 128 CO 0.12 0.56 -0.18 -0.44 0.00 0.00 0.00 174.94 175.01 3pch s SER 129 N -0.41 3.36 -0.12 3.58 0.01 -0.19 -0.93 113.70 118.99 3pch s SER 129 Ca 0.04 -0.56 -0.01 0.00 1.31 0.00 0.00 55.95 56.73 3pch s SER 129 Cb -0.11 -1.51 -0.02 0.00 0.21 0.00 0.00 66.02 64.58 3pch s SER 129 CO 0.01 0.05 -0.09 -0.22 0.41 0.00 0.00 173.24 173.40 3pch s LEU 130 N 1.00 2.98 0.05 2.44 2.96 0.04 -1.35 118.68 126.79 3pch s LEU 130 Ca -0.02 -0.19 0.05 0.00 -0.22 0.00 0.00 54.13 53.74 3pch s LEU 130 Cb -0.15 -1.68 -0.02 0.00 0.50 0.00 0.00 46.19 44.84 3pch s LEU 130 CO -0.05 0.22 -0.13 -0.36 -1.32 0.00 0.00 176.35 174.71 3pch s PHE 131 N 0.02 1.17 0.00 5.38 0.40 0.83 -1.41 117.98 124.37 3pch s PHE 131 Ca -0.02 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 55.93 3pch s PHE 131 Cb -0.14 -0.68 0.00 0.00 0.51 0.00 0.00 43.02 42.71 3pch s PHE 131 CO 0.03 0.03 0.00 0.00 0.70 0.00 0.00 175.22 175.99 3pch n ALA 132 N 1.76 0.00 -1.79 5.36 0.00 -1.26 -0.45 120.51 124.13 3pch n ALA 132 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.84 3pch n ALA 132 Cb 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.98 3pch n ALA 132 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3pch s ARG 133 N -2.00 4.30 0.00 0.00 1.70 -1.25 -1.39 118.95 120.32 3pch s ARG 133 Ca 0.00 2.29 0.00 0.00 -0.47 0.00 0.00 55.73 57.55 3pch s ARG 133 Cb 0.00 -3.06 0.00 0.00 -0.57 0.00 0.00 34.95 31.32 3pch s ARG 133 CO 0.00 -0.28 0.00 0.41 -1.08 0.00 0.00 175.30 174.35 3pch n GLY 134 N 0.94 3.44 3.36 3.88 0.00 -1.26 -4.95 105.19 110.60 3pch n GLY 134 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.84 4.81 0.18 -0.61 1.01 -0.48 -4.97 121.20 118.30 3pch s ILE 135 Ca 0.00 -1.07 -0.09 0.00 0.00 0.00 0.00 60.65 59.49 3pch s ILE 135 Cb 0.00 -3.83 0.07 0.00 0.01 0.00 0.00 42.46 38.70 3pch s ILE 135 CO 0.00 -0.46 1.64 0.78 0.00 0.00 0.00 174.94 176.90 3pch h ASN 136 N 8.57 1.06 -3.49 3.58 2.35 -1.91 -3.31 115.58 122.44 3pch h ASN 136 Ca -0.26 -0.31 -0.32 0.00 -0.55 0.00 0.00 56.30 54.86 3pch h ASN 136 Cb 1.10 -0.29 -0.35 0.00 0.05 0.00 0.00 38.32 38.84 3pch h ASN 136 CO 0.78 1.11 -0.73 -0.51 -1.65 0.00 0.00 177.43 176.43 3pch s ILE 137 N -5.02 -0.01 0.41 2.81 2.07 -1.26 -2.83 121.20 117.37 3pch s ILE 137 Ca -0.12 0.22 -0.24 0.00 -1.41 0.00 0.00 60.65 59.10 3pch s ILE 137 Cb 0.14 -0.13 -0.12 0.00 0.13 0.00 0.00 42.46 42.48 3pch s ILE 137 CO 0.86 0.11 0.77 0.00 -1.91 0.00 0.00 174.94 174.77 3pch n HIS 138 N 4.32 0.30 -3.52 3.50 1.44 -1.26 -4.95 115.22 115.06 3pch n HIS 138 Ca -0.24 0.60 -0.37 0.00 -2.01 0.00 0.00 57.72 55.70 3pch n HIS 138 Cb 0.50 -2.10 -0.07 0.00 0.12 0.00 0.00 29.99 28.44 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 0.72 4.29 -0.13 2.39 1.43 -0.50 -4.90 118.68 121.97 3pch s LEU 139 Ca 0.63 0.61 -0.08 0.00 -1.03 0.00 0.00 54.13 54.27 3pch s LEU 139 Cb -0.60 -2.43 -0.04 0.00 0.03 0.00 0.00 46.19 43.14 3pch s LEU 139 CO 0.57 0.13 0.15 -1.00 0.23 0.00 0.00 176.35 176.44 3pch s HIS 140 N 0.20 3.56 0.28 0.29 3.76 -1.26 -0.78 115.29 121.34 3pch s HIS 140 Ca 0.19 0.51 -0.10 0.00 -0.15 0.00 0.00 55.06 55.51 3pch s HIS 140 Cb -0.14 -2.01 -0.00 0.00 1.11 0.00 0.00 32.58 31.54 3pch s HIS 140 CO 0.06 0.63 0.48 -0.08 -0.85 0.00 0.00 174.74 174.98 3pch s THR 141 N -0.71 0.00 -0.01 1.30 -1.32 -0.11 0.13 115.64 114.92 3pch s THR 141 Ca 0.14 -1.46 0.04 0.00 -1.21 0.00 0.00 61.69 59.20 3pch s THR 141 Cb -0.12 -2.37 -0.01 0.00 -1.51 0.00 0.00 72.50 68.48 3pch s THR 141 CO 0.03 0.00 -0.13 -0.13 -2.21 0.00 0.00 174.62 172.18 3pch s ARG 142 N -3.67 1.07 -0.21 7.08 0.52 -1.26 -0.36 118.95 122.12 3pch s ARG 142 Ca 0.25 -0.47 -0.06 0.00 -0.52 0.00 0.00 55.73 54.93 3pch s ARG 142 Cb -0.01 -1.03 -0.03 0.00 0.52 0.00 0.00 34.95 34.41 3pch s ARG 142 CO 0.12 0.28 0.02 -1.17 0.02 0.00 0.00 175.30 174.58 3pch s LEU 143 N -0.30 3.35 0.33 2.53 0.20 0.47 -4.71 118.68 120.56 3pch s LEU 143 Ca 0.05 -0.18 0.09 0.00 0.69 0.00 0.00 54.13 54.78 3pch s LEU 143 Cb -0.05 -1.86 -0.05 0.00 -0.43 0.00 0.00 46.19 43.80 3pch s LEU 143 CO -0.00 0.05 0.08 -0.31 -0.29 0.00 0.00 176.35 175.88 3pch s TYR 144 N 1.09 2.66 -0.10 5.38 1.51 0.09 -1.07 117.35 126.91 3pch s TYR 144 Ca 0.03 -0.38 0.00 0.00 -1.01 0.00 0.00 57.07 55.71 3pch s TYR 144 Cb -0.14 -1.53 -0.02 0.00 -0.11 0.00 0.00 41.96 40.15 3pch s TYR 144 CO 0.02 0.42 -0.09 -0.06 -1.11 0.00 0.00 175.55 174.73 3pch s PHE 145 N -2.44 2.88 0.23 2.71 0.40 -1.26 0.02 117.98 120.52 3pch s PHE 145 Ca 0.36 -0.25 0.36 0.00 -0.60 0.00 0.00 56.93 56.80 3pch s PHE 145 Cb -0.02 -1.79 1.68 0.00 0.51 0.00 0.00 43.02 43.40 3pch s PHE 145 CO 0.21 0.08 2.08 0.38 0.70 0.00 0.00 175.22 178.68 3pch h ASP 146 N 5.97 0.00 -0.36 1.36 2.03 -1.56 -2.10 116.42 121.75 3pch h ASP 146 Ca -0.38 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.92 3pch h ASP 146 Cb 1.18 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.68 3pch h ASP 146 CO 0.55 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.86 3pch n ASP 147 N -3.00 3.90 -1.94 4.15 5.68 -1.26 -3.78 116.55 120.29 3pch n ASP 147 Ca -0.01 -2.56 -0.07 0.00 -0.50 0.00 0.00 54.79 51.66 3pch n ASP 147 Cb 0.22 -0.61 0.06 0.00 -1.14 0.00 0.00 41.12 39.65 3pch n ASP 147 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3pch n GLU 148 N 0.41 2.15 -0.23 0.11 -0.58 -0.79 -4.87 120.64 116.83 3pch n GLU 148 Ca 0.17 -3.50 -0.05 0.00 -0.42 0.00 0.00 57.16 53.37 3pch n GLU 148 Cb 0.82 -1.62 0.01 0.00 -0.57 0.00 0.00 31.44 30.08 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 1.93 -0.03 -0.09 0.62 0.00 -1.74 0.70 119.26 120.65 3pch h ALA 149 Ca 0.06 0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.18 3pch h ALA 149 Cb 1.41 0.84 -0.03 0.00 0.00 0.00 0.00 17.79 20.01 3pch h ALA 149 CO 0.35 -0.68 -0.08 1.96 0.00 0.00 0.00 179.25 180.80 3pch h GLN 150 N -0.14 -0.09 -0.59 0.00 4.20 -1.93 0.46 115.11 117.02 3pch h GLN 150 Ca 0.25 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.93 3pch h GLN 150 Cb 0.56 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 3pch h GLN 150 CO -0.73 -0.06 0.24 0.00 -0.67 0.00 0.00 178.83 177.61 3pch h ALA 151 N 0.98 0.76 -0.93 3.87 0.00 -1.66 -3.01 119.26 119.27 3pch h ALA 151 Ca 0.06 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.86 3pch h ALA 151 Cb 0.19 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 3pch h ALA 151 CO -0.15 0.37 0.60 -0.91 0.00 0.00 0.00 179.25 179.16 3pch h ASN 152 N 0.81 0.98 0.10 0.00 2.35 0.84 -1.40 115.58 119.26 3pch h ASN 152 Ca 0.20 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.93 3pch h ASN 152 Cb 0.19 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.34 3pch h ASN 152 CO -0.02 0.65 -0.08 0.00 -1.65 0.00 0.00 177.43 176.33 3pch h ALA 153 N 1.40 1.77 -0.05 -0.83 0.00 -0.78 -2.82 119.26 117.96 3pch h ALA 153 Ca 0.39 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3pch h ALA 153 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3pch h ALA 153 CO -0.14 0.10 0.00 1.63 0.00 0.00 0.00 179.25 180.84 3pch n LYS 154 N -4.30 1.80 -1.83 0.00 5.02 -0.61 -4.94 118.16 113.30 3pch n LYS 154 Ca -0.03 -1.71 -0.42 0.00 -2.02 0.00 0.00 58.31 54.13 3pch n LYS 154 Cb 0.16 -1.38 -0.03 0.00 -0.02 0.00 0.00 35.03 33.76 3pch n LYS 154 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3pch h PRO 156 N 8.31 0.00 0.00 0.00 0.13 -1.92 -1.36 132.00 137.16 3pch h PRO 156 Ca -0.44 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.54 3pch h PRO 156 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 3pch h PRO 156 CO 0.94 0.00 -0.78 0.28 -0.23 0.00 0.00 178.00 178.20 3pch h VAL 157 N 0.00 1.25 -0.62 1.56 2.07 -1.93 -3.25 116.25 115.33 3pch h VAL 157 Ca 0.00 -2.25 0.10 0.00 0.82 0.00 0.00 66.70 65.37 3pch h VAL 157 Cb 0.36 2.67 -0.04 0.00 -1.52 0.00 0.00 31.29 32.76 3pch h VAL 157 CO 0.00 0.43 0.41 0.25 0.02 0.00 0.00 177.57 178.68 3pch h LEU 158 N -0.99 0.39 -0.83 2.57 5.85 -1.86 -0.20 115.31 120.22 3pch h LEU 158 Ca -0.22 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.51 3pch h LEU 158 Cb 1.19 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.15 3pch h LEU 158 CO -0.13 0.23 0.00 0.78 -0.34 0.00 0.00 178.44 178.98 3pch h ASN 159 N 0.43 0.00 1.49 1.25 2.35 -1.36 -2.81 115.58 116.93 3pch h ASN 159 Ca 0.29 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.03 3pch h ASN 159 Cb 0.55 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.92 3pch h ASN 159 CO -0.08 0.00 -0.02 -0.07 -1.65 0.00 0.00 177.43 175.61 3pch h LEU 160 N 0.00 0.00 -8.80 1.61 3.38 -1.05 -3.41 115.31 107.04 3pch h LEU 160 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 3pch h LEU 160 Cb 0.47 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.16 3pch h LEU 160 CO 0.00 0.02 0.91 -0.63 0.09 0.00 0.00 178.44 178.83 3pch s ILE 161 N -3.44 4.28 0.14 1.22 1.01 -1.06 -4.93 121.20 118.42 3pch s ILE 161 Ca 0.04 1.37 -0.30 0.00 0.00 0.00 0.00 60.65 61.76 3pch s ILE 161 Cb 0.07 -4.52 -0.05 0.00 0.01 0.00 0.00 42.46 37.96 3pch s ILE 161 CO 0.61 -0.83 1.56 -0.33 0.00 0.00 0.00 174.94 175.95 3pch h GLU 162 N 8.95 -0.37 -5.76 2.79 5.08 -1.88 -3.40 114.58 119.99 3pch h GLU 162 Ca -0.22 0.02 -0.61 0.00 -1.00 0.00 0.00 59.36 57.55 3pch h GLU 162 Cb 1.06 0.08 -0.11 0.00 0.50 0.00 0.00 28.75 30.29 3pch h GLU 162 CO 1.10 -0.24 0.37 -0.65 -1.00 0.00 0.00 179.01 178.59 3pch s GLN 163 N -5.76 3.88 0.41 2.33 -1.52 -1.26 -4.95 119.66 112.80 3pch s GLN 163 Ca -0.15 0.47 0.16 0.00 -1.95 0.00 0.00 55.36 53.89 3pch s GLN 163 Cb 0.10 -3.76 1.04 0.00 -0.22 0.00 0.00 33.01 30.17 3pch s GLN 163 CO 0.63 -0.73 1.87 -1.35 -0.25 0.00 0.00 175.29 175.46 3pch h PRO 164 N 8.25 0.43 -0.59 2.91 0.11 -1.97 0.18 132.00 141.33 3pch h PRO 164 Ca -0.25 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.81 3pch h PRO 164 Cb 1.10 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 3pch h PRO 164 CO 0.89 0.29 0.25 1.96 -0.21 0.00 0.00 178.00 181.17 3pch h GLN 165 N 0.45 0.85 -0.04 1.05 7.50 -1.95 -2.01 115.11 120.95 3pch h GLN 165 Ca 0.45 -0.12 -0.08 0.00 0.50 0.00 0.00 58.65 59.39 3pch h GLN 165 Cb 1.04 -0.15 -0.01 0.00 0.05 0.00 0.00 27.48 28.41 3pch h GLN 165 CO -0.17 0.68 -0.35 0.00 -1.50 0.00 0.00 178.83 177.49 3pch h ARG 166 N 0.84 0.07 -0.82 1.46 3.08 -1.03 -2.78 114.38 115.19 3pch h ARG 166 Ca 0.20 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.25 3pch h ARG 166 Cb 0.14 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.15 3pch h ARG 166 CO -0.02 0.42 0.54 0.00 -1.07 0.00 0.00 179.97 179.84 3pch h ARG 167 N 0.06 1.04 -0.04 0.04 3.08 -1.21 -2.04 114.38 115.31 3pch h ARG 167 Ca 0.01 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.00 3pch h ARG 167 Cb 0.66 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 3pch h ARG 167 CO 0.05 0.69 0.09 0.93 -1.07 0.00 0.00 179.97 180.66 3pch h GLU 168 N 1.07 0.00 0.00 0.04 5.08 -1.47 -1.42 114.58 117.88 3pch h GLU 168 Ca 0.31 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.66 3pch h GLU 168 Cb -0.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 3pch h GLU 168 CO -0.08 0.00 -0.08 1.79 -1.00 0.00 0.00 179.01 179.64 3pch h THR 169 N 0.00 0.26 -0.01 1.13 1.35 -1.50 -2.64 112.91 111.50 3pch h THR 169 Ca 0.02 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 3pch h THR 169 Cb 0.20 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 3pch h THR 169 CO -0.00 0.08 -0.25 0.18 -0.25 0.00 0.00 175.52 175.27 3pch n LEU 170 N -3.28 0.96 -4.47 3.87 4.77 -0.53 -4.81 117.00 113.51 3pch n LEU 170 Ca -0.01 -0.23 -0.43 0.00 -0.03 0.00 0.00 56.01 55.31 3pch n LEU 170 Cb 0.29 -0.13 -0.08 0.00 -2.33 0.00 0.00 43.42 41.16 3pch n LEU 170 CO 0.28 0.18 0.13 -0.63 -1.33 0.00 0.00 177.39 176.03 3pch s ILE 171 N -2.52 5.07 0.31 -0.08 1.01 -1.00 -0.73 121.20 123.27 3pch s ILE 171 Ca 0.24 -0.45 -0.29 0.00 0.00 0.00 0.00 60.65 60.15 3pch s ILE 171 Cb 0.19 -4.09 -0.10 0.00 0.01 0.00 0.00 42.46 38.47 3pch s ILE 171 CO 0.52 -0.50 1.30 0.00 0.00 0.00 0.00 174.94 176.27 3pch s ALA 172 N 2.15 3.50 -0.27 9.38 0.00 0.10 -4.78 121.76 131.84 3pch s ALA 172 Ca 0.12 1.23 -0.17 0.00 0.00 0.00 0.00 51.96 53.14 3pch s ALA 172 Cb -0.18 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.44 3pch s ALA 172 CO 0.13 -0.60 0.45 0.15 0.00 0.00 0.00 175.76 175.89 3pch s LYS 173 N -1.57 4.00 0.28 0.00 1.02 -0.80 -1.46 119.74 121.21 3pch s LYS 173 Ca 0.50 0.16 -0.29 0.00 0.02 0.00 0.00 55.97 56.35 3pch s LYS 173 Cb -0.39 -3.67 -0.10 0.00 -0.52 0.00 0.00 37.83 33.15 3pch s LYS 173 CO 0.50 -0.35 1.34 0.50 -0.92 0.00 0.00 175.35 176.43 3pch s ARG 174 N 2.21 4.35 0.13 1.68 3.52 -1.26 -1.12 118.95 128.45 3pch s ARG 174 Ca 0.18 2.20 -0.02 0.00 -0.13 0.00 0.00 55.73 57.96 3pch s ARG 174 Cb -0.16 -3.11 0.01 0.00 -1.56 0.00 0.00 34.95 30.13 3pch s ARG 174 CO 0.10 -0.25 0.21 0.00 -0.81 0.00 0.00 175.30 174.54 3pch s GLU 176 N -2.19 0.63 -0.20 0.00 2.12 -1.26 -0.61 118.70 117.19 3pch s GLU 176 Ca 0.09 -0.24 -0.00 0.00 0.36 0.00 0.00 54.97 55.17 3pch s GLU 176 Cb -0.01 -0.61 0.05 0.00 0.26 0.00 0.00 34.13 33.82 3pch s GLU 176 CO 0.06 0.13 -0.04 0.08 -0.54 0.00 0.00 175.26 174.94 3pch s VAL 177 N -0.02 1.22 -1.33 3.70 1.01 0.26 -4.77 120.40 120.48 3pch s VAL 177 Ca 0.01 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 61.07 3pch s VAL 177 Cb -0.04 -1.47 -0.00 0.00 0.00 0.00 0.00 36.38 34.86 3pch s VAL 177 CO -0.00 0.00 0.55 0.47 0.00 0.00 0.00 175.10 176.12 3pch n ASP 178 N 4.81 -1.58 -0.94 3.32 9.92 -1.26 -0.30 116.55 130.51 3pch n ASP 178 Ca -0.12 -0.98 -0.12 0.00 -0.53 0.00 0.00 54.79 53.04 3pch n ASP 178 Cb 0.46 -3.28 -0.05 0.00 -0.64 0.00 0.00 41.12 37.60 3pch n ASP 178 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3pch n GLY 179 N -1.85 1.26 3.48 0.44 0.00 -1.26 -4.98 105.19 102.27 3pch n GLY 179 Ca -0.26 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.93 2.07 0.01 1.61 2.47 0.58 -5.08 119.74 118.48 3pch s LYS 180 Ca 0.00 -0.99 -0.30 0.00 -1.56 0.00 0.00 55.97 53.12 3pch s LYS 180 Cb 0.00 -2.21 -0.07 0.00 -1.46 0.00 0.00 37.83 34.09 3pch s LYS 180 CO 0.00 0.54 1.62 0.99 0.16 0.00 0.00 175.35 178.66 3pch s THR 181 N -0.98 3.34 0.10 3.43 2.01 -1.26 0.90 115.64 123.18 3pch s THR 181 Ca 0.16 0.65 0.00 0.00 0.31 0.00 0.00 61.69 62.81 3pch s THR 181 Cb -0.11 -3.42 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 3pch s THR 181 CO 0.07 -0.02 -0.03 0.00 -0.69 0.00 0.00 174.62 173.94 3pch s ALA 182 N 3.14 0.86 -0.02 7.40 0.00 0.22 -1.40 121.76 131.96 3pch s ALA 182 Ca 0.72 -1.35 0.01 0.00 0.00 0.00 0.00 51.96 51.34 3pch s ALA 182 Cb -0.36 0.35 0.01 0.00 0.00 0.00 0.00 23.12 23.12 3pch s ALA 182 CO 0.31 -0.33 -0.02 0.71 0.00 0.00 0.00 175.76 176.43 3pch s TYR 183 N -3.79 0.31 -0.22 0.00 1.51 -0.04 0.68 117.35 115.80 3pch s TYR 183 Ca 0.14 -0.03 -0.07 0.00 -1.01 0.00 0.00 57.07 56.09 3pch s TYR 183 Cb 0.07 -0.32 -0.03 0.00 -0.11 0.00 0.00 41.96 41.56 3pch s TYR 183 CO -0.04 -0.08 0.07 0.50 -1.11 0.00 0.00 175.55 174.89 3pch s ARG 184 N 0.53 3.78 -0.38 -0.62 3.52 -0.28 -1.84 118.95 123.67 3pch s ARG 184 Ca -0.05 -0.42 0.01 0.00 -0.13 0.00 0.00 55.73 55.14 3pch s ARG 184 Cb -0.08 -3.30 0.12 0.00 -1.56 0.00 0.00 34.95 30.13 3pch s ARG 184 CO -0.01 -0.01 0.16 0.12 -0.81 0.00 0.00 175.30 174.74 3pch s PHE 185 N 1.16 2.20 0.13 5.12 5.36 -0.49 -1.91 117.98 129.55 3pch s PHE 185 Ca 0.05 -2.29 -0.12 0.00 -0.96 0.00 0.00 56.93 53.61 3pch s PHE 185 Cb -0.14 -2.03 -0.06 0.00 -0.34 0.00 0.00 43.02 40.45 3pch s PHE 185 CO 0.03 -0.84 0.49 -0.51 -1.46 0.00 0.00 175.22 172.93 3pch s ASP 186 N 0.88 6.72 -0.11 6.13 1.01 -1.26 -4.13 116.67 125.91 3pch s ASP 186 Ca 0.14 0.93 0.03 0.00 0.71 0.00 0.00 52.55 54.35 3pch s ASP 186 Cb -0.21 -2.23 -0.01 0.00 1.01 0.00 0.00 42.92 41.48 3pch s ASP 186 CO -0.11 0.10 -0.20 -0.63 0.21 0.00 0.00 175.17 174.55 3pch s ILE 187 N -1.50 2.48 -0.36 0.77 1.01 -0.26 -4.96 121.20 118.38 3pch s ILE 187 Ca 0.37 -0.88 -0.02 0.00 0.00 0.00 0.00 60.65 60.13 3pch s ILE 187 Cb -0.14 -1.98 0.09 0.00 0.01 0.00 0.00 42.46 40.43 3pch s ILE 187 CO 0.19 0.55 0.12 -0.13 0.00 0.00 0.00 174.94 175.67 3pch s ARG 188 N 0.26 2.12 0.42 2.79 0.52 -1.26 -1.06 118.95 122.74 3pch s ARG 188 Ca -0.13 -1.62 0.09 0.00 -0.52 0.00 0.00 55.73 53.55 3pch s ARG 188 Cb -0.17 -3.41 0.89 0.00 0.52 0.00 0.00 34.95 32.79 3pch s ARG 188 CO 0.07 -0.89 2.01 0.82 0.02 0.00 0.00 175.30 177.33 3pch h ILE 189 N 6.42 1.12 -2.47 1.52 2.04 -1.29 0.23 117.51 125.07 3pch h ILE 189 Ca -0.15 -0.42 -0.09 0.00 1.00 0.00 0.00 64.86 65.21 3pch h ILE 189 Cb 1.05 0.90 -0.20 0.00 -0.74 0.00 0.00 36.82 37.83 3pch h ILE 189 CO 0.62 0.15 -0.03 -1.58 0.00 0.00 0.00 178.15 177.31 3pch s GLN 190 N -5.09 0.86 1.57 2.37 0.74 -1.26 -4.74 119.66 114.10 3pch s GLN 190 Ca -0.07 0.12 0.00 0.00 0.05 0.00 0.00 55.36 55.47 3pch s GLN 190 Cb 0.16 0.40 0.00 0.00 1.10 0.00 0.00 33.01 34.67 3pch s GLN 190 CO 0.72 -0.24 0.00 0.41 -0.55 0.00 0.00 175.29 175.63 3pch n GLY 191 N 1.24 -0.04 3.68 2.59 0.00 -1.26 -4.03 105.19 107.37 3pch n GLY 191 Ca -0.20 -1.44 -0.50 0.00 0.00 0.00 0.00 46.02 43.88 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 1.11 1.97 -2.11 1.61 2.13 -1.26 -0.99 120.64 123.09 3pch n GLU 192 Ca 0.00 0.71 -0.10 0.00 0.66 0.00 0.00 57.16 58.43 3pch n GLU 192 Cb 0.00 -2.56 -0.01 0.00 0.27 0.00 0.00 31.44 29.14 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 4.51 0.06 3.71 8.31 0.00 -1.26 -4.93 105.19 115.59 3pch n GLY 193 Ca 0.24 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.04 2.80 -1.85 1.61 2.13 -0.16 -4.59 120.64 118.54 3pch n GLU 194 Ca -0.12 1.01 -0.41 0.00 0.66 0.00 0.00 57.16 58.30 3pch n GLU 194 Cb 0.57 -2.88 -0.01 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 1.73 2.18 0.16 6.31 2.01 0.81 -4.95 115.64 123.88 3pch s THR 195 Ca 0.77 0.17 -0.30 0.00 0.31 0.00 0.00 61.69 62.64 3pch s THR 195 Cb -0.49 -3.11 -0.08 0.00 0.01 0.00 0.00 72.50 68.83 3pch s THR 195 CO 0.34 0.04 1.23 -0.69 -0.69 0.00 0.00 174.62 174.84 3pch s VAL 196 N -0.86 3.59 0.01 3.82 1.01 -1.26 -4.93 120.40 121.78 3pch s VAL 196 Ca 0.54 1.28 0.06 0.00 0.00 0.00 0.00 61.98 63.87 3pch s VAL 196 Cb -0.46 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.09 3pch s VAL 196 CO 0.58 0.17 -0.20 -0.36 0.00 0.00 0.00 175.10 175.30 3pch s PHE 197 N 0.26 1.75 0.38 5.22 0.08 -1.26 -4.65 117.98 119.77 3pch s PHE 197 Ca 0.55 -0.35 0.08 0.00 0.12 0.00 0.00 56.93 57.33 3pch s PHE 197 Cb -0.33 -1.09 -0.04 0.00 -0.57 0.00 0.00 43.02 40.99 3pch s PHE 197 CO 0.35 0.02 0.23 -0.06 -0.10 0.00 0.00 175.22 175.65 3pch s PHE 198 N -0.59 2.69 -0.02 0.36 0.08 0.12 -4.98 117.98 115.64 3pch s PHE 198 Ca 0.07 -0.47 0.01 0.00 0.12 0.00 0.00 56.93 56.66 3pch s PHE 198 Cb -0.08 -1.90 0.01 0.00 -0.57 0.00 0.00 43.02 40.49 3pch s PHE 198 CO 0.00 0.16 -0.02 0.34 -0.10 0.00 0.00 175.22 175.60 3pch s ASP 199 N -3.95 0.43 0.00 1.36 2.15 -1.26 -4.26 116.67 111.14 3pch s ASP 199 Ca 0.42 -0.05 0.00 0.00 0.43 0.00 0.00 52.55 53.35 3pch s ASP 199 Cb -0.01 -0.16 0.00 0.00 -0.30 0.00 0.00 42.92 42.45 3pch s ASP 199 CO 0.24 -0.04 0.00 2.22 -0.17 0.00 0.00 175.17 177.43