#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 4.52 -0.12 0.52 -1.09 -1.26 -5.02 121.20 118.76 3pch s ILE 2 Ca 0.00 1.81 0.02 0.00 -2.23 0.00 0.00 60.65 60.25 3pch s ILE 2 Cb 0.00 -4.16 -0.00 0.00 -1.58 0.00 0.00 42.46 36.71 3pch s ILE 2 CO 0.00 0.07 -0.19 -1.61 -1.23 0.00 0.00 174.94 171.98 3pch s GLU 3 N 1.56 3.19 0.49 2.79 0.41 -1.26 -5.14 118.70 120.75 3pch s GLU 3 Ca 0.53 -0.79 0.04 0.00 -0.41 0.00 0.00 54.97 54.34 3pch s GLU 3 Cb -0.23 -2.47 0.09 0.00 -1.78 0.00 0.00 34.13 29.74 3pch s GLU 3 CO 0.24 0.16 0.68 1.28 -0.49 0.00 0.00 175.26 177.14 3pch n LEU 4 N 3.62 0.00 -4.76 1.80 4.32 -1.26 -5.04 117.00 115.68 3pch n LEU 4 Ca -0.19 -1.75 -0.38 0.00 -0.02 0.00 0.00 56.01 53.67 3pch n LEU 4 Cb 0.53 -0.40 0.02 0.00 -1.62 0.00 0.00 43.42 41.94 3pch n LEU 4 CO 0.29 -0.76 0.94 -0.76 -1.22 0.00 0.00 177.39 175.88 3pch s LEU 5 N 0.00 3.96 0.31 2.23 1.43 -1.26 -4.95 118.68 120.39 3pch s LEU 5 Ca 0.48 2.63 -0.27 0.00 -1.03 0.00 0.00 54.13 55.94 3pch s LEU 5 Cb -0.03 -4.20 -0.09 0.00 0.03 0.00 0.00 46.19 41.90 3pch s LEU 5 CO 0.31 -1.26 0.99 -2.16 0.23 0.00 0.00 176.35 174.46 3pch s PRO 6 N -2.73 4.60 0.47 1.29 0.05 -1.26 -5.01 135.00 132.40 3pch s PRO 6 Ca 0.67 1.48 -0.23 0.00 0.05 0.00 0.00 61.00 62.97 3pch s PRO 6 Cb -0.37 -2.95 -0.07 0.00 0.05 0.00 0.00 34.50 31.16 3pch s PRO 6 CO 0.45 0.26 1.20 -2.00 0.05 0.00 0.00 177.00 176.95 3pch s GLU 7 N -1.79 3.70 0.18 4.56 2.12 -1.26 -4.95 118.70 121.26 3pch s GLU 7 Ca 0.48 1.85 -0.31 0.00 0.36 0.00 0.00 54.97 57.35 3pch s GLU 7 Cb -0.23 -2.42 -0.10 0.00 0.26 0.00 0.00 34.13 31.64 3pch s GLU 7 CO 0.30 -0.62 1.54 0.99 -0.54 0.00 0.00 175.26 176.92 3pch s THR 8 N -1.49 2.63 0.38 -1.70 2.01 -1.26 -4.94 115.64 111.27 3pch s THR 8 Ca 0.64 0.47 -0.26 0.00 0.31 0.00 0.00 61.69 62.85 3pch s THR 8 Cb -0.31 -3.30 -0.09 0.00 0.01 0.00 0.00 72.50 68.81 3pch s THR 8 CO 0.37 0.05 1.23 -2.16 -0.69 0.00 0.00 174.62 173.42 3pch s PRO 9 N 0.76 4.11 0.70 4.92 0.05 -1.26 -5.02 135.00 139.25 3pch s PRO 9 Ca 0.67 2.01 -0.12 0.00 0.05 0.00 0.00 61.00 63.61 3pch s PRO 9 Cb -0.43 -2.80 0.01 0.00 0.05 0.00 0.00 34.50 31.33 3pch s PRO 9 CO 0.34 -0.33 1.08 0.45 0.05 0.00 0.00 177.00 178.60 3pch s SER 10 N -0.87 5.10 0.01 6.66 0.15 -1.26 -5.07 113.70 118.42 3pch s SER 10 Ca 0.55 1.80 -0.09 0.00 0.70 0.00 0.00 55.95 58.91 3pch s SER 10 Cb -0.35 -2.52 0.01 0.00 -1.71 0.00 0.00 66.02 61.44 3pch s SER 10 CO 0.45 -1.63 0.19 -1.10 1.20 0.00 0.00 173.24 172.34 3pch s GLN 11 N -4.62 0.60 0.56 5.44 -1.52 -1.14 -4.91 119.66 114.07 3pch s GLN 11 Ca 0.62 -0.45 -0.21 0.00 -1.95 0.00 0.00 55.36 53.37 3pch s GLN 11 Cb -0.17 0.25 -0.04 0.00 -0.22 0.00 0.00 33.01 32.83 3pch s GLN 11 CO 0.49 -0.16 1.34 -0.08 -0.25 0.00 0.00 175.29 176.63 3pch s THR 12 N -1.83 2.11 0.30 -0.19 -1.32 -1.19 -4.73 115.64 108.78 3pch s THR 12 Ca -0.11 0.08 0.22 0.00 -1.21 0.00 0.00 61.69 60.67 3pch s THR 12 Cb -0.05 -3.04 0.21 0.00 -1.51 0.00 0.00 72.50 68.12 3pch s THR 12 CO 0.00 -0.00 1.91 0.00 -2.21 0.00 0.00 174.62 174.31 3pch h ALA 13 N 1.29 1.19 -0.13 11.08 0.00 -1.73 -3.49 119.26 127.48 3pch h ALA 13 Ca -0.51 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.20 3pch h ALA 13 Cb 1.31 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3pch h ALA 13 CO 0.56 0.30 -0.03 0.41 0.00 0.00 0.00 179.25 180.49 3pch n GLY 14 N -0.29 -1.89 0.19 0.00 0.00 -1.26 -4.05 105.19 97.89 3pch n GLY 14 Ca -0.01 -1.49 0.14 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.05 0.00 -0.59 1.61 0.13 -1.93 -3.20 132.00 127.97 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 0.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.18 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 -2.66 1.69 -0.26 1.56 4.01 -1.26 -4.61 117.16 115.63 3pch n TYR 16 Ca 0.03 -0.68 0.27 0.00 -0.16 0.00 0.00 57.90 57.36 3pch n TYR 16 Cb 0.35 -0.36 0.64 0.00 -0.31 0.00 0.00 39.34 39.67 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 3.85 0.53 -0.20 -0.72 3.04 -1.69 -1.28 116.25 119.78 3pch h VAL 17 Ca 0.00 -0.06 0.05 0.00 -1.01 0.00 0.00 66.70 65.68 3pch h VAL 17 Cb 1.67 0.35 -0.01 0.00 -2.01 0.00 0.00 31.29 31.29 3pch h VAL 17 CO 0.34 0.03 0.14 0.45 -1.01 0.00 0.00 177.57 177.52 3pch h HIS 18 N 0.16 0.05 -0.12 3.17 3.86 -1.85 -0.69 115.15 119.74 3pch h HIS 18 Ca 0.51 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.68 3pch h HIS 18 Cb 1.71 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 30.15 3pch h HIS 18 CO -0.00 0.03 -0.12 -0.84 0.86 0.00 0.00 177.93 177.86 3pch h ILE 19 N 0.05 1.16 0.02 2.45 3.07 -1.46 0.25 117.51 123.05 3pch h ILE 19 Ca 0.09 -0.69 -0.36 0.00 1.55 0.00 0.00 64.86 65.46 3pch h ILE 19 Cb 0.31 1.20 -0.06 0.00 -0.27 0.00 0.00 36.82 38.00 3pch h ILE 19 CO -0.01 0.21 -2.24 0.61 -1.05 0.00 0.00 178.15 175.68 3pch n GLY 20 N -0.96 -0.77 0.00 0.16 0.00 -0.71 -4.63 105.19 98.27 3pch n GLY 20 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.03 0.82 -2.96 0.99 4.77 -0.35 -4.83 117.00 112.41 3pch n LEU 21 Ca -0.33 -0.82 -0.14 0.00 -0.03 0.00 0.00 56.01 54.69 3pch n LEU 21 Cb 1.08 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 42.20 3pch n LEU 21 CO 0.39 0.20 0.04 0.00 -1.33 0.00 0.00 177.39 176.69 3pch n ALA 22 N -0.04 0.78 -0.21 -1.18 0.00 0.77 -4.96 120.51 115.67 3pch n ALA 22 Ca 0.00 -2.49 -0.03 0.00 0.00 0.00 0.00 53.44 50.92 3pch n ALA 22 Cb 0.09 -1.03 0.03 0.00 0.00 0.00 0.00 19.45 18.54 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 2.98 -0.92 -0.75 0.00 4.07 -1.48 -0.05 115.31 119.16 3pch h LEU 23 Ca -0.00 0.21 0.09 0.00 0.08 0.00 0.00 57.88 58.27 3pch h LEU 23 Cb 1.04 0.50 -0.07 0.00 1.08 0.00 0.00 40.66 43.21 3pch h LEU 23 CO 0.32 -0.27 0.39 -0.08 -1.08 0.00 0.00 178.44 177.73 3pch h GLU 24 N -0.10 0.64 -0.32 1.13 4.81 -1.85 -2.22 114.58 116.67 3pch h GLU 24 Ca 0.27 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.36 3pch h GLU 24 Cb 0.53 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 3pch h GLU 24 CO -0.68 0.43 -0.24 0.00 -0.73 0.00 0.00 179.01 177.79 3pch h ALA 25 N 1.44 0.98 0.00 2.92 0.00 -1.37 -2.39 119.26 120.84 3pch h ALA 25 Ca 0.36 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3pch h ALA 25 Cb 0.36 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3pch h ALA 25 CO -0.26 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.59 3pch n ALA 26 N -2.49 1.54 -2.41 0.00 0.00 -0.56 -4.83 120.51 111.75 3pch n ALA 26 Ca -0.00 0.08 -0.01 0.00 0.00 0.00 0.00 53.44 53.51 3pch n ALA 26 Cb 0.42 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.54 3pch n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3pch n GLY 27 N -0.26 0.76 3.40 0.00 0.00 -0.90 -5.00 105.19 103.19 3pch n GLY 27 Ca 0.02 -0.70 -0.25 0.00 0.00 0.00 0.00 46.02 45.09 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 -3.00 3.21 0.38 1.61 0.01 -0.89 -5.05 114.94 111.21 3pch s ASN 28 Ca 0.02 -0.88 -0.28 0.00 -0.71 0.00 0.00 52.86 51.01 3pch s ASN 28 Cb -0.01 -0.23 -0.10 0.00 0.41 0.00 0.00 41.25 41.32 3pch s ASN 28 CO 0.02 0.06 1.44 -2.16 -1.51 0.00 0.00 177.10 174.95 3pch s PRO 29 N -2.80 4.07 0.59 -0.60 0.04 -1.26 -3.86 135.00 131.17 3pch s PRO 29 Ca 0.20 2.47 0.02 0.00 0.04 0.00 0.00 61.00 63.73 3pch s PRO 29 Cb -0.07 -2.92 0.06 0.00 0.04 0.00 0.00 34.50 31.61 3pch s PRO 29 CO 0.09 -0.53 0.82 0.95 0.04 0.00 0.00 177.00 178.37 3pch s THR 30 N -1.14 2.51 0.63 1.26 -4.23 -1.26 -4.85 115.64 108.56 3pch s THR 30 Ca 0.54 -0.69 0.04 0.00 -1.18 0.00 0.00 61.69 60.39 3pch s THR 30 Cb -0.45 -2.82 0.10 0.00 1.34 0.00 0.00 72.50 70.67 3pch s THR 30 CO 0.60 0.00 0.87 -0.13 -0.54 0.00 0.00 174.62 175.42 3pch s ARG 31 N -4.83 2.07 0.12 3.99 0.52 -1.26 -5.02 118.95 114.55 3pch s ARG 31 Ca 0.60 -1.28 -0.20 0.00 -0.52 0.00 0.00 55.73 54.33 3pch s ARG 31 Cb -0.09 -2.49 -0.04 0.00 0.52 0.00 0.00 34.95 32.85 3pch s ARG 31 CO 0.40 -1.08 1.72 -0.44 0.02 0.00 0.00 175.30 175.92 3pch h ASP 32 N -0.13 -0.08 -3.23 0.23 3.32 -2.07 -3.40 116.42 111.06 3pch h ASP 32 Ca -0.35 0.04 -0.67 0.00 0.02 0.00 0.00 57.03 56.08 3pch h ASP 32 Cb 1.28 0.07 -0.31 0.00 0.22 0.00 0.00 39.33 40.59 3pch h ASP 32 CO 0.42 -0.01 -0.81 -1.10 -1.72 0.00 0.00 179.24 176.02 3pch s GLN 33 N -6.19 3.17 0.04 3.56 -0.21 -1.26 -5.12 119.66 113.65 3pch s GLN 33 Ca -0.13 -0.76 0.05 0.00 0.02 0.00 0.00 55.36 54.54 3pch s GLN 33 Cb 0.10 -2.67 -0.02 0.00 1.00 0.00 0.00 33.01 31.42 3pch s GLN 33 CO 0.68 -0.09 -0.15 -1.21 -2.12 0.00 0.00 175.29 172.41 3pch s GLU 34 N 1.07 0.96 -0.26 2.91 0.41 -1.26 -5.12 118.70 117.41 3pch s GLU 34 Ca -0.00 -0.79 -0.20 0.00 -0.41 0.00 0.00 54.97 53.56 3pch s GLU 34 Cb -0.14 -0.99 -0.02 0.00 -1.78 0.00 0.00 34.13 31.20 3pch s GLU 34 CO -0.04 0.24 0.61 0.42 -0.49 0.00 0.00 175.26 176.00 3pch s ILE 35 N -0.88 4.99 0.00 -1.63 1.01 -1.26 -5.02 121.20 118.41 3pch s ILE 35 Ca 0.02 1.07 0.00 0.00 0.00 0.00 0.00 60.65 61.74 3pch s ILE 35 Cb -0.08 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.46 3pch s ILE 35 CO 0.01 0.02 0.00 1.87 0.00 0.00 0.00 174.94 176.84 3pch n TRP 36 N 5.70 0.00 0.96 3.97 -0.00 -1.26 -4.65 117.44 122.16 3pch n TRP 36 Ca -0.01 0.00 0.05 0.00 -0.00 0.00 0.00 57.50 57.54 3pch n TRP 36 Cb 0.49 0.00 0.14 0.00 -0.00 0.00 0.00 31.31 31.94 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 1.75 -4.14 5.87 6.94 -0.03 -1.45 115.26 124.20 3pch n ASN 37 Ca 0.00 -2.02 -0.38 0.00 -0.02 0.00 0.00 54.58 52.16 3pch n ASN 37 Cb 0.00 -0.23 -0.09 0.00 -2.36 0.00 0.00 39.78 37.11 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 -1.58 2.61 0.24 -3.83 3.52 -1.26 -0.46 118.95 118.19 3pch s ARG 38 Ca 0.21 -2.35 0.12 0.00 -0.13 0.00 0.00 55.73 53.58 3pch s ARG 38 Cb 0.11 -3.82 0.14 0.00 -1.56 0.00 0.00 34.95 29.82 3pch s ARG 38 CO 0.14 -1.18 1.47 -0.07 -0.81 0.00 0.00 175.30 174.86 3pch h LEU 39 N 7.40 0.00 -8.32 -0.88 4.07 -0.75 -3.46 115.31 113.37 3pch h LEU 39 Ca -0.04 0.00 -0.55 0.00 0.08 0.00 0.00 57.88 57.38 3pch h LEU 39 Cb 0.99 0.00 -0.29 0.00 1.08 0.00 0.00 40.66 42.43 3pch h LEU 39 CO 0.73 0.69 -0.83 0.00 -1.08 0.00 0.00 178.44 177.94 3pch s ALA 40 N -3.12 1.46 0.35 1.53 0.00 -1.21 0.74 121.76 121.51 3pch s ALA 40 Ca 0.01 -0.76 -0.20 0.00 0.00 0.00 0.00 51.96 51.02 3pch s ALA 40 Cb 0.10 -0.37 -0.10 0.00 0.00 0.00 0.00 23.12 22.75 3pch s ALA 40 CO 0.77 0.36 0.85 0.15 0.00 0.00 0.00 175.76 177.88 3pch s LYS 41 N -0.41 4.21 0.48 0.00 1.02 0.63 -4.82 119.74 120.86 3pch s LYS 41 Ca 0.07 0.98 0.30 0.00 0.02 0.00 0.00 55.97 57.33 3pch s LYS 41 Cb -0.07 -2.44 1.38 0.00 -0.52 0.00 0.00 37.83 36.18 3pch s LYS 41 CO -0.01 0.13 1.76 -1.35 -0.92 0.00 0.00 175.35 174.97 3pch h PRO 42 N 2.41 0.15 -0.54 -1.68 0.11 -2.00 0.42 132.00 130.87 3pch h PRO 42 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3pch h PRO 42 Cb 1.18 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3pch h PRO 42 CO 0.64 0.10 0.00 -0.40 -0.21 0.00 0.00 178.00 178.12 3pch n ASP 43 N -4.39 2.17 -4.83 -2.05 5.75 -1.26 -4.90 116.55 107.04 3pch n ASP 43 Ca 0.27 -2.17 -0.35 0.00 -0.01 0.00 0.00 54.79 52.54 3pch n ASP 43 Cb 1.16 -0.37 -0.06 0.00 -1.03 0.00 0.00 41.12 40.82 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 -1.65 3.36 0.64 2.12 0.00 0.15 -5.05 121.76 121.33 3pch s ALA 44 Ca 0.21 0.14 -0.16 0.00 0.00 0.00 0.00 51.96 52.15 3pch s ALA 44 Cb 0.13 -2.83 -0.01 0.00 0.00 0.00 0.00 23.12 20.42 3pch s ALA 44 CO 0.10 0.32 1.13 -1.25 0.00 0.00 0.00 175.76 176.06 3pch s PRO 45 N -2.41 2.83 0.00 0.00 0.04 -1.26 -4.90 135.00 129.30 3pch s PRO 45 Ca 0.48 1.51 0.00 0.00 0.04 0.00 0.00 61.00 63.03 3pch s PRO 45 Cb -0.14 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.46 3pch s PRO 45 CO 0.19 -1.25 0.00 0.41 0.04 0.00 0.00 177.00 176.40 3pch n GLY 46 N -0.20 0.57 3.53 0.56 0.00 -1.26 -4.61 105.19 103.78 3pch n GLY 46 Ca 0.11 -2.17 -0.43 0.00 0.00 0.00 0.00 46.02 43.53 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 -1.03 3.36 0.12 1.61 2.12 -1.26 -4.95 118.70 118.67 3pch s GLU 47 Ca 0.00 -0.21 -0.31 0.00 0.36 0.00 0.00 54.97 54.81 3pch s GLU 47 Cb 0.00 -4.03 -0.08 0.00 0.26 0.00 0.00 34.13 30.27 3pch s GLU 47 CO 0.00 -1.43 1.45 -1.01 -0.54 0.00 0.00 175.26 173.73 3pch s HIS 48 N 3.86 3.15 0.09 5.30 3.76 -1.26 -1.02 115.29 129.17 3pch s HIS 48 Ca 0.31 0.84 0.02 0.00 -0.15 0.00 0.00 55.06 56.07 3pch s HIS 48 Cb -0.12 -3.76 -0.04 0.00 1.11 0.00 0.00 32.58 29.77 3pch s HIS 48 CO 0.20 -2.72 -0.07 0.96 -0.85 0.00 0.00 174.74 172.26 3pch s ILE 49 N 1.21 0.67 -0.14 0.60 -4.36 0.77 -4.59 121.20 115.36 3pch s ILE 49 Ca 0.66 -1.83 -0.03 0.00 -0.26 0.00 0.00 60.65 59.20 3pch s ILE 49 Cb -0.39 -1.55 -0.03 0.00 1.25 0.00 0.00 42.46 41.75 3pch s ILE 49 CO 0.30 -0.81 -0.05 -0.22 0.24 0.00 0.00 174.94 174.40 3pch s LEU 50 N -2.86 3.20 -0.05 0.37 2.96 -0.03 -1.86 118.68 120.40 3pch s LEU 50 Ca 0.09 -0.13 0.03 0.00 -0.22 0.00 0.00 54.13 53.91 3pch s LEU 50 Cb 0.03 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 3pch s LEU 50 CO -0.04 0.20 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.30 3pch s LEU 51 N 0.17 2.79 0.05 -0.68 1.43 -0.11 -0.82 118.68 121.52 3pch s LEU 51 Ca -0.02 -0.18 -0.19 0.00 -1.03 0.00 0.00 54.13 52.71 3pch s LEU 51 Cb -0.14 -1.57 0.04 0.00 0.03 0.00 0.00 46.19 44.55 3pch s LEU 51 CO 0.03 0.34 0.44 -1.48 0.23 0.00 0.00 176.35 175.91 3pch s LEU 52 N -0.70 0.28 -0.02 1.79 -0.00 -0.34 -1.01 118.68 118.68 3pch s LEU 52 Ca 0.11 0.02 -0.30 0.00 -0.00 0.00 0.00 54.13 53.96 3pch s LEU 52 Cb -0.11 1.85 0.11 0.00 -0.00 0.00 0.00 46.19 48.04 3pch s LEU 52 CO 0.01 -0.69 1.30 -0.83 -0.00 0.00 0.00 176.35 176.13 3pch s GLY 53 N -2.06 -0.28 0.24 -3.48 0.00 -1.06 -0.40 107.32 100.28 3pch s GLY 53 Ca -0.05 0.40 0.09 0.00 0.00 0.00 0.00 44.72 45.16 3pch s GLY 53 CO -0.03 2.67 -0.15 1.20 0.00 0.00 0.00 173.10 176.80 3pch s GLN 54 N -2.20 1.47 -0.09 2.90 -0.21 -1.26 -1.66 119.66 118.62 3pch s GLN 54 Ca 0.21 -1.68 0.03 0.00 0.02 0.00 0.00 55.36 53.95 3pch s GLN 54 Cb 0.03 -1.32 0.01 0.00 1.00 0.00 0.00 33.01 32.73 3pch s GLN 54 CO -0.03 0.20 -0.18 0.08 -2.12 0.00 0.00 175.29 173.24 3pch s VAL 55 N -2.84 1.63 0.06 1.09 1.01 -1.26 -0.21 120.40 119.88 3pch s VAL 55 Ca 0.26 -0.76 0.08 0.00 0.00 0.00 0.00 61.98 61.55 3pch s VAL 55 Cb -0.01 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 3pch s VAL 55 CO 0.10 0.46 -0.21 -0.31 0.00 0.00 0.00 175.10 175.15 3pch s TYR 56 N 0.53 2.48 0.74 5.22 2.02 0.88 -0.38 117.35 128.84 3pch s TYR 56 Ca -0.16 -0.30 -0.02 0.00 -0.37 0.00 0.00 57.07 56.22 3pch s TYR 56 Cb -0.17 -1.41 0.13 0.00 -0.40 0.00 0.00 41.96 40.11 3pch s TYR 56 CO 0.06 0.25 1.02 0.16 -1.57 0.00 0.00 175.55 175.47 3pch s ASP 57 N -1.55 4.25 0.61 2.29 1.47 0.79 -1.65 116.67 122.87 3pch s ASP 57 Ca 0.14 -0.32 0.35 0.00 1.18 0.00 0.00 52.55 53.90 3pch s ASP 57 Cb -0.10 -0.03 1.89 0.00 -0.34 0.00 0.00 42.92 44.33 3pch s ASP 57 CO 0.05 -1.93 2.06 1.23 0.68 0.00 0.00 175.17 177.26 3pch h GLY 58 N -0.62 0.00 -1.29 2.12 0.00 -1.88 -0.32 103.07 101.08 3pch h GLY 58 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3pch h GLY 58 CO 0.40 0.00 -0.27 0.70 0.00 0.00 0.00 176.54 177.37 3pch n ASN 59 N -2.85 2.35 0.00 0.19 3.02 -1.26 -4.71 115.26 111.99 3pch n ASN 59 Ca -0.02 -1.68 0.00 0.00 -0.03 0.00 0.00 54.58 52.85 3pch n ASN 59 Cb 0.20 0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 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 1.38 0.55 3.81 7.41 0.00 -0.13 -5.03 105.19 113.18 3pch n GLY 60 Ca 0.11 -0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 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 3.81 0.34 1.61 3.76 -1.26 -4.78 115.29 116.77 3pch s HIS 61 Ca 0.00 1.30 -0.29 0.00 -0.15 0.00 0.00 55.06 55.92 3pch s HIS 61 Cb 0.00 -2.52 -0.11 0.00 1.11 0.00 0.00 32.58 31.07 3pch s HIS 61 CO 0.00 0.57 1.39 -0.51 -0.85 0.00 0.00 174.74 175.34 3pch s LEU 62 N -1.16 4.38 -0.62 0.89 1.43 -1.26 -0.15 118.68 122.19 3pch s LEU 62 Ca 0.30 2.83 -0.16 0.00 -1.03 0.00 0.00 54.13 56.07 3pch s LEU 62 Cb -0.20 -3.65 0.15 0.00 0.03 0.00 0.00 46.19 42.51 3pch s LEU 62 CO 0.20 -0.68 0.60 -0.69 0.23 0.00 0.00 176.35 176.01 3pch s VAL 63 N -1.04 5.23 -2.11 -1.59 1.01 0.49 -4.83 120.40 117.56 3pch s VAL 63 Ca 0.51 -1.64 0.18 0.00 0.00 0.00 0.00 61.98 61.04 3pch s VAL 63 Cb -0.43 -4.40 0.46 0.00 0.00 0.00 0.00 36.38 32.01 3pch s VAL 63 CO 0.56 -0.96 1.58 0.54 0.00 0.00 0.00 175.10 176.82 3pch n ARG 64 N 5.17 1.34 -0.36 2.72 1.74 -1.26 -3.92 116.66 122.08 3pch n ARG 64 Ca -0.06 -0.51 0.06 0.00 -0.77 0.00 0.00 57.85 56.57 3pch n ARG 64 Cb 0.42 -1.31 0.11 0.00 -1.02 0.00 0.00 32.46 30.65 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 -0.25 1.56 -4.81 0.55 5.68 -1.26 -4.06 116.55 113.96 3pch n ASP 65 Ca 0.14 -2.86 -0.33 0.00 -0.50 0.00 0.00 54.79 51.23 3pch n ASP 65 Cb 0.18 -0.38 -0.05 0.00 -1.14 0.00 0.00 41.12 39.73 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 6.58 -0.06 -1.12 1.04 -1.25 -4.61 113.70 111.87 3pch s SER 66 Ca 0.25 1.81 0.04 0.00 0.48 0.00 0.00 55.95 58.52 3pch s SER 66 Cb 0.23 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.81 3pch s SER 66 CO -0.01 -0.61 -0.17 0.12 0.98 0.00 0.00 173.24 173.55 3pch s PHE 67 N -2.12 1.77 0.01 5.02 5.36 0.47 -2.26 117.98 126.23 3pch s PHE 67 Ca 0.64 -0.60 0.04 0.00 -0.96 0.00 0.00 56.93 56.06 3pch s PHE 67 Cb -0.13 -1.22 -0.02 0.00 -0.34 0.00 0.00 43.02 41.32 3pch s PHE 67 CO 0.18 -0.24 -0.13 -0.51 -1.46 0.00 0.00 175.22 173.06 3pch s LEU 68 N 0.30 2.09 -0.05 6.12 1.02 -0.53 -0.16 118.68 127.48 3pch s LEU 68 Ca -0.10 -0.34 0.05 0.00 0.02 0.00 0.00 54.13 53.76 3pch s LEU 68 Cb -0.14 -0.62 -0.01 0.00 0.02 0.00 0.00 46.19 45.44 3pch s LEU 68 CO 0.04 0.09 -0.20 -1.61 0.02 0.00 0.00 176.35 174.70 3pch s GLU 69 N -0.70 2.03 0.14 1.70 2.02 -0.91 -1.24 118.70 121.74 3pch s GLU 69 Ca 0.03 -0.70 0.11 0.00 0.02 0.00 0.00 54.97 54.43 3pch s GLU 69 Cb -0.06 -1.74 -0.04 0.00 0.10 0.00 0.00 34.13 32.39 3pch s GLU 69 CO 0.00 0.28 -0.25 0.14 0.02 0.00 0.00 175.26 175.45 3pch s VAL 70 N -0.01 2.18 -0.14 2.63 -7.23 -0.73 -1.66 120.40 115.44 3pch s VAL 70 Ca -0.04 -1.79 -0.06 0.00 -1.81 0.00 0.00 61.98 58.28 3pch s VAL 70 Cb -0.12 -1.96 0.06 0.00 0.56 0.00 0.00 36.38 34.92 3pch s VAL 70 CO 0.03 0.01 0.31 0.86 -0.31 0.00 0.00 175.10 175.99 3pch s TRP 71 N -1.24 -0.50 0.12 2.82 -0.11 -0.73 -2.08 118.94 117.22 3pch s TRP 71 Ca 0.14 1.08 -0.17 0.00 1.22 0.00 0.00 56.10 58.37 3pch s TRP 71 Cb -0.09 0.09 0.04 0.00 -1.50 0.00 0.00 33.47 32.00 3pch s TRP 71 CO 0.07 -0.35 0.43 1.14 -4.62 0.00 0.00 176.95 173.61 3pch s GLN 72 N 2.05 1.07 0.70 5.86 -2.07 -0.37 -0.73 119.66 126.16 3pch s GLN 72 Ca -0.03 -0.63 -0.11 0.00 -1.82 0.00 0.00 55.36 52.76 3pch s GLN 72 Cb -0.11 0.48 0.01 0.00 -1.09 0.00 0.00 33.01 32.29 3pch s GLN 72 CO -0.10 -0.42 1.08 0.00 -1.32 0.00 0.00 175.29 174.53 3pch s ALA 73 N -3.61 2.84 0.96 2.60 0.00 -1.26 -4.47 121.76 118.81 3pch s ALA 73 Ca 0.02 -0.21 -0.16 0.00 0.00 0.00 0.00 51.96 51.60 3pch s ALA 73 Cb 0.01 -3.07 0.19 0.00 0.00 0.00 0.00 23.12 20.26 3pch s ALA 73 CO -0.11 -1.11 1.31 0.16 0.00 0.00 0.00 175.76 176.01 3pch s ASP 74 N -4.19 3.14 0.41 0.00 1.47 0.23 -4.39 116.67 113.33 3pch s ASP 74 Ca 0.58 0.31 0.23 0.00 1.18 0.00 0.00 52.55 54.85 3pch s ASP 74 Cb -0.12 -0.39 1.24 0.00 -0.34 0.00 0.00 42.92 43.31 3pch s ASP 74 CO 0.53 -2.72 1.67 0.00 0.68 0.00 0.00 175.17 175.33 3pch h ALA 75 N -1.63 1.10 -0.33 2.11 0.00 -1.82 0.68 119.26 119.38 3pch h ALA 75 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3pch h ALA 75 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3pch h ALA 75 CO 0.40 -0.10 0.00 0.09 0.00 0.00 0.00 179.25 179.63 3pch n ASN 76 N -2.37 3.02 -0.67 0.00 3.02 -1.26 -4.04 115.26 112.96 3pch n ASN 76 Ca -0.02 -1.93 -0.04 0.00 -0.03 0.00 0.00 54.58 52.56 3pch n ASN 76 Cb 0.17 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 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 1.41 0.32 3.33 7.41 0.00 0.16 -4.79 105.19 113.03 3pch n GLY 77 Ca 0.18 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 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 -4.51 2.51 -0.34 1.61 2.02 -1.25 -4.70 118.70 114.05 3pch s GLU 78 Ca 0.03 -0.85 -0.21 0.00 0.02 0.00 0.00 54.97 53.97 3pch s GLU 78 Cb -0.01 -2.22 -0.00 0.00 0.10 0.00 0.00 34.13 31.99 3pch s GLU 78 CO 0.04 0.46 0.65 0.71 0.02 0.00 0.00 175.26 177.14 3pch s TYR 79 N -0.34 3.17 -0.75 1.61 2.02 -1.26 0.73 117.35 122.53 3pch s TYR 79 Ca 0.02 0.46 -0.17 0.00 -0.37 0.00 0.00 57.07 57.01 3pch s TYR 79 Cb -0.12 -3.10 0.15 0.00 -0.40 0.00 0.00 41.96 38.48 3pch s TYR 79 CO 0.02 -0.58 0.82 -0.65 -1.57 0.00 0.00 175.55 173.59 3pch s GLN 80 N 2.71 3.37 0.33 -0.62 -1.52 -1.26 -4.89 119.66 117.77 3pch s GLN 80 Ca 0.25 -1.86 0.20 0.00 -1.95 0.00 0.00 55.36 52.01 3pch s GLN 80 Cb -0.15 -4.49 0.17 0.00 -0.22 0.00 0.00 33.01 28.33 3pch s GLN 80 CO 0.14 -1.50 1.40 0.38 -0.25 0.00 0.00 175.29 175.46 3pch h ASP 81 N 8.59 0.00 -1.53 5.90 2.03 -1.97 -3.20 116.42 126.24 3pch h ASP 81 Ca -0.04 0.00 -0.59 0.00 -0.73 0.00 0.00 57.03 55.67 3pch h ASP 81 Cb 1.06 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 39.46 3pch h ASP 81 CO 0.98 0.17 1.34 0.00 -1.03 0.00 0.00 179.24 180.70 3pch s ALA 82 N -3.15 2.76 0.00 4.15 0.00 -1.26 -4.95 121.76 119.31 3pch s ALA 82 Ca 0.04 -2.04 -0.30 0.00 0.00 0.00 0.00 51.96 49.66 3pch s ALA 82 Cb 0.07 -4.42 -0.06 0.00 0.00 0.00 0.00 23.12 18.70 3pch s ALA 82 CO 0.72 -3.49 1.46 -0.47 0.00 0.00 0.00 175.76 173.98 3pch s TYR 83 N 5.06 2.71 -0.22 0.00 6.14 -1.26 -4.99 117.35 124.79 3pch s TYR 83 Ca 0.42 0.69 -0.11 0.00 0.64 0.00 0.00 57.07 58.72 3pch s TYR 83 Cb -0.03 -3.73 0.08 0.00 0.42 0.00 0.00 41.96 38.70 3pch s TYR 83 CO -0.03 -2.77 0.51 1.21 0.64 0.00 0.00 175.55 175.11 3pch s ASN 84 N 2.08 -0.63 0.41 4.32 3.84 -1.26 -5.03 114.94 118.66 3pch s ASN 84 Ca 0.66 1.14 0.29 0.00 0.21 0.00 0.00 52.86 55.16 3pch s ASN 84 Cb -0.33 1.20 1.36 0.00 -0.55 0.00 0.00 41.25 42.93 3pch s ASN 84 CO 0.27 -0.22 1.87 -0.07 -2.79 0.00 0.00 177.10 176.16 3pch h LEU 85 N 7.40 0.00 -0.21 3.21 3.38 -1.97 -2.35 115.31 124.77 3pch h LEU 85 Ca -0.29 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.46 3pch h LEU 85 Cb 1.17 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.93 3pch h LEU 85 CO 0.21 0.00 -0.84 -0.33 0.09 0.00 0.00 178.44 177.56 3pch h GLU 86 N 0.00 0.59 -6.64 1.13 5.08 -2.00 -3.46 114.58 109.27 3pch h GLU 86 Ca 0.00 -0.53 -0.58 0.00 -1.00 0.00 0.00 59.36 57.25 3pch h GLU 86 Cb 0.23 0.13 0.16 0.00 0.50 0.00 0.00 28.75 29.77 3pch h GLU 86 CO 0.00 1.15 -0.11 0.09 -1.00 0.00 0.00 179.01 179.15 3pch n ASN 87 N -3.85 0.01 0.12 1.42 3.02 -0.89 -4.90 115.26 110.20 3pch n ASN 87 Ca -0.07 0.82 -0.02 0.00 -0.03 0.00 0.00 54.58 55.27 3pch n ASN 87 Cb 0.78 -1.28 0.12 0.00 -0.61 0.00 0.00 39.78 38.79 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 0.55 0.87 -3.52 5.41 0.00 -1.89 -3.44 119.26 117.24 3pch h ALA 88 Ca -0.46 -0.62 -0.26 0.00 0.00 0.00 0.00 54.91 53.57 3pch h ALA 88 Cb 1.38 -0.11 -0.31 0.00 0.00 0.00 0.00 17.79 18.75 3pch h ALA 88 CO 0.50 0.85 -0.68 0.12 0.00 0.00 0.00 179.25 180.03 3pch s PHE 89 N -3.47 -0.04 -0.07 0.00 5.36 -1.26 0.23 117.98 118.74 3pch s PHE 89 Ca -0.01 0.18 0.05 0.00 -0.96 0.00 0.00 56.93 56.19 3pch s PHE 89 Cb 0.12 -0.11 -0.00 0.00 -0.34 0.00 0.00 43.02 42.69 3pch s PHE 89 CO 0.77 -0.08 -0.21 -0.80 -1.46 0.00 0.00 175.22 173.45 3pch s ASN 90 N 0.66 2.70 0.41 6.13 0.01 0.23 -4.96 114.94 120.11 3pch s ASN 90 Ca -0.05 -0.46 0.21 0.00 -0.71 0.00 0.00 52.86 51.85 3pch s ASN 90 Cb -0.07 -0.97 0.79 0.00 0.41 0.00 0.00 41.25 41.41 3pch s ASN 90 CO -0.02 0.17 1.77 0.28 -1.51 0.00 0.00 177.10 177.79 3pch h SER 91 N 6.43 0.00 -3.43 -1.22 0.02 -1.77 -3.44 113.55 110.15 3pch h SER 91 Ca -0.28 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 -0.18 0.00 0.14 0.00 0.00 62.40 63.56 3pch h SER 91 CO 0.47 0.29 -0.65 0.12 -1.14 0.00 0.00 176.83 175.93 3pch s PHE 92 N -3.62 3.07 0.24 3.45 5.36 -1.26 -1.23 117.98 123.99 3pch s PHE 92 Ca 0.00 0.04 -0.10 0.00 -0.96 0.00 0.00 56.93 55.92 3pch s PHE 92 Cb 0.10 -1.80 -0.01 0.00 -0.34 0.00 0.00 43.02 40.97 3pch s PHE 92 CO 0.66 0.32 0.41 0.20 -1.46 0.00 0.00 175.22 175.35 3pch s GLY 93 N -0.59 0.78 0.02 13.12 0.00 -0.88 -4.86 107.32 114.91 3pch s GLY 93 Ca 0.09 -1.09 -0.00 0.00 0.00 0.00 0.00 44.72 43.72 3pch s GLY 93 CO 0.02 -0.81 -0.02 0.50 0.00 0.00 0.00 173.10 172.79 3pch s ARG 94 N -3.97 0.26 0.25 2.90 0.52 -0.53 -1.77 118.95 116.61 3pch s ARG 94 Ca 0.26 -0.50 -0.19 0.00 -0.52 0.00 0.00 55.73 54.79 3pch s ARG 94 Cb 0.01 0.09 0.02 0.00 0.52 0.00 0.00 34.95 35.59 3pch s ARG 94 CO 0.10 -0.04 0.63 -0.08 0.02 0.00 0.00 175.30 175.93 3pch s THR 95 N -1.20 0.00 0.17 0.02 -1.32 -0.37 -0.85 115.64 112.10 3pch s THR 95 Ca -0.13 -0.99 -0.14 0.00 -1.21 0.00 0.00 61.69 59.22 3pch s THR 95 Cb -0.08 -1.92 0.01 0.00 -1.51 0.00 0.00 72.50 69.00 3pch s THR 95 CO -0.01 -0.02 0.40 0.00 -2.21 0.00 0.00 174.62 172.79 3pch s ALA 96 N -3.92 -0.52 0.01 11.08 0.00 -1.26 -1.45 121.76 125.70 3pch s ALA 96 Ca 0.13 -0.50 -0.11 0.00 0.00 0.00 0.00 51.96 51.47 3pch s ALA 96 Cb -0.04 0.83 -0.05 0.00 0.00 0.00 0.00 23.12 23.86 3pch s ALA 96 CO 0.05 -0.72 0.36 0.95 0.00 0.00 0.00 175.76 176.40 3pch s THR 97 N -3.91 5.13 0.39 0.00 -4.23 -0.96 -4.18 115.64 107.88 3pch s THR 97 Ca 0.12 0.58 -0.27 0.00 -1.18 0.00 0.00 61.69 60.93 3pch s THR 97 Cb 0.01 -3.64 -0.10 0.00 1.34 0.00 0.00 72.50 70.11 3pch s THR 97 CO -0.03 0.47 1.40 0.42 -0.54 0.00 0.00 174.62 176.34 3pch s THR 98 N -1.20 2.30 0.15 3.99 -4.23 -1.06 -4.61 115.64 110.98 3pch s THR 98 Ca 0.26 0.29 0.27 0.00 -1.18 0.00 0.00 61.69 61.33 3pch s THR 98 Cb -0.15 -3.18 0.29 0.00 1.34 0.00 0.00 72.50 70.80 3pch s THR 98 CO 0.14 0.06 1.90 -0.26 -0.54 0.00 0.00 174.62 175.92 3pch h PHE 99 N 2.88 0.00 0.00 3.99 0.04 -1.95 -0.04 116.94 121.86 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 1.24 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.39 3pch h PHE 99 CO 0.53 0.14 0.00 -0.40 -0.60 0.00 0.00 178.31 177.98 3pch n ASP 100 N -3.32 0.00 0.23 2.17 5.75 -1.26 -4.65 116.55 115.47 3pch n ASP 100 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 54.79 54.84 3pch n ASP 100 Cb 0.37 0.00 0.53 0.00 -1.03 0.00 0.00 41.12 40.99 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 1.77 -1.84 2.12 0.00 -1.99 -3.47 119.26 113.85 3pch h ALA 101 Ca 0.00 -0.12 -0.20 0.00 0.00 0.00 0.00 54.91 54.59 3pch h ALA 101 Cb 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.77 3pch h ALA 101 CO 0.00 0.17 -0.27 0.41 0.00 0.00 0.00 179.25 179.56 3pch n GLY 102 N -1.15 0.02 3.36 0.00 0.00 -0.03 -4.93 105.19 102.46 3pch n GLY 102 Ca -0.02 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 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 -4.74 2.29 0.20 1.61 2.12 -1.26 -4.44 118.70 114.48 3pch s GLU 103 Ca 0.06 -0.85 0.07 0.00 0.36 0.00 0.00 54.97 54.61 3pch s GLU 103 Cb -0.03 -2.17 -0.04 0.00 0.26 0.00 0.00 34.13 32.16 3pch s GLU 103 CO 0.07 0.56 0.09 1.67 -0.54 0.00 0.00 175.26 177.11 3pch s TRP 104 N -0.60 2.98 0.04 5.30 1.48 -0.66 -2.55 118.94 124.93 3pch s TRP 104 Ca 0.09 -0.10 -0.01 0.00 -1.06 0.00 0.00 56.10 55.02 3pch s TRP 104 Cb -0.11 -1.40 -0.03 0.00 -1.16 0.00 0.00 33.47 30.77 3pch s TRP 104 CO -0.00 0.53 -0.02 0.95 -4.06 0.00 0.00 176.95 174.35 3pch s THR 105 N -1.90 0.18 -0.11 0.66 -4.23 -1.26 -2.56 115.64 106.42 3pch s THR 105 Ca 0.30 -1.45 -0.09 0.00 -1.18 0.00 0.00 61.69 59.27 3pch s THR 105 Cb -0.09 -1.05 0.03 0.00 1.34 0.00 0.00 72.50 72.73 3pch s THR 105 CO 0.22 -0.80 0.28 -0.22 -0.54 0.00 0.00 174.62 173.55 3pch s LEU 106 N -2.38 0.85 -0.26 4.79 2.96 -0.18 -4.83 118.68 119.63 3pch s LEU 106 Ca -0.02 0.56 -0.02 0.00 -0.22 0.00 0.00 54.13 54.43 3pch s LEU 106 Cb 0.01 0.93 0.03 0.00 0.50 0.00 0.00 46.19 47.66 3pch s LEU 106 CO -0.07 -0.11 -0.03 -1.00 -1.32 0.00 0.00 176.35 173.82 3pch s HIS 107 N 0.33 3.11 0.00 5.38 3.76 0.40 -0.93 115.29 127.33 3pch s HIS 107 Ca -0.01 -1.54 0.00 0.00 -0.15 0.00 0.00 55.06 53.35 3pch s HIS 107 Cb -0.03 -2.09 0.00 0.00 1.11 0.00 0.00 32.58 31.57 3pch s HIS 107 CO -0.01 -0.72 0.00 -2.37 -0.85 0.00 0.00 174.74 170.78 3pch n THR 108 N 4.68 0.00 -4.30 1.30 5.66 -0.78 -0.05 114.28 120.80 3pch n THR 108 Ca -0.16 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.62 3pch n THR 108 Cb 0.46 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 -2.33 1.71 0.11 1.08 -7.23 -1.26 -0.16 120.40 112.32 3pch s VAL 109 Ca 0.00 -1.71 -0.31 0.00 -1.81 0.00 0.00 61.98 58.15 3pch s VAL 109 Cb 0.00 -1.66 -0.08 0.00 0.56 0.00 0.00 36.38 35.20 3pch s VAL 109 CO 0.00 -0.20 1.44 -0.75 -0.31 0.00 0.00 175.10 175.27 3pch s LYS 110 N -2.34 4.29 0.41 4.82 2.20 -0.19 -4.85 119.74 124.08 3pch s LYS 110 Ca 0.10 2.13 -0.25 0.00 -0.36 0.00 0.00 55.97 57.60 3pch s LYS 110 Cb -0.08 -3.28 -0.08 0.00 -1.51 0.00 0.00 37.83 32.88 3pch s LYS 110 CO 0.05 -0.50 1.14 -1.25 -0.36 0.00 0.00 175.35 174.43 3pch s PRO 111 N 1.31 4.03 0.73 4.03 0.04 -1.26 -4.12 135.00 139.77 3pch s PRO 111 Ca 0.66 1.74 -0.10 0.00 0.04 0.00 0.00 61.00 63.34 3pch s PRO 111 Cb -0.38 -2.60 0.05 0.00 0.04 0.00 0.00 34.50 31.61 3pch s PRO 111 CO 0.30 -0.31 1.09 0.20 0.04 0.00 0.00 177.00 178.32 3pch s GLY 112 N -1.28 1.62 0.19 0.56 0.00 -0.77 -4.67 107.32 102.98 3pch s GLY 112 Ca 0.58 -0.64 -0.30 0.00 0.00 0.00 0.00 44.72 44.37 3pch s GLY 112 CO 0.35 -0.22 1.04 0.14 0.00 0.00 0.00 173.10 174.41 3pch s VAL 113 N -3.38 3.96 0.12 1.40 1.01 -1.26 -4.36 120.40 117.89 3pch s VAL 113 Ca 0.60 1.78 0.05 0.00 0.00 0.00 0.00 61.98 64.41 3pch s VAL 113 Cb -0.11 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 3pch s VAL 113 CO 0.48 0.34 -0.13 0.68 0.00 0.00 0.00 175.10 176.48 3pch s VAL 114 N -0.54 1.23 0.16 2.92 -7.23 -1.26 -4.39 120.40 111.29 3pch s VAL 114 Ca 0.46 -1.71 -0.04 0.00 -1.81 0.00 0.00 61.98 58.88 3pch s VAL 114 Cb -0.28 -1.50 -0.05 0.00 0.56 0.00 0.00 36.38 35.10 3pch s VAL 114 CO 0.34 -0.46 0.40 0.20 -0.31 0.00 0.00 175.10 175.27 3pch s ASN 115 N -2.48 6.48 1.00 4.85 0.01 -1.26 -0.30 114.94 123.23 3pch s ASN 115 Ca 0.08 0.58 -0.11 0.00 -0.71 0.00 0.00 52.86 52.71 3pch s ASN 115 Cb -0.04 -2.09 0.14 0.00 0.41 0.00 0.00 41.25 39.67 3pch s ASN 115 CO 0.02 0.02 0.85 -0.46 -1.51 0.00 0.00 177.10 176.01 3pch n ASN 116 N -0.10 0.07 -0.14 -1.22 0.23 0.16 -4.86 115.26 109.39 3pch n ASN 116 Ca -0.03 -1.31 0.06 0.00 -0.53 0.00 0.00 54.58 52.78 3pch n ASN 116 Cb 0.52 -0.65 0.38 0.00 -2.08 0.00 0.00 39.78 37.95 3pch n ASN 116 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3pch h ALA 117 N -1.86 1.72 0.00 -2.53 0.00 -1.99 -1.06 119.26 113.53 3pch h ALA 117 Ca -0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3pch h ALA 117 Cb 0.75 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3pch h ALA 117 CO 0.19 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.63 3pch n ALA 118 N -2.46 2.46 -0.49 0.00 0.00 -1.26 -4.88 120.51 113.88 3pch n ALA 118 Ca 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3pch n ALA 118 Cb 0.19 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.17 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 1.12 0.74 3.71 0.00 0.00 -0.40 -5.05 105.19 105.30 3pch n GLY 119 Ca 0.15 -0.15 -0.38 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 -2.00 5.22 0.17 1.61 1.01 -1.26 -4.77 120.40 120.39 3pch s VAL 120 Ca 0.00 0.77 -0.31 0.00 0.00 0.00 0.00 61.98 62.43 3pch s VAL 120 Cb 0.00 -3.74 -0.10 0.00 0.00 0.00 0.00 36.38 32.54 3pch s VAL 120 CO 0.00 0.32 1.54 -2.84 0.00 0.00 0.00 175.10 174.12 3pch s PRO 121 N 0.80 4.23 0.29 2.72 0.02 -1.26 0.36 135.00 142.15 3pch s PRO 121 Ca 0.21 2.33 -0.03 0.00 0.02 0.00 0.00 61.00 63.53 3pch s PRO 121 Cb -0.14 -3.16 -0.05 0.00 0.02 0.00 0.00 34.50 31.17 3pch s PRO 121 CO 0.08 -0.58 0.53 -1.64 -0.33 0.00 0.00 177.00 175.06 3pch s MET 122 N 1.02 3.59 0.61 5.54 -1.94 0.59 -4.45 119.30 124.27 3pch s MET 122 Ca 0.69 -0.10 -0.16 0.00 -1.71 0.00 0.00 55.69 54.41 3pch s MET 122 Cb -0.43 -2.67 -0.02 0.00 2.01 0.00 0.00 34.83 33.71 3pch s MET 122 CO 0.32 0.22 1.09 0.00 -0.01 0.00 0.00 175.02 176.64 3pch s ALA 123 N -2.10 2.61 0.14 3.03 0.00 -1.26 -4.17 121.76 120.01 3pch s ALA 123 Ca 0.42 0.53 -0.34 0.00 0.00 0.00 0.00 51.96 52.57 3pch s ALA 123 Cb -0.11 -3.29 -0.16 0.00 0.00 0.00 0.00 23.12 19.57 3pch s ALA 123 CO 0.31 -1.00 1.27 -2.30 0.00 0.00 0.00 175.76 174.03 3pch n PRO 124 N -2.07 1.25 -3.48 0.00 -0.02 -1.26 -4.87 135.00 124.54 3pch n PRO 124 Ca 0.10 0.45 -0.13 0.00 -2.02 0.00 0.00 63.50 61.89 3pch n PRO 124 Cb 0.52 -2.02 -0.03 0.00 -0.02 0.00 0.00 33.50 31.94 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 0.14 -0.51 -0.17 6.00 -3.43 -1.26 -4.43 115.29 111.64 3pch s HIS 125 Ca 0.78 0.44 0.01 0.00 -0.80 0.00 0.00 55.06 55.48 3pch s HIS 125 Cb -0.87 0.47 0.01 0.00 -1.43 0.00 0.00 32.58 30.75 3pch s HIS 125 CO 0.49 -0.76 -0.17 0.42 -2.00 0.00 0.00 174.74 172.72 3pch s ILE 126 N -3.13 2.38 0.01 -5.38 1.01 -0.65 -4.60 121.20 110.84 3pch s ILE 126 Ca -0.02 -0.85 -0.30 0.00 0.00 0.00 0.00 60.65 59.48 3pch s ILE 126 Cb -0.00 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 3pch s ILE 126 CO -0.07 0.52 1.00 0.20 0.00 0.00 0.00 174.94 176.59 3pch s ASN 127 N 1.05 7.35 0.03 3.58 0.01 0.09 -0.20 114.94 126.85 3pch s ASN 127 Ca -0.01 1.71 0.07 0.00 -0.71 0.00 0.00 52.86 53.92 3pch s ASN 127 Cb -0.14 -2.57 -0.02 0.00 0.41 0.00 0.00 41.25 38.92 3pch s ASN 127 CO -0.05 -0.27 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.43 3pch s ILE 128 N 0.94 1.68 -0.12 0.60 1.01 0.40 -1.78 121.20 123.93 3pch s ILE 128 Ca 0.52 -1.14 0.00 0.00 0.00 0.00 0.00 60.65 60.04 3pch s ILE 128 Cb -0.22 -1.44 0.02 0.00 0.01 0.00 0.00 42.46 40.83 3pch s ILE 128 CO 0.28 0.27 -0.10 -0.44 0.00 0.00 0.00 174.94 174.95 3pch s SER 129 N -1.03 2.29 -0.16 3.58 0.01 -0.66 -1.07 113.70 116.66 3pch s SER 129 Ca 0.08 -0.35 -0.06 0.00 1.31 0.00 0.00 55.95 56.93 3pch s SER 129 Cb -0.09 -0.94 -0.04 0.00 0.21 0.00 0.00 66.02 65.17 3pch s SER 129 CO 0.01 -0.08 0.04 -0.22 0.41 0.00 0.00 173.24 173.40 3pch s LEU 130 N 1.53 3.70 0.05 2.44 2.96 0.85 -2.14 118.68 128.07 3pch s LEU 130 Ca 0.03 0.08 0.05 0.00 -0.22 0.00 0.00 54.13 54.07 3pch s LEU 130 Cb -0.13 -1.91 -0.02 0.00 0.50 0.00 0.00 46.19 44.62 3pch s LEU 130 CO -0.08 0.22 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.67 3pch s PHE 131 N 0.07 1.30 0.00 5.38 0.40 0.78 -1.92 117.98 123.98 3pch s PHE 131 Ca 0.04 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 55.99 3pch s PHE 131 Cb -0.12 -0.76 0.00 0.00 0.51 0.00 0.00 43.02 42.65 3pch s PHE 131 CO 0.01 0.05 0.00 0.00 0.70 0.00 0.00 175.22 175.98 3pch n ALA 132 N 1.75 0.00 -1.71 5.36 0.00 -1.26 -0.40 120.51 124.26 3pch n ALA 132 Ca -0.19 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.85 3pch n ALA 132 Cb 0.54 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.06 1.85 -0.02 0.00 1.85 -1.24 -1.21 116.66 117.83 3pch n ARG 133 Ca 0.00 0.66 0.00 0.00 -1.00 0.00 0.00 57.85 57.51 3pch n ARG 133 Cb 0.00 -2.42 0.00 0.00 -1.05 0.00 0.00 32.46 28.99 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 0.82 1.79 3.33 2.89 0.00 -1.26 -4.94 105.19 107.82 3pch n GLY 134 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.63 4.16 0.11 -0.61 1.01 -0.35 -4.97 121.20 117.93 3pch s ILE 135 Ca 0.00 -0.94 -0.12 0.00 0.00 0.00 0.00 60.65 59.59 3pch s ILE 135 Cb 0.00 -3.31 -0.14 0.00 0.01 0.00 0.00 42.46 39.02 3pch s ILE 135 CO 0.00 -0.16 1.34 0.78 0.00 0.00 0.00 174.94 176.89 3pch h ASN 136 N 8.32 0.93 -3.76 3.58 2.35 -1.89 -3.30 115.58 121.81 3pch h ASN 136 Ca -0.25 -0.58 -0.34 0.00 -0.55 0.00 0.00 56.30 54.57 3pch h ASN 136 Cb 1.10 -0.27 -0.30 0.00 0.05 0.00 0.00 38.32 38.89 3pch h ASN 136 CO 0.63 1.38 -0.75 -0.51 -1.65 0.00 0.00 177.43 176.53 3pch s ILE 137 N -3.83 0.38 0.80 2.81 2.07 -1.26 -2.88 121.20 119.28 3pch s ILE 137 Ca -0.10 -0.15 -0.14 0.00 -1.41 0.00 0.00 60.65 58.86 3pch s ILE 137 Cb 0.09 -0.36 0.06 0.00 0.13 0.00 0.00 42.46 42.39 3pch s ILE 137 CO 0.90 0.13 1.11 0.00 -1.91 0.00 0.00 174.94 175.18 3pch n HIS 138 N 3.33 1.01 -3.69 3.50 1.44 -1.26 -5.00 115.22 114.56 3pch n HIS 138 Ca -0.17 0.40 -0.36 0.00 -2.01 0.00 0.00 57.72 55.58 3pch n HIS 138 Cb 0.56 -2.09 -0.08 0.00 0.12 0.00 0.00 29.99 28.50 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 -4.89 4.18 -0.11 2.39 1.43 -0.81 -4.88 118.68 115.99 3pch s LEU 139 Ca 0.73 0.22 -0.09 0.00 -1.03 0.00 0.00 54.13 53.96 3pch s LEU 139 Cb -0.30 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.75 3pch s LEU 139 CO 0.52 0.13 0.19 -1.00 0.23 0.00 0.00 176.35 176.42 3pch s HIS 140 N 0.59 3.59 0.29 0.29 3.76 -1.26 -0.11 115.29 122.45 3pch s HIS 140 Ca 0.09 0.59 -0.11 0.00 -0.15 0.00 0.00 55.06 55.48 3pch s HIS 140 Cb -0.12 -2.05 0.01 0.00 1.11 0.00 0.00 32.58 31.53 3pch s HIS 140 CO 0.01 0.64 0.54 -0.08 -0.85 0.00 0.00 174.74 175.00 3pch s THR 141 N -0.79 0.00 0.08 1.30 -1.32 -0.23 -0.45 115.64 114.23 3pch s THR 141 Ca 0.16 -1.37 0.06 0.00 -1.21 0.00 0.00 61.69 59.33 3pch s THR 141 Cb -0.13 -2.39 -0.03 0.00 -1.51 0.00 0.00 72.50 68.44 3pch s THR 141 CO 0.05 0.00 -0.15 -0.13 -2.21 0.00 0.00 174.62 172.18 3pch s ARG 142 N -3.53 0.87 -0.18 7.08 0.52 -1.26 -0.45 118.95 121.99 3pch s ARG 142 Ca 0.23 -0.99 -0.01 0.00 -0.52 0.00 0.00 55.73 54.44 3pch s ARG 142 Cb -0.02 -0.91 0.01 0.00 0.52 0.00 0.00 34.95 34.55 3pch s ARG 142 CO 0.12 0.20 -0.14 -1.17 0.02 0.00 0.00 175.30 174.33 3pch s LEU 143 N -1.78 2.45 0.34 2.53 0.20 0.72 -4.77 118.68 118.37 3pch s LEU 143 Ca -0.00 -0.52 0.08 0.00 0.69 0.00 0.00 54.13 54.37 3pch s LEU 143 Cb -0.10 -1.58 -0.04 0.00 -0.43 0.00 0.00 46.19 44.04 3pch s LEU 143 CO 0.03 0.02 0.16 -0.31 -0.29 0.00 0.00 176.35 175.95 3pch s TYR 144 N 1.21 2.74 -0.12 5.38 1.51 0.38 -1.64 117.35 126.81 3pch s TYR 144 Ca 0.02 -0.36 -0.01 0.00 -1.01 0.00 0.00 57.07 55.71 3pch s TYR 144 Cb -0.14 -1.65 -0.02 0.00 -0.11 0.00 0.00 41.96 40.04 3pch s TYR 144 CO -0.06 0.33 -0.10 -0.06 -1.11 0.00 0.00 175.55 174.54 3pch s PHE 145 N -2.40 2.87 0.54 2.71 0.08 -1.26 0.54 117.98 121.06 3pch s PHE 145 Ca 0.38 -0.42 0.38 0.00 0.12 0.00 0.00 56.93 57.39 3pch s PHE 145 Cb -0.03 -1.84 2.03 0.00 -0.57 0.00 0.00 43.02 42.61 3pch s PHE 145 CO 0.23 -0.06 2.26 0.38 -0.10 0.00 0.00 175.22 177.93 3pch h ASP 146 N 6.40 0.00 -0.39 1.36 2.03 -1.54 -2.05 116.42 122.23 3pch h ASP 146 Ca -0.32 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.98 3pch h ASP 146 Cb 1.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 3pch h ASP 146 CO 0.57 0.02 0.00 -0.90 -1.03 0.00 0.00 179.24 177.90 3pch n ASP 147 N -3.32 4.22 -1.47 4.15 5.68 -1.26 -3.99 116.55 120.54 3pch n ASP 147 Ca -0.02 -2.63 -0.04 0.00 -0.50 0.00 0.00 54.79 51.60 3pch n ASP 147 Cb 0.13 -0.63 0.10 0.00 -1.14 0.00 0.00 41.12 39.58 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 0.42 1.90 -0.28 0.11 -0.58 -0.77 -4.89 120.64 116.56 3pch n GLU 148 Ca 0.19 -3.35 0.09 0.00 -0.42 0.00 0.00 57.16 53.68 3pch n GLU 148 Cb 0.89 -1.51 0.23 0.00 -0.57 0.00 0.00 31.44 30.48 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 1.56 1.04 0.08 0.62 0.00 -1.76 0.30 119.26 121.10 3pch h ALA 149 Ca 0.05 0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.21 3pch h ALA 149 Cb 1.36 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 3pch h ALA 149 CO 0.26 -0.44 -0.23 1.96 0.00 0.00 0.00 179.25 180.80 3pch h GLN 150 N 0.16 -0.39 -0.47 0.00 4.20 -1.95 0.20 115.11 116.86 3pch h GLN 150 Ca 0.49 0.03 -0.02 0.00 0.06 0.00 0.00 58.65 59.20 3pch h GLN 150 Cb 0.93 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.78 3pch h GLN 150 CO -0.67 -0.26 0.21 0.00 -0.67 0.00 0.00 178.83 177.44 3pch h ALA 151 N 0.40 0.60 -0.69 3.87 0.00 -1.60 -2.73 119.26 119.12 3pch h ALA 151 Ca 0.04 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.89 3pch h ALA 151 Cb 0.44 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 3pch h ALA 151 CO -0.15 0.19 0.36 -0.91 0.00 0.00 0.00 179.25 178.74 3pch h ASN 152 N 0.61 0.50 -0.12 0.00 2.35 -0.03 -1.37 115.58 117.51 3pch h ASN 152 Ca 0.16 0.05 0.04 0.00 -0.55 0.00 0.00 56.30 55.99 3pch h ASN 152 Cb 0.16 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.48 3pch h ASN 152 CO -0.02 0.30 0.09 0.00 -1.65 0.00 0.00 177.43 176.15 3pch h ALA 153 N 1.40 2.11 -0.07 -0.83 0.00 -0.30 -2.58 119.26 118.99 3pch h ALA 153 Ca 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3pch h ALA 153 Cb 0.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3pch h ALA 153 CO -0.23 -0.15 0.00 1.63 0.00 0.00 0.00 179.25 180.50 3pch n LYS 154 N -4.50 2.03 -1.81 0.00 5.02 -0.69 -4.92 118.16 113.29 3pch n LYS 154 Ca -0.00 -1.83 -0.42 0.00 -2.02 0.00 0.00 58.31 54.04 3pch n LYS 154 Cb 0.21 -1.42 -0.03 0.00 -0.02 0.00 0.00 35.03 33.77 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 8.42 0.00 0.00 0.00 0.13 -1.92 0.03 132.00 138.67 3pch h PRO 156 Ca -0.44 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.64 3pch h PRO 156 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 3pch h PRO 156 CO 0.94 0.08 -0.29 0.28 -0.23 0.00 0.00 178.00 178.78 3pch h VAL 157 N 0.00 1.26 -1.00 1.56 2.07 -1.94 -3.24 116.25 114.97 3pch h VAL 157 Ca -0.00 -2.05 0.08 0.00 0.82 0.00 0.00 66.70 65.55 3pch h VAL 157 Cb 0.20 2.48 -0.07 0.00 -1.52 0.00 0.00 31.29 32.38 3pch h VAL 157 CO 0.01 0.43 0.64 0.25 0.02 0.00 0.00 177.57 178.92 3pch h LEU 158 N -1.00 1.00 -0.84 2.57 5.85 -1.85 -0.74 115.31 120.31 3pch h LEU 158 Ca -0.07 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3pch h LEU 158 Cb 0.89 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.73 3pch h LEU 158 CO -0.04 0.61 0.00 0.59 -0.34 0.00 0.00 178.44 179.26 3pch n ASN 159 N -4.54 0.53 0.23 1.25 3.02 -0.02 -1.85 115.26 113.88 3pch n ASN 159 Ca 0.16 0.67 0.13 0.00 -0.03 0.00 0.00 54.58 55.51 3pch n ASN 159 Cb 0.23 -0.77 0.29 0.00 -0.61 0.00 0.00 39.78 38.92 3pch n ASN 159 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3pch h LEU 160 N 0.00 0.00 -9.03 3.41 3.38 -1.14 -3.43 115.31 108.50 3pch h LEU 160 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 3pch h LEU 160 Cb 0.21 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 3pch h LEU 160 CO 0.00 0.03 0.84 -0.63 0.09 0.00 0.00 178.44 178.78 3pch s ILE 161 N -3.32 4.52 0.05 1.22 1.01 -0.77 -4.94 121.20 118.97 3pch s ILE 161 Ca 0.05 1.80 -0.17 0.00 0.00 0.00 0.00 60.65 62.33 3pch s ILE 161 Cb 0.06 -4.30 -0.07 0.00 0.01 0.00 0.00 42.46 38.16 3pch s ILE 161 CO 0.64 -0.31 1.27 -0.33 0.00 0.00 0.00 174.94 176.22 3pch h GLU 162 N 7.94 -0.33 -6.39 2.79 5.08 -1.88 -3.41 114.58 118.38 3pch h GLU 162 Ca -0.21 0.02 -0.57 0.00 -1.00 0.00 0.00 59.36 57.60 3pch h GLU 162 Cb 1.07 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.35 3pch h GLU 162 CO 1.00 -0.22 1.01 -0.65 -1.00 0.00 0.00 179.01 179.15 3pch s GLN 163 N -4.35 3.82 0.33 2.33 -1.52 -1.26 -4.92 119.66 114.08 3pch s GLN 163 Ca -0.08 1.22 0.09 0.00 -1.95 0.00 0.00 55.36 54.64 3pch s GLN 163 Cb 0.03 -3.93 0.82 0.00 -0.22 0.00 0.00 33.01 29.71 3pch s GLN 163 CO 0.30 -1.25 1.79 -1.35 -0.25 0.00 0.00 175.29 174.53 3pch h PRO 164 N 9.81 0.67 0.00 2.91 0.11 -1.98 0.20 132.00 143.72 3pch h PRO 164 Ca -0.27 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.79 3pch h PRO 164 Cb 1.11 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.06 3pch h PRO 164 CO 1.04 0.44 -0.02 1.96 -0.21 0.00 0.00 178.00 181.21 3pch h GLN 165 N 0.69 0.00 -0.07 1.05 7.50 -1.96 -2.38 115.11 119.95 3pch h GLN 165 Ca 0.56 0.00 -0.18 0.00 0.50 0.00 0.00 58.65 59.53 3pch h GLN 165 Cb 0.97 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.49 3pch h GLN 165 CO -0.33 0.02 -0.72 0.00 -1.50 0.00 0.00 178.83 176.30 3pch h ARG 166 N 0.00 0.35 -0.60 1.46 3.08 -1.00 -3.21 114.38 114.46 3pch h ARG 166 Ca -0.00 -0.28 0.03 0.00 0.07 0.00 0.00 59.98 59.80 3pch h ARG 166 Cb 0.04 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 3pch h ARG 166 CO 0.00 0.92 0.40 0.00 -1.07 0.00 0.00 179.97 180.23 3pch h ARG 167 N 0.24 0.68 -0.82 0.04 3.08 -1.35 -1.76 114.38 114.49 3pch h ARG 167 Ca -0.03 -0.04 0.09 0.00 0.07 0.00 0.00 59.98 60.07 3pch h ARG 167 Cb 1.28 -0.15 -0.06 0.00 0.08 0.00 0.00 29.97 31.12 3pch h ARG 167 CO 0.12 0.45 0.54 0.93 -1.07 0.00 0.00 179.97 180.94 3pch h GLU 168 N 0.70 0.77 0.00 0.04 5.08 -1.57 -2.20 114.58 117.40 3pch h GLU 168 Ca 0.24 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3pch h GLU 168 Cb 0.09 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3pch h GLU 168 CO -0.07 0.51 0.07 1.79 -1.00 0.00 0.00 179.01 180.32 3pch h THR 169 N 0.79 0.00 -0.02 1.13 1.35 -1.47 -1.83 112.91 112.86 3pch h THR 169 Ca 0.38 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.24 3pch h THR 169 Cb 0.41 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 67.64 3pch h THR 169 CO -0.15 0.00 -0.06 0.18 -0.25 0.00 0.00 175.52 175.24 3pch n LEU 170 N -2.84 2.18 -4.50 3.87 4.77 -0.83 -4.83 117.00 114.82 3pch n LEU 170 Ca -0.02 -0.73 -0.42 0.00 -0.03 0.00 0.00 56.01 54.81 3pch n LEU 170 Cb 0.13 -0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.12 3pch n LEU 170 CO 0.16 0.37 0.04 -0.63 -1.33 0.00 0.00 177.39 176.00 3pch s ILE 171 N -2.08 5.15 0.32 -0.08 1.01 -0.69 -0.47 121.20 124.36 3pch s ILE 171 Ca 0.31 -0.29 -0.28 0.00 0.00 0.00 0.00 60.65 60.38 3pch s ILE 171 Cb 0.20 -3.94 -0.10 0.00 0.01 0.00 0.00 42.46 38.64 3pch s ILE 171 CO 0.35 -0.29 1.17 0.00 0.00 0.00 0.00 174.94 176.17 3pch s ALA 172 N 1.99 3.39 -0.31 9.38 0.00 0.19 -4.83 121.76 131.57 3pch s ALA 172 Ca 0.10 1.01 -0.14 0.00 0.00 0.00 0.00 51.96 52.93 3pch s ALA 172 Cb -0.17 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 3pch s ALA 172 CO 0.12 -0.35 0.32 0.15 0.00 0.00 0.00 175.76 176.00 3pch s LYS 173 N -1.70 3.78 0.38 0.00 1.02 -0.27 -1.37 119.74 121.58 3pch s LYS 173 Ca 0.48 -0.28 -0.28 0.00 0.02 0.00 0.00 55.97 55.91 3pch s LYS 173 Cb -0.34 -3.73 -0.10 0.00 -0.52 0.00 0.00 37.83 33.14 3pch s LYS 173 CO 0.44 -0.37 1.41 0.50 -0.92 0.00 0.00 175.35 176.41 3pch s ARG 174 N 1.95 4.10 0.04 1.68 3.52 -1.26 -1.54 118.95 127.44 3pch s ARG 174 Ca 0.11 2.41 -0.00 0.00 -0.13 0.00 0.00 55.73 58.12 3pch s ARG 174 Cb -0.16 -2.93 0.00 0.00 -1.56 0.00 0.00 34.95 30.30 3pch s ARG 174 CO 0.11 -0.48 0.06 0.00 -0.81 0.00 0.00 175.30 174.18 3pch s GLU 176 N -2.08 0.10 -0.17 0.00 2.12 -1.26 -1.41 118.70 115.99 3pch s GLU 176 Ca 0.03 0.06 0.00 0.00 0.36 0.00 0.00 54.97 55.43 3pch s GLU 176 Cb -0.00 -0.24 0.04 0.00 0.26 0.00 0.00 34.13 34.19 3pch s GLU 176 CO 0.02 -0.08 -0.08 0.08 -0.54 0.00 0.00 175.26 174.66 3pch s VAL 177 N 0.60 1.37 -1.42 3.70 1.01 0.39 -4.70 120.40 121.35 3pch s VAL 177 Ca -0.05 -0.77 -0.08 0.00 0.00 0.00 0.00 61.98 61.09 3pch s VAL 177 Cb -0.08 -1.47 0.04 0.00 0.00 0.00 0.00 36.38 34.88 3pch s VAL 177 CO -0.01 0.19 0.88 0.47 0.00 0.00 0.00 175.10 176.63 3pch n ASP 178 N 4.79 -3.34 -3.56 3.32 8.00 -1.26 0.47 116.55 124.96 3pch n ASP 178 Ca -0.14 -0.78 -0.26 0.00 0.71 0.00 0.00 54.79 54.32 3pch n ASP 178 Cb 0.48 -4.06 0.03 0.00 -0.02 0.00 0.00 41.12 37.55 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 -1.66 -0.51 3.23 0.44 0.00 -1.26 -4.96 105.19 100.48 3pch n GLY 179 Ca -0.11 0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 -6.26 2.17 0.06 1.61 2.47 0.18 -5.10 119.74 114.87 3pch s LYS 180 Ca 0.52 -0.81 -0.31 0.00 -1.56 0.00 0.00 55.97 53.82 3pch s LYS 180 Cb -0.26 -1.91 -0.08 0.00 -1.46 0.00 0.00 37.83 34.12 3pch s LYS 180 CO 0.65 0.38 1.67 0.99 0.16 0.00 0.00 175.35 179.20 3pch s THR 181 N -0.23 3.07 0.10 3.43 2.01 -1.26 0.15 115.64 122.91 3pch s THR 181 Ca 0.00 0.47 0.04 0.00 0.31 0.00 0.00 61.69 62.51 3pch s THR 181 Cb -0.12 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 69.05 3pch s THR 181 CO 0.02 -0.01 -0.11 0.00 -0.69 0.00 0.00 174.62 173.83 3pch s ALA 182 N 2.87 1.19 -0.03 7.40 0.00 -0.50 -0.86 121.76 131.83 3pch s ALA 182 Ca 0.75 -1.20 -0.01 0.00 0.00 0.00 0.00 51.96 51.50 3pch s ALA 182 Cb -0.39 0.00 0.03 0.00 0.00 0.00 0.00 23.12 22.76 3pch s ALA 182 CO 0.33 0.00 0.03 0.71 0.00 0.00 0.00 175.76 176.83 3pch s TYR 183 N -2.32 0.15 -0.22 0.00 1.51 0.00 0.79 117.35 117.26 3pch s TYR 183 Ca 0.06 0.13 -0.12 0.00 -1.01 0.00 0.00 57.07 56.12 3pch s TYR 183 Cb -0.04 -0.40 -0.05 0.00 -0.11 0.00 0.00 41.96 41.36 3pch s TYR 183 CO 0.01 -0.15 0.23 0.50 -1.11 0.00 0.00 175.55 175.02 3pch s ARG 184 N 1.52 4.11 -0.32 -0.62 3.52 -0.59 -1.20 118.95 125.38 3pch s ARG 184 Ca -0.03 -0.13 -0.02 0.00 -0.13 0.00 0.00 55.73 55.42 3pch s ARG 184 Cb -0.13 -3.53 0.11 0.00 -1.56 0.00 0.00 34.95 29.84 3pch s ARG 184 CO -0.03 0.05 0.13 0.12 -0.81 0.00 0.00 175.30 174.77 3pch s PHE 185 N 1.06 1.08 0.15 5.12 5.36 0.46 -1.11 117.98 130.09 3pch s PHE 185 Ca 0.11 -1.44 -0.16 0.00 -0.96 0.00 0.00 56.93 54.48 3pch s PHE 185 Cb -0.14 -1.32 -0.07 0.00 -0.34 0.00 0.00 43.02 41.15 3pch s PHE 185 CO 0.05 -0.85 0.58 -0.51 -1.46 0.00 0.00 175.22 173.03 3pch s ASP 186 N 1.65 6.90 -0.15 6.13 1.01 -1.26 -4.01 116.67 126.93 3pch s ASP 186 Ca 0.11 1.16 -0.00 0.00 0.71 0.00 0.00 52.55 54.52 3pch s ASP 186 Cb -0.18 -2.32 -0.01 0.00 1.01 0.00 0.00 42.92 41.42 3pch s ASP 186 CO -0.25 0.12 -0.13 -0.63 0.21 0.00 0.00 175.17 174.49 3pch s ILE 187 N -1.42 2.93 -0.30 0.77 1.01 0.71 -4.94 121.20 119.96 3pch s ILE 187 Ca 0.37 -0.68 -0.03 0.00 0.00 0.00 0.00 60.65 60.31 3pch s ILE 187 Cb -0.16 -2.25 0.04 0.00 0.01 0.00 0.00 42.46 40.11 3pch s ILE 187 CO 0.19 0.51 0.02 -0.13 0.00 0.00 0.00 174.94 175.53 3pch s ARG 188 N 0.69 2.54 0.27 2.79 0.52 -1.26 -0.08 118.95 124.42 3pch s ARG 188 Ca -0.06 -1.20 -0.01 0.00 -0.52 0.00 0.00 55.73 53.94 3pch s ARG 188 Cb -0.15 -3.23 0.37 0.00 0.52 0.00 0.00 34.95 32.45 3pch s ARG 188 CO 0.02 -0.60 1.77 0.82 0.02 0.00 0.00 175.30 177.33 3pch h ILE 189 N 6.35 1.24 -2.80 1.52 2.04 -1.61 0.21 117.51 124.46 3pch h ILE 189 Ca -0.23 -0.98 -0.11 0.00 1.00 0.00 0.00 64.86 64.54 3pch h ILE 189 Cb 1.07 0.89 -0.21 0.00 -0.74 0.00 0.00 36.82 37.83 3pch h ILE 189 CO 0.55 0.34 -0.19 -1.58 0.00 0.00 0.00 178.15 177.28 3pch s GLN 190 N -4.98 0.69 0.34 2.37 0.74 -1.26 -4.74 119.66 112.82 3pch s GLN 190 Ca -0.09 0.07 0.00 0.00 0.05 0.00 0.00 55.36 55.39 3pch s GLN 190 Cb 0.15 0.31 0.00 0.00 1.10 0.00 0.00 33.01 34.57 3pch s GLN 190 CO 0.80 -0.18 0.00 0.41 -0.55 0.00 0.00 175.29 175.78 3pch n GLY 191 N 1.61 -0.26 3.69 2.59 0.00 -1.26 -4.03 105.19 107.52 3pch n GLY 191 Ca -0.19 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 3pch n GLY 191 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pch s GLU 192 N 0.00 4.15 -0.69 1.61 2.12 -1.26 -1.21 118.70 123.41 3pch s GLU 192 Ca 0.00 2.55 0.00 0.00 0.36 0.00 0.00 54.97 57.88 3pch s GLU 192 Cb 0.00 -3.56 0.00 0.00 0.26 0.00 0.00 34.13 30.83 3pch s GLU 192 CO 0.00 -0.82 0.00 0.41 -0.54 0.00 0.00 175.26 174.31 3pch n GLY 193 N 4.18 0.81 3.64 -1.50 0.00 -1.26 -4.94 105.19 106.11 3pch n GLY 193 Ca 0.17 -0.74 -0.48 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.69 1.72 -2.24 1.61 2.13 -0.35 -4.60 120.64 116.22 3pch n GLU 194 Ca -0.07 0.62 -0.41 0.00 0.66 0.00 0.00 57.16 57.97 3pch n GLU 194 Cb 0.25 -2.29 -0.03 0.00 0.27 0.00 0.00 31.44 29.64 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 0.45 2.99 0.17 6.31 2.01 0.75 -4.95 115.64 123.37 3pch s THR 195 Ca 0.77 0.99 -0.30 0.00 0.31 0.00 0.00 61.69 63.46 3pch s THR 195 Cb -0.77 -3.63 -0.08 0.00 0.01 0.00 0.00 72.50 68.03 3pch s THR 195 CO 0.45 0.23 1.29 -0.69 -0.69 0.00 0.00 174.62 175.21 3pch s VAL 196 N -1.06 3.36 0.09 3.82 1.01 -1.26 -4.92 120.40 121.43 3pch s VAL 196 Ca 0.48 1.08 0.10 0.00 0.00 0.00 0.00 61.98 63.64 3pch s VAL 196 Cb -0.37 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 3pch s VAL 196 CO 0.48 0.15 -0.25 -0.36 0.00 0.00 0.00 175.10 175.12 3pch s PHE 197 N 0.31 2.16 0.29 5.22 0.08 -1.26 -4.65 117.98 120.13 3pch s PHE 197 Ca 0.57 -0.39 0.09 0.00 0.12 0.00 0.00 56.93 57.32 3pch s PHE 197 Cb -0.35 -1.22 -0.04 0.00 -0.57 0.00 0.00 43.02 40.83 3pch s PHE 197 CO 0.36 0.22 0.06 -0.06 -0.10 0.00 0.00 175.22 175.70 3pch s PHE 198 N -0.97 2.73 -0.03 0.36 0.08 0.41 -5.00 117.98 115.57 3pch s PHE 198 Ca 0.11 -0.27 0.05 0.00 0.12 0.00 0.00 56.93 56.94 3pch s PHE 198 Cb -0.10 -1.37 -0.01 0.00 -0.57 0.00 0.00 43.02 40.97 3pch s PHE 198 CO 0.04 0.51 -0.19 0.34 -0.10 0.00 0.00 175.22 175.83 3pch s ASP 199 N -3.75 2.26 0.00 1.36 2.15 -1.26 -4.27 116.67 113.15 3pch s ASP 199 Ca 0.34 -0.36 0.00 0.00 0.43 0.00 0.00 52.55 52.96 3pch s ASP 199 Cb -0.05 -0.45 0.00 0.00 -0.30 0.00 0.00 42.92 42.12 3pch s ASP 199 CO 0.21 0.20 0.00 2.22 -0.17 0.00 0.00 175.17 177.63