#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pck s ILE 2 N 0.00 4.61 -0.13 4.25 -1.09 -1.26 -5.04 121.20 122.55 3pck s ILE 2 Ca 0.00 1.88 0.01 0.00 -2.23 0.00 0.00 60.65 60.31 3pck s ILE 2 Cb 0.00 -4.20 -0.01 0.00 -1.58 0.00 0.00 42.46 36.67 3pck s ILE 2 CO 0.00 0.13 -0.17 -1.61 -1.23 0.00 0.00 174.94 172.07 3pck s GLU 3 N 1.12 3.26 0.70 2.79 0.41 -1.26 -5.14 118.70 120.59 3pck s GLU 3 Ca 0.54 -0.75 -0.05 0.00 -0.41 0.00 0.00 54.97 54.29 3pck s GLU 3 Cb -0.23 -2.53 0.15 0.00 -1.78 0.00 0.00 34.13 29.73 3pck s GLU 3 CO 0.28 0.17 0.95 1.28 -0.49 0.00 0.00 175.26 177.45 3pck n LEU 4 N 3.61 0.00 -4.77 1.80 4.32 -1.26 -5.04 117.00 115.65 3pck n LEU 4 Ca -0.19 -1.58 -0.36 0.00 -0.02 0.00 0.00 56.01 53.86 3pck n LEU 4 Cb 0.53 -0.67 -0.01 0.00 -1.62 0.00 0.00 43.42 41.65 3pck n LEU 4 CO 0.30 -1.06 0.80 -0.76 -1.22 0.00 0.00 177.39 175.44 3pck s LEU 5 N 0.00 3.93 0.25 2.23 1.43 -1.26 -4.96 118.68 120.29 3pck s LEU 5 Ca 0.59 2.21 -0.30 0.00 -1.03 0.00 0.00 54.13 55.61 3pck s LEU 5 Cb -0.03 -4.37 -0.09 0.00 0.03 0.00 0.00 46.19 41.74 3pck s LEU 5 CO 0.40 -0.96 1.01 -2.16 0.23 0.00 0.00 176.35 174.87 3pck s PRO 6 N -2.90 4.76 0.45 1.29 0.05 -1.26 -5.01 135.00 132.38 3pck s PRO 6 Ca 0.66 1.61 -0.24 0.00 0.05 0.00 0.00 61.00 63.09 3pck s PRO 6 Cb -0.26 -3.25 -0.07 0.00 0.05 0.00 0.00 34.50 30.97 3pck s PRO 6 CO 0.30 0.37 1.22 -2.00 0.05 0.00 0.00 177.00 176.95 3pck s GLU 7 N -1.19 3.77 0.16 4.56 2.12 -1.26 -4.93 118.70 121.94 3pck s GLU 7 Ca 0.43 1.94 -0.31 0.00 0.36 0.00 0.00 54.97 57.38 3pck s GLU 7 Cb -0.28 -2.51 -0.11 0.00 0.26 0.00 0.00 34.13 31.48 3pck s GLU 7 CO 0.35 -0.59 1.74 0.99 -0.54 0.00 0.00 175.26 177.21 3pck s THR 8 N -1.42 2.35 0.32 -1.70 2.01 -1.26 -4.94 115.64 111.00 3pck s THR 8 Ca 0.62 0.12 -0.29 0.00 0.31 0.00 0.00 61.69 62.45 3pck s THR 8 Cb -0.33 -3.07 -0.10 0.00 0.01 0.00 0.00 72.50 69.00 3pck s THR 8 CO 0.41 0.01 1.35 -2.84 -0.69 0.00 0.00 174.62 172.85 3pck s PRO 9 N 1.82 4.32 0.70 4.92 0.02 -1.26 -5.02 135.00 140.50 3pck s PRO 9 Ca 0.76 2.27 -0.11 0.00 0.02 0.00 0.00 61.00 63.94 3pck s PRO 9 Cb -0.47 -3.07 0.01 0.00 0.02 0.00 0.00 34.50 31.00 3pck s PRO 9 CO 0.33 -0.26 1.06 0.45 -0.33 0.00 0.00 177.00 178.26 3pck s SER 10 N -0.31 5.28 0.05 2.53 0.15 -1.26 -5.08 113.70 115.05 3pck s SER 10 Ca 0.51 1.66 -0.11 0.00 0.70 0.00 0.00 55.95 58.70 3pck s SER 10 Cb -0.41 -2.50 0.01 0.00 -1.71 0.00 0.00 66.02 61.41 3pck s SER 10 CO 0.52 -1.51 0.24 -1.10 1.20 0.00 0.00 173.24 172.60 3pck s GLN 11 N -4.98 0.77 0.62 5.44 -1.52 -1.17 -4.89 119.66 113.93 3pck s GLN 11 Ca 0.59 -0.63 -0.18 0.00 -1.95 0.00 0.00 55.36 53.18 3pck s GLN 11 Cb -0.15 0.32 -0.03 0.00 -0.22 0.00 0.00 33.01 32.94 3pck s GLN 11 CO 0.54 -0.24 1.19 -2.37 -0.25 0.00 0.00 175.29 174.16 3pck n THR 12 N 0.52 4.44 0.17 -0.19 5.66 -1.23 -4.78 114.28 118.87 3pck n THR 12 Ca -0.18 -0.50 0.02 0.00 -3.05 0.00 0.00 64.05 60.34 3pck n THR 12 Cb 0.60 -1.39 0.27 0.00 -1.55 0.00 0.00 70.33 68.26 3pck n THR 12 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3pck h ALA 13 N 0.60 1.04 0.00 1.79 0.00 -1.75 -3.50 119.26 117.45 3pck h ALA 13 Ca -0.50 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 53.98 3pck h ALA 13 Cb 1.34 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3pck h ALA 13 CO 0.53 0.60 0.00 0.41 0.00 0.00 0.00 179.25 180.78 3pck n GLY 14 N 0.13 -0.80 0.21 0.00 0.00 -1.26 -4.08 105.19 99.39 3pck n GLY 14 Ca -0.01 -1.68 0.08 0.00 0.00 0.00 0.00 46.02 44.41 3pck n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3pck h PRO 15 N 0.00 0.00 -0.64 1.61 0.13 -1.93 -3.23 132.00 127.94 3pck h PRO 15 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3pck h PRO 15 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3pck h PRO 15 CO 0.00 0.28 0.00 0.66 -0.23 0.00 0.00 178.00 178.71 3pck n TYR 16 N -3.55 1.32 -0.35 1.56 4.01 -1.26 -4.65 117.16 114.24 3pck n TYR 16 Ca -0.01 -0.50 0.28 0.00 -0.16 0.00 0.00 57.90 57.51 3pck n TYR 16 Cb 0.42 -0.27 0.57 0.00 -0.31 0.00 0.00 39.34 39.76 3pck n TYR 16 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 3pck h VAL 17 N 3.24 0.41 -0.68 -0.72 3.04 -1.70 -2.35 116.25 117.50 3pck h VAL 17 Ca 0.00 -0.09 0.13 0.00 -1.01 0.00 0.00 66.70 65.72 3pck h VAL 17 Cb 1.34 0.11 -0.09 0.00 -2.01 0.00 0.00 31.29 30.64 3pck h VAL 17 CO 0.24 0.05 0.22 0.45 -1.01 0.00 0.00 177.57 177.52 3pck h HIS 18 N 0.27 0.36 -0.77 3.17 3.86 -1.85 0.26 115.15 120.45 3pck h HIS 18 Ca 0.65 0.04 0.18 0.00 -1.16 0.00 0.00 60.37 60.07 3pck h HIS 18 Cb 1.87 -0.06 -0.05 0.00 1.06 0.00 0.00 27.41 30.23 3pck h HIS 18 CO -0.00 0.02 0.53 -0.84 0.86 0.00 0.00 177.93 178.49 3pck h ILE 19 N 0.36 0.73 0.10 2.45 3.07 -1.64 0.95 117.51 123.52 3pck h ILE 19 Ca 0.36 -0.10 -0.36 0.00 1.55 0.00 0.00 64.86 66.31 3pck h ILE 19 Cb 0.54 0.40 -0.03 0.00 -0.27 0.00 0.00 36.82 37.47 3pck h ILE 19 CO -0.40 0.05 -2.01 0.61 -1.05 0.00 0.00 178.15 175.35 3pck n GLY 20 N -1.56 -0.60 0.00 0.16 0.00 -0.31 -4.60 105.19 98.28 3pck n GLY 20 Ca 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3pck n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3pck n LEU 21 N -3.40 0.81 -2.90 0.99 4.77 -0.07 -4.82 117.00 112.38 3pck n LEU 21 Ca -0.31 -0.87 -0.13 0.00 -0.03 0.00 0.00 56.01 54.68 3pck n LEU 21 Cb 1.05 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 42.17 3pck n LEU 21 CO 0.42 0.20 0.11 0.00 -1.33 0.00 0.00 177.39 176.79 3pck n ALA 22 N -0.12 0.19 -0.31 -1.18 0.00 0.32 -4.96 120.51 114.45 3pck n ALA 22 Ca 0.00 -2.17 0.01 0.00 0.00 0.00 0.00 53.44 51.29 3pck n ALA 22 Cb 0.02 -1.09 0.08 0.00 0.00 0.00 0.00 19.45 18.46 3pck n ALA 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3pck h LEU 23 N 3.19 -1.02 -0.16 0.00 4.07 -1.61 0.19 115.31 119.97 3pck h LEU 23 Ca -0.03 0.27 0.05 0.00 0.08 0.00 0.00 57.88 58.25 3pck h LEU 23 Cb 1.04 0.60 -0.07 0.00 1.08 0.00 0.00 40.66 43.31 3pck h LEU 23 CO 0.29 -0.29 -0.35 1.05 -1.08 0.00 0.00 178.44 178.05 3pck h GLU 24 N -0.03 -0.40 -0.95 1.13 -0.00 -1.87 -1.63 114.58 110.84 3pck h GLU 24 Ca 0.38 0.03 0.10 0.00 -0.00 0.00 0.00 59.36 59.86 3pck h GLU 24 Cb 0.62 0.09 -0.07 0.00 -0.00 0.00 0.00 28.75 29.39 3pck h GLU 24 CO -0.89 -0.27 0.61 0.00 -0.00 0.00 0.00 179.01 178.46 3pck h ALA 25 N 0.35 1.56 0.00 1.06 0.00 -1.35 0.32 119.26 121.21 3pck h ALA 25 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3pck h ALA 25 Cb 0.57 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3pck h ALA 25 CO -0.39 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.10 3pck h ALA 26 N 1.53 1.00 -0.42 0.00 0.00 -0.27 -3.45 119.26 117.64 3pck h ALA 26 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3pck h ALA 26 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3pck h ALA 26 CO -0.20 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.46 3pck n GLY 27 N -0.93 0.72 3.49 0.00 0.00 0.11 -4.96 105.19 103.63 3pck n GLY 27 Ca -0.02 -0.73 -0.25 0.00 0.00 0.00 0.00 46.02 45.03 3pck n GLY 27 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3pck s ASN 28 N -2.92 3.72 0.40 1.61 0.01 -0.91 -5.05 114.94 111.80 3pck s ASN 28 Ca 0.00 -0.92 -0.27 0.00 -0.71 0.00 0.00 52.86 50.96 3pck s ASN 28 Cb 0.00 -0.39 -0.10 0.00 0.41 0.00 0.00 41.25 41.17 3pck s ASN 28 CO 0.00 0.06 1.46 -2.16 -1.51 0.00 0.00 177.10 174.94 3pck s PRO 29 N -3.31 3.97 0.50 -0.60 0.04 -1.26 -3.97 135.00 130.36 3pck s PRO 29 Ca 0.28 2.50 0.06 0.00 0.04 0.00 0.00 61.00 63.88 3pck s PRO 29 Cb -0.06 -2.86 0.04 0.00 0.04 0.00 0.00 34.50 31.66 3pck s PRO 29 CO 0.15 -0.62 0.69 0.95 0.04 0.00 0.00 177.00 178.21 3pck s THR 30 N -1.15 2.70 0.43 1.26 -4.23 -1.26 -4.87 115.64 108.52 3pck s THR 30 Ca 0.56 -0.88 0.05 0.00 -1.18 0.00 0.00 61.69 60.24 3pck s THR 30 Cb -0.45 -2.81 0.08 0.00 1.34 0.00 0.00 72.50 70.65 3pck s THR 30 CO 0.60 0.00 0.60 0.54 -0.54 0.00 0.00 174.62 175.82 3pck n ARG 31 N -2.12 0.59 0.02 3.99 1.74 -1.26 -5.02 116.66 114.60 3pck n ARG 31 Ca 0.10 -2.15 -0.10 0.00 -0.77 0.00 0.00 57.85 54.93 3pck n ARG 31 Cb 0.60 -0.23 -0.04 0.00 -1.02 0.00 0.00 32.46 31.76 3pck n ARG 31 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3pck h ASP 32 N -0.03 -0.28 -3.71 0.55 3.32 -2.07 -3.41 116.42 110.80 3pck h ASP 32 Ca -0.20 0.05 -0.68 0.00 0.02 0.00 0.00 57.03 56.23 3pck h ASP 32 Cb 0.88 0.13 -0.28 0.00 0.22 0.00 0.00 39.33 40.28 3pck h ASP 32 CO 0.27 -0.12 -0.81 -1.10 -1.72 0.00 0.00 179.24 175.75 3pck s GLN 33 N -6.17 2.88 -0.00 3.56 -0.21 -1.26 -5.12 119.66 113.34 3pck s GLN 33 Ca -0.14 -0.78 0.01 0.00 0.02 0.00 0.00 55.36 54.48 3pck s GLN 33 Cb 0.09 -2.39 -0.00 0.00 1.00 0.00 0.00 33.01 31.70 3pck s GLN 33 CO 0.67 0.36 -0.05 -1.21 -2.12 0.00 0.00 175.29 172.95 3pck s GLU 34 N -0.07 0.37 -0.32 2.91 0.41 -1.26 -5.12 118.70 115.61 3pck s GLU 34 Ca -0.04 -0.20 -0.22 0.00 -0.41 0.00 0.00 54.97 54.10 3pck s GLU 34 Cb -0.14 -0.34 0.00 0.00 -1.78 0.00 0.00 34.13 31.87 3pck s GLU 34 CO 0.04 0.09 0.73 0.42 -0.49 0.00 0.00 175.26 176.05 3pck s ILE 35 N -0.19 4.83 0.00 -1.63 1.01 -1.26 -4.99 121.20 118.97 3pck s ILE 35 Ca 0.01 0.97 0.00 0.00 0.00 0.00 0.00 60.65 61.63 3pck s ILE 35 Cb -0.02 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 38.33 3pck s ILE 35 CO -0.00 -0.27 0.00 1.87 0.00 0.00 0.00 174.94 176.54 3pck n TRP 36 N 6.15 0.00 -0.33 3.97 -0.00 -1.26 -4.60 117.44 121.37 3pck n TRP 36 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.52 3pck n TRP 36 Cb 0.48 0.00 0.24 0.00 -0.00 0.00 0.00 31.31 32.04 3pck n TRP 36 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 3pck n ASN 37 N 0.00 4.07 -4.03 5.87 6.94 -0.53 -1.61 115.26 125.97 3pck n ASN 37 Ca 0.00 -2.73 -0.32 0.00 -0.02 0.00 0.00 54.58 51.51 3pck n ASN 37 Cb 0.00 -0.65 -0.14 0.00 -2.36 0.00 0.00 39.78 36.63 3pck n ASN 37 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 3pck s ARG 38 N -2.20 1.67 0.08 -3.83 3.52 -1.26 -0.45 118.95 116.48 3pck s ARG 38 Ca 0.37 -1.97 0.00 0.00 -0.13 0.00 0.00 55.73 54.00 3pck s ARG 38 Cb 0.29 -3.31 -0.26 0.00 -1.56 0.00 0.00 34.95 30.11 3pck s ARG 38 CO 0.10 -0.99 1.16 -0.07 -0.81 0.00 0.00 175.30 174.69 3pck h LEU 39 N 7.55 0.26 -8.59 -0.88 4.07 -0.14 -3.46 115.31 114.12 3pck h LEU 39 Ca -0.06 -0.29 -0.68 0.00 0.08 0.00 0.00 57.88 56.93 3pck h LEU 39 Cb 1.01 -0.09 -0.30 0.00 1.08 0.00 0.00 40.66 42.37 3pck h LEU 39 CO 0.58 1.23 -0.88 0.00 -1.08 0.00 0.00 178.44 178.28 3pck s ALA 40 N -2.67 2.10 0.39 1.53 0.00 -1.22 -0.28 121.76 121.61 3pck s ALA 40 Ca -0.03 -1.10 -0.16 0.00 0.00 0.00 0.00 51.96 50.68 3pck s ALA 40 Cb 0.08 -0.53 -0.09 0.00 0.00 0.00 0.00 23.12 22.59 3pck s ALA 40 CO 0.86 0.51 0.83 0.15 0.00 0.00 0.00 175.76 178.11 3pck s LYS 41 N -0.64 4.01 0.55 0.00 1.02 0.39 -4.81 119.74 120.26 3pck s LYS 41 Ca 0.10 0.79 0.39 0.00 0.02 0.00 0.00 55.97 57.27 3pck s LYS 41 Cb -0.10 -2.32 1.57 0.00 -0.52 0.00 0.00 37.83 36.46 3pck s LYS 41 CO -0.01 0.01 1.75 -1.35 -0.92 0.00 0.00 175.35 174.83 3pck h PRO 42 N 1.79 0.00 -0.75 -1.68 0.11 -2.00 0.73 132.00 130.20 3pck h PRO 42 Ca -0.48 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3pck h PRO 42 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3pck h PRO 42 CO 0.63 0.00 0.01 -0.40 -0.21 0.00 0.00 178.00 178.03 3pck n ASP 43 N -4.08 3.90 -4.76 -2.05 5.75 -1.26 -4.88 116.55 109.17 3pck n ASP 43 Ca 0.28 -2.58 -0.40 0.00 -0.01 0.00 0.00 54.79 52.09 3pck n ASP 43 Cb 1.38 -0.62 -0.05 0.00 -1.03 0.00 0.00 41.12 40.80 3pck n ASP 43 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3pck s ALA 44 N -2.08 3.42 0.54 2.12 0.00 0.26 -5.02 121.76 121.00 3pck s ALA 44 Ca 0.33 0.28 -0.21 0.00 0.00 0.00 0.00 51.96 52.36 3pck s ALA 44 Cb 0.26 -2.94 -0.05 0.00 0.00 0.00 0.00 23.12 20.39 3pck s ALA 44 CO 0.10 0.17 1.28 -1.25 0.00 0.00 0.00 175.76 176.06 3pck s PRO 45 N -0.51 3.20 0.00 0.00 0.04 -1.26 -4.87 135.00 131.59 3pck s PRO 45 Ca 0.36 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.43 3pck s PRO 45 Cb -0.21 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.14 3pck s PRO 45 CO 0.23 -1.08 0.00 0.41 0.04 0.00 0.00 177.00 176.60 3pck n GLY 46 N 0.63 1.24 3.57 0.56 0.00 -1.26 -4.63 105.19 105.30 3pck n GLY 46 Ca 0.11 -2.18 -0.43 0.00 0.00 0.00 0.00 46.02 43.52 3pck n GLY 46 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pck s GLU 47 N -1.41 3.57 0.25 1.61 2.12 -1.26 -4.96 118.70 118.62 3pck s GLU 47 Ca 0.00 0.24 -0.30 0.00 0.36 0.00 0.00 54.97 55.27 3pck s GLU 47 Cb 0.00 -3.92 -0.09 0.00 0.26 0.00 0.00 34.13 30.38 3pck s GLU 47 CO 0.00 -1.25 1.23 -1.01 -0.54 0.00 0.00 175.26 173.69 3pck s HIS 48 N 3.87 3.33 0.09 5.30 3.76 -1.26 -1.16 115.29 129.23 3pck s HIS 48 Ca 0.39 1.44 -0.08 0.00 -0.15 0.00 0.00 55.06 56.67 3pck s HIS 48 Cb -0.10 -3.50 -0.01 0.00 1.11 0.00 0.00 32.58 30.09 3pck s HIS 48 CO 0.27 -1.36 0.17 0.96 -0.85 0.00 0.00 174.74 173.94 3pck s ILE 49 N -0.57 0.14 -0.15 0.60 -4.36 0.18 -4.70 121.20 112.34 3pck s ILE 49 Ca 0.51 -1.28 -0.01 0.00 -0.26 0.00 0.00 60.65 59.61 3pck s ILE 49 Cb -0.35 -1.43 -0.01 0.00 1.25 0.00 0.00 42.46 41.92 3pck s ILE 49 CO 0.42 -0.65 -0.11 -0.22 0.24 0.00 0.00 174.94 174.62 3pck s LEU 50 N -2.88 2.76 -0.04 0.37 2.96 -0.56 -2.05 118.68 119.24 3pck s LEU 50 Ca 0.07 -0.33 0.04 0.00 -0.22 0.00 0.00 54.13 53.69 3pck s LEU 50 Cb 0.05 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 45.08 3pck s LEU 50 CO -0.10 0.13 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.15 3pck s LEU 51 N 0.55 2.66 0.11 -0.68 1.43 -0.43 -0.82 118.68 121.50 3pck s LEU 51 Ca -0.07 -0.23 -0.13 0.00 -1.03 0.00 0.00 54.13 52.66 3pck s LEU 51 Cb -0.15 -1.53 0.02 0.00 0.03 0.00 0.00 46.19 44.55 3pck s LEU 51 CO 0.04 0.34 0.33 -1.48 0.23 0.00 0.00 176.35 175.80 3pck s LEU 52 N -0.76 0.77 0.00 1.79 -0.00 -0.63 -1.33 118.68 118.51 3pck s LEU 52 Ca 0.12 -0.42 0.00 0.00 -0.00 0.00 0.00 54.13 53.82 3pck s LEU 52 Cb -0.11 1.55 0.00 0.00 -0.00 0.00 0.00 46.19 47.63 3pck s LEU 52 CO 0.01 -0.80 0.00 0.61 -0.00 0.00 0.00 176.35 176.17 3pck n GLY 53 N -0.13 0.64 3.58 -3.48 0.00 -0.94 -0.28 105.19 104.58 3pck n GLY 53 Ca -0.16 -0.85 -0.24 0.00 0.00 0.00 0.00 46.02 44.77 3pck n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3pck s GLN 54 N -2.00 1.97 -0.07 1.61 -0.21 -1.26 -1.32 119.66 118.39 3pck s GLN 54 Ca 0.00 -1.73 0.03 0.00 0.02 0.00 0.00 55.36 53.69 3pck s GLN 54 Cb 0.00 -1.89 0.01 0.00 1.00 0.00 0.00 33.01 32.12 3pck s GLN 54 CO 0.00 0.22 -0.17 0.08 -2.12 0.00 0.00 175.29 173.31 3pck s VAL 55 N -2.50 1.45 0.05 1.09 1.01 -1.26 -0.88 120.40 119.36 3pck s VAL 55 Ca 0.33 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.70 3pck s VAL 55 Cb -0.02 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 3pck s VAL 55 CO 0.18 0.42 -0.18 -0.31 0.00 0.00 0.00 175.10 175.22 3pck s TYR 56 N 0.41 2.57 0.79 5.22 2.02 0.55 -0.23 117.35 128.67 3pck s TYR 56 Ca -0.13 -0.25 -0.04 0.00 -0.37 0.00 0.00 57.07 56.28 3pck s TYR 56 Cb -0.15 -1.45 0.15 0.00 -0.40 0.00 0.00 41.96 40.11 3pck s TYR 56 CO 0.05 0.28 1.08 0.16 -1.57 0.00 0.00 175.55 175.55 3pck s ASP 57 N -1.55 3.98 0.50 2.29 1.47 0.00 -1.64 116.67 121.73 3pck s ASP 57 Ca 0.15 -0.29 0.34 0.00 1.18 0.00 0.00 52.55 53.93 3pck s ASP 57 Cb -0.11 0.04 1.76 0.00 -0.34 0.00 0.00 42.92 44.27 3pck s ASP 57 CO 0.06 -2.12 2.03 1.23 0.68 0.00 0.00 175.17 177.05 3pck h GLY 58 N -0.82 0.00 0.50 2.12 0.00 -1.89 -1.48 103.07 101.51 3pck h GLY 58 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3pck h GLY 58 CO 0.38 0.00 -0.56 0.70 0.00 0.00 0.00 176.54 177.05 3pck n ASN 59 N -2.73 0.81 0.00 0.19 3.02 -1.26 -4.75 115.26 110.54 3pck n ASN 59 Ca -0.02 -0.62 0.00 0.00 -0.03 0.00 0.00 54.58 53.92 3pck n ASN 59 Cb 0.10 0.41 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 3pck n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pck n GLY 60 N 1.47 0.75 3.84 7.41 0.00 -0.56 -5.06 105.19 113.05 3pck n GLY 60 Ca 0.07 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 3pck n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3pck s HIS 61 N -2.00 3.67 0.38 1.61 3.76 -1.26 -4.82 115.29 116.62 3pck s HIS 61 Ca 0.00 0.98 -0.27 0.00 -0.15 0.00 0.00 55.06 55.62 3pck s HIS 61 Cb 0.00 -2.29 -0.09 0.00 1.11 0.00 0.00 32.58 31.31 3pck s HIS 61 CO 0.00 0.55 1.31 -0.51 -0.85 0.00 0.00 174.74 175.24 3pck s LEU 62 N -1.53 4.30 -0.44 0.89 1.43 -1.26 -0.82 118.68 121.25 3pck s LEU 62 Ca 0.30 2.67 -0.15 0.00 -1.03 0.00 0.00 54.13 55.93 3pck s LEU 62 Cb -0.16 -3.80 0.05 0.00 0.03 0.00 0.00 46.19 42.31 3pck s LEU 62 CO 0.17 -0.72 0.34 -0.69 0.23 0.00 0.00 176.35 175.67 3pck s VAL 63 N -1.21 5.13 -2.28 -1.59 1.01 0.68 -4.84 120.40 117.30 3pck s VAL 63 Ca 0.54 -0.93 0.27 0.00 0.00 0.00 0.00 61.98 61.86 3pck s VAL 63 Cb -0.39 -3.99 0.44 0.00 0.00 0.00 0.00 36.38 32.44 3pck s VAL 63 CO 0.51 -0.46 1.66 0.54 0.00 0.00 0.00 175.10 177.35 3pck n ARG 64 N 5.16 1.42 -0.24 2.72 1.74 -1.26 -4.07 116.66 122.13 3pck n ARG 64 Ca -0.12 -0.86 0.09 0.00 -0.77 0.00 0.00 57.85 56.19 3pck n ARG 64 Cb 0.45 -1.48 0.16 0.00 -1.02 0.00 0.00 32.46 30.57 3pck n ARG 64 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3pck n ASP 65 N -0.04 2.14 -4.85 0.55 5.68 -1.26 -3.88 116.55 114.89 3pck n ASP 65 Ca 0.16 -3.34 -0.32 0.00 -0.50 0.00 0.00 54.79 50.79 3pck n ASP 65 Cb 0.36 -0.46 -0.03 0.00 -1.14 0.00 0.00 41.12 39.85 3pck n ASP 65 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3pck s SER 66 N -2.99 6.60 -0.04 -1.12 1.04 -1.26 -4.59 113.70 111.35 3pck s SER 66 Ca 0.34 1.50 0.00 0.00 0.48 0.00 0.00 55.95 58.27 3pck s SER 66 Cb 0.31 -2.48 0.03 0.00 0.10 0.00 0.00 66.02 63.98 3pck s SER 66 CO -0.00 -0.56 -0.01 0.12 0.98 0.00 0.00 173.24 173.76 3pck s PHE 67 N -2.60 0.44 0.12 5.02 5.36 -0.37 -2.43 117.98 123.52 3pck s PHE 67 Ca 0.58 -0.06 0.09 0.00 -0.96 0.00 0.00 56.93 56.58 3pck s PHE 67 Cb -0.10 -0.49 -0.04 0.00 -0.34 0.00 0.00 43.02 42.05 3pck s PHE 67 CO 0.32 -0.15 -0.22 -0.51 -1.46 0.00 0.00 175.22 173.19 3pck s LEU 68 N 1.04 2.32 -0.02 6.12 1.02 -0.37 0.07 118.68 128.86 3pck s LEU 68 Ca -0.09 -0.72 0.05 0.00 0.02 0.00 0.00 54.13 53.38 3pck s LEU 68 Cb -0.14 -0.96 -0.01 0.00 0.02 0.00 0.00 46.19 45.10 3pck s LEU 68 CO -0.01 0.08 -0.16 -1.61 0.02 0.00 0.00 176.35 174.66 3pck s GLU 69 N -2.04 1.37 0.07 1.70 2.02 -0.73 -1.51 118.70 119.57 3pck s GLU 69 Ca 0.09 -0.58 0.07 0.00 0.02 0.00 0.00 54.97 54.57 3pck s GLU 69 Cb -0.10 -1.30 -0.03 0.00 0.10 0.00 0.00 34.13 32.81 3pck s GLU 69 CO 0.05 0.33 -0.19 0.14 0.02 0.00 0.00 175.26 175.61 3pck s VAL 70 N -0.31 1.50 -0.10 2.63 -7.23 -0.64 -1.72 120.40 114.52 3pck s VAL 70 Ca 0.05 -1.29 -0.04 0.00 -1.81 0.00 0.00 61.98 58.88 3pck s VAL 70 Cb -0.07 -1.35 0.05 0.00 0.56 0.00 0.00 36.38 35.57 3pck s VAL 70 CO -0.00 0.01 0.20 0.86 -0.31 0.00 0.00 175.10 175.86 3pck s TRP 71 N -1.00 -0.26 0.13 2.82 -0.11 -0.33 -2.36 118.94 117.83 3pck s TRP 71 Ca 0.05 0.74 -0.10 0.00 1.22 0.00 0.00 56.10 58.01 3pck s TRP 71 Cb -0.09 -0.18 -0.00 0.00 -1.50 0.00 0.00 33.47 31.69 3pck s TRP 71 CO 0.03 -0.30 0.25 1.14 -4.62 0.00 0.00 176.95 173.45 3pck s GLN 72 N 2.33 1.00 0.51 5.86 -2.07 -0.23 -0.91 119.66 126.16 3pck s GLN 72 Ca 0.02 -1.03 -0.08 0.00 -1.82 0.00 0.00 55.36 52.46 3pck s GLN 72 Cb -0.12 0.37 -0.04 0.00 -1.09 0.00 0.00 33.01 32.13 3pck s GLN 72 CO -0.07 -0.35 0.87 0.00 -1.32 0.00 0.00 175.29 174.42 3pck s ALA 73 N -3.90 3.29 1.00 2.60 0.00 -1.26 -4.52 121.76 118.96 3pck s ALA 73 Ca 0.10 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.76 3pck s ALA 73 Cb 0.04 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.38 3pck s ALA 73 CO -0.06 -0.39 0.00 -0.40 0.00 0.00 0.00 175.76 174.90 3pck n ASP 74 N -2.22 -0.08 0.14 0.00 5.68 0.26 -4.27 116.55 116.06 3pck n ASP 74 Ca 0.03 -0.29 0.01 0.00 -0.50 0.00 0.00 54.79 54.04 3pck n ASP 74 Cb 0.55 0.00 0.32 0.00 -1.14 0.00 0.00 41.12 40.85 3pck n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3pck h ALA 75 N -2.00 1.32 -0.28 2.12 0.00 -1.82 0.46 119.26 119.06 3pck h ALA 75 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3pck h ALA 75 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3pck h ALA 75 CO 0.00 0.49 0.00 0.09 0.00 0.00 0.00 179.25 179.83 3pck n ASN 76 N -4.10 2.20 -2.17 0.00 3.02 -1.26 -3.49 115.26 109.46 3pck n ASN 76 Ca -0.02 -2.16 -0.14 0.00 -0.03 0.00 0.00 54.58 52.24 3pck n ASN 76 Cb 0.41 -0.36 0.04 0.00 -0.61 0.00 0.00 39.78 39.25 3pck n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pck n GLY 77 N 0.68 0.05 3.26 7.41 0.00 -1.02 -4.84 105.19 110.72 3pck n GLY 77 Ca 0.11 -0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 3pck n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pck s GLU 78 N -5.59 2.58 -0.32 1.61 2.12 -1.26 -4.69 118.70 113.16 3pck s GLU 78 Ca 0.29 -0.89 -0.20 0.00 0.36 0.00 0.00 54.97 54.53 3pck s GLU 78 Cb -0.13 -2.15 -0.01 0.00 0.26 0.00 0.00 34.13 32.10 3pck s GLU 78 CO 0.36 0.35 0.61 0.71 -0.54 0.00 0.00 175.26 176.75 3pck s TYR 79 N -0.09 3.20 -0.79 5.30 2.02 -1.26 0.92 117.35 126.65 3pck s TYR 79 Ca -0.06 0.50 -0.15 0.00 -0.37 0.00 0.00 57.07 56.99 3pck s TYR 79 Cb -0.14 -3.00 0.19 0.00 -0.40 0.00 0.00 41.96 38.61 3pck s TYR 79 CO 0.04 -0.50 0.78 -0.65 -1.57 0.00 0.00 175.55 173.66 3pck s GLN 80 N 2.59 3.50 0.26 -0.62 -1.52 -1.26 -4.86 119.66 117.74 3pck s GLN 80 Ca 0.24 -2.21 0.14 0.00 -1.95 0.00 0.00 55.36 51.58 3pck s GLN 80 Cb -0.15 -4.47 0.03 0.00 -0.22 0.00 0.00 33.01 28.20 3pck s GLN 80 CO 0.12 -1.38 1.42 0.38 -0.25 0.00 0.00 175.29 175.59 3pck h ASP 81 N 8.14 0.00 -1.31 5.90 2.03 -1.97 -3.28 116.42 125.93 3pck h ASP 81 Ca 0.04 0.00 -0.48 0.00 -0.73 0.00 0.00 57.03 55.87 3pck h ASP 81 Cb 1.05 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.48 3pck h ASP 81 CO 0.86 0.56 1.16 0.00 -1.03 0.00 0.00 179.24 180.79 3pck s ALA 82 N -2.93 2.30 0.14 4.15 0.00 -1.26 -4.93 121.76 119.22 3pck s ALA 82 Ca 0.04 -1.64 -0.31 0.00 0.00 0.00 0.00 51.96 50.05 3pck s ALA 82 Cb 0.08 -4.46 -0.08 0.00 0.00 0.00 0.00 23.12 18.65 3pck s ALA 82 CO 0.75 -4.00 1.37 -0.47 0.00 0.00 0.00 175.76 173.42 3pck s TYR 83 N 7.35 3.24 -0.29 0.00 5.04 -1.26 -5.01 117.35 126.43 3pck s TYR 83 Ca 0.55 1.02 -0.15 0.00 -2.44 0.00 0.00 57.07 56.05 3pck s TYR 83 Cb -0.05 -3.66 0.11 0.00 0.35 0.00 0.00 41.96 38.71 3pck s TYR 83 CO 0.01 -2.26 0.81 1.21 -1.34 0.00 0.00 175.55 173.98 3pck s ASN 84 N 0.90 -0.79 0.56 4.32 3.84 -1.26 -5.04 114.94 117.47 3pck s ASN 84 Ca 0.62 1.23 0.24 0.00 0.21 0.00 0.00 52.86 55.16 3pck s ASN 84 Cb -0.37 1.42 1.52 0.00 -0.55 0.00 0.00 41.25 43.27 3pck s ASN 84 CO 0.32 -0.19 2.13 -0.07 -2.79 0.00 0.00 177.10 176.51 3pck h LEU 85 N 6.78 0.00 -0.93 3.21 3.38 -1.98 -1.03 115.31 124.73 3pck h LEU 85 Ca -0.27 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.60 3pck h LEU 85 Cb 1.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 3pck h LEU 85 CO 0.16 0.00 -0.25 -0.33 0.09 0.00 0.00 178.44 178.12 3pck h GLU 86 N 0.00 0.49 -6.31 1.13 5.08 -2.00 -3.45 114.58 109.52 3pck h GLU 86 Ca 0.07 -0.18 -0.60 0.00 -1.00 0.00 0.00 59.36 57.64 3pck h GLU 86 Cb 0.30 -0.03 0.15 0.00 0.50 0.00 0.00 28.75 29.68 3pck h GLU 86 CO -0.00 0.70 -0.51 0.09 -1.00 0.00 0.00 179.01 178.29 3pck n ASN 87 N -4.12 -1.31 0.10 1.42 3.02 -0.39 -4.87 115.26 109.10 3pck n ASN 87 Ca -0.00 0.84 -0.03 0.00 -0.03 0.00 0.00 54.58 55.36 3pck n ASN 87 Cb 0.40 -1.08 0.03 0.00 -0.61 0.00 0.00 39.78 38.52 3pck n ASN 87 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3pck h ALA 88 N 0.58 0.64 -2.94 5.41 0.00 -1.87 -3.44 119.26 117.64 3pck h ALA 88 Ca -0.41 -0.71 -0.15 0.00 0.00 0.00 0.00 54.91 53.64 3pck h ALA 88 Cb 1.41 -0.13 -0.25 0.00 0.00 0.00 0.00 17.79 18.82 3pck h ALA 88 CO 0.49 0.98 -0.34 0.12 0.00 0.00 0.00 179.25 180.50 3pck s PHE 89 N -3.11 -0.37 -0.06 0.00 5.36 -1.26 0.15 117.98 118.70 3pck s PHE 89 Ca 0.00 0.89 0.03 0.00 -0.96 0.00 0.00 56.93 56.89 3pck s PHE 89 Cb 0.11 0.13 0.01 0.00 -0.34 0.00 0.00 43.02 42.92 3pck s PHE 89 CO 0.78 -0.18 -0.14 -0.80 -1.46 0.00 0.00 175.22 173.42 3pck s ASN 90 N 0.28 1.92 0.44 6.13 0.01 0.61 -4.97 114.94 119.37 3pck s ASN 90 Ca -0.01 -0.32 0.30 0.00 -0.71 0.00 0.00 52.86 52.12 3pck s ASN 90 Cb -0.03 -0.74 1.24 0.00 0.41 0.00 0.00 41.25 42.13 3pck s ASN 90 CO -0.01 0.08 1.89 0.28 -1.51 0.00 0.00 177.10 177.84 3pck h SER 91 N 6.66 0.00 -4.02 -1.22 0.02 -1.79 -3.44 113.55 109.77 3pck h SER 91 Ca -0.31 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 59.95 3pck h SER 91 Cb 1.18 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 63.50 3pck h SER 91 CO 0.48 0.00 -0.77 0.12 -1.14 0.00 0.00 176.83 175.51 3pck s PHE 92 N -3.54 2.68 0.24 3.45 5.36 -1.26 -1.07 117.98 123.84 3pck s PHE 92 Ca 0.02 -0.17 -0.11 0.00 -0.96 0.00 0.00 56.93 55.71 3pck s PHE 92 Cb 0.09 -1.60 -0.01 0.00 -0.34 0.00 0.00 43.02 41.16 3pck s PHE 92 CO 0.49 0.20 0.42 0.20 -1.46 0.00 0.00 175.22 175.06 3pck s GLY 93 N -0.87 0.69 0.02 13.12 0.00 -0.99 -4.85 107.32 114.45 3pck s GLY 93 Ca 0.12 -1.02 0.01 0.00 0.00 0.00 0.00 44.72 43.83 3pck s GLY 93 CO 0.02 -0.76 -0.04 0.50 0.00 0.00 0.00 173.10 172.82 3pck s ARG 94 N -4.04 0.32 0.15 2.90 0.52 -0.63 -1.63 118.95 116.54 3pck s ARG 94 Ca 0.25 -0.50 -0.14 0.00 -0.52 0.00 0.00 55.73 54.83 3pck s ARG 94 Cb 0.01 -0.06 0.02 0.00 0.52 0.00 0.00 34.95 35.44 3pck s ARG 94 CO 0.10 -0.00 0.37 -0.08 0.02 0.00 0.00 175.30 175.71 3pck s THR 95 N -1.06 0.07 0.05 0.02 -1.32 -0.57 -1.45 115.64 111.38 3pck s THR 95 Ca -0.10 -0.93 -0.08 0.00 -1.21 0.00 0.00 61.69 59.36 3pck s THR 95 Cb -0.07 -1.48 -0.00 0.00 -1.51 0.00 0.00 72.50 69.43 3pck s THR 95 CO -0.00 -0.31 0.17 0.00 -2.21 0.00 0.00 174.62 172.27 3pck s ALA 96 N -3.87 -0.25 -0.03 11.08 0.00 -1.26 -1.24 121.76 126.18 3pck s ALA 96 Ca 0.09 -0.44 -0.15 0.00 0.00 0.00 0.00 51.96 51.45 3pck s ALA 96 Cb 0.02 0.33 -0.05 0.00 0.00 0.00 0.00 23.12 23.42 3pck s ALA 96 CO -0.06 -0.40 0.41 0.95 0.00 0.00 0.00 175.76 176.66 3pck s THR 97 N -2.96 5.08 0.23 0.00 -4.23 -1.02 -4.24 115.64 108.51 3pck s THR 97 Ca -0.02 0.83 -0.32 0.00 -1.18 0.00 0.00 61.69 61.00 3pck s THR 97 Cb 0.01 -3.72 -0.13 0.00 1.34 0.00 0.00 72.50 70.00 3pck s THR 97 CO -0.06 0.52 1.55 0.35 -0.54 0.00 0.00 174.62 176.45 3pck n THR 98 N 2.25 0.62 0.26 3.99 -2.24 -1.00 -4.55 114.28 113.62 3pck n THR 98 Ca -0.13 -0.16 0.14 0.00 -2.27 0.00 0.00 64.05 61.63 3pck n THR 98 Cb 0.52 -1.72 0.67 0.00 -2.10 0.00 0.00 70.33 67.71 3pck n THR 98 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3pck h PHE 99 N 5.15 0.00 0.00 4.78 0.04 -1.95 -0.29 116.94 124.68 3pck h PHE 99 Ca -0.45 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.32 3pck h PHE 99 Cb 1.24 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.39 3pck h PHE 99 CO 0.59 0.00 0.00 -0.40 -0.60 0.00 0.00 178.31 177.90 3pck n ASP 100 N -2.46 0.00 -0.33 2.17 5.75 -1.26 -4.76 116.55 115.66 3pck n ASP 100 Ca -0.01 0.00 0.25 0.00 -0.01 0.00 0.00 54.79 55.03 3pck n ASP 100 Cb 0.11 0.00 0.49 0.00 -1.03 0.00 0.00 41.12 40.69 3pck n ASP 100 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3pck h ALA 101 N -2.00 1.89 -2.43 2.12 0.00 -1.99 -3.46 119.26 113.39 3pck h ALA 101 Ca 0.00 0.25 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 3pck h ALA 101 Cb 0.00 0.30 0.03 0.00 0.00 0.00 0.00 17.79 18.12 3pck h ALA 101 CO 0.00 -0.73 -0.16 0.41 0.00 0.00 0.00 179.25 178.77 3pck n GLY 102 N -1.31 0.45 3.36 0.00 0.00 -0.12 -4.92 105.19 102.65 3pck n GLY 102 Ca 0.32 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 3pck n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pck s GLU 103 N -4.84 1.60 0.25 1.61 2.12 -1.26 -4.43 118.70 113.75 3pck s GLU 103 Ca 0.07 -1.21 0.11 0.00 0.36 0.00 0.00 54.97 54.29 3pck s GLU 103 Cb -0.03 -1.92 -0.05 0.00 0.26 0.00 0.00 34.13 32.39 3pck s GLU 103 CO 0.17 0.48 -0.12 1.67 -0.54 0.00 0.00 175.26 176.91 3pck s TRP 104 N -0.92 2.48 0.01 5.30 1.48 -0.44 -2.38 118.94 124.47 3pck s TRP 104 Ca 0.13 -0.28 -0.09 0.00 -1.06 0.00 0.00 56.10 54.80 3pck s TRP 104 Cb -0.10 -1.11 0.00 0.00 -1.16 0.00 0.00 33.47 31.10 3pck s TRP 104 CO 0.04 0.64 0.17 0.95 -4.06 0.00 0.00 176.95 174.68 3pck s THR 105 N -2.26 0.09 -0.01 0.66 -4.23 -1.26 -2.22 115.64 106.41 3pck s THR 105 Ca 0.29 -0.74 -0.01 0.00 -1.18 0.00 0.00 61.69 60.05 3pck s THR 105 Cb -0.06 -0.58 -0.00 0.00 1.34 0.00 0.00 72.50 73.19 3pck s THR 105 CO 0.16 -0.41 0.02 -0.76 -0.54 0.00 0.00 174.62 173.10 3pck s LEU 106 N -1.58 1.94 -0.25 4.79 1.43 -0.44 -4.84 118.68 119.73 3pck s LEU 106 Ca -0.12 -0.02 -0.03 0.00 -1.03 0.00 0.00 54.13 52.93 3pck s LEU 106 Cb -0.06 0.10 0.01 0.00 0.03 0.00 0.00 46.19 46.27 3pck s LEU 106 CO 0.00 -0.05 -0.03 -1.00 0.23 0.00 0.00 176.35 175.51 3pck s HIS 107 N -0.18 3.05 0.00 0.29 3.76 0.41 -1.31 115.29 121.31 3pck s HIS 107 Ca -0.02 -1.26 0.00 0.00 -0.15 0.00 0.00 55.06 53.63 3pck s HIS 107 Cb -0.01 -2.11 0.00 0.00 1.11 0.00 0.00 32.58 31.56 3pck s HIS 107 CO -0.00 -0.65 0.00 -2.37 -0.85 0.00 0.00 174.74 170.87 3pck n THR 108 N 4.75 0.00 -4.21 1.30 5.66 -0.87 0.59 114.28 121.49 3pck n THR 108 Ca -0.17 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.65 3pck n THR 108 Cb 0.48 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.15 3pck n THR 108 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 3pck s VAL 109 N -2.77 1.26 -0.01 1.08 -7.23 -1.26 0.47 120.40 111.94 3pck s VAL 109 Ca 0.00 -1.51 -0.30 0.00 -1.81 0.00 0.00 61.98 58.36 3pck s VAL 109 Cb 0.00 -1.33 -0.07 0.00 0.56 0.00 0.00 36.38 35.54 3pck s VAL 109 CO 0.00 -0.30 1.86 -0.75 -0.31 0.00 0.00 175.10 175.60 3pck s LYS 110 N -2.18 4.12 0.53 4.82 2.20 -0.31 -4.90 119.74 124.02 3pck s LYS 110 Ca 0.04 2.43 -0.20 0.00 -0.36 0.00 0.00 55.97 57.87 3pck s LYS 110 Cb -0.08 -4.10 -0.06 0.00 -1.51 0.00 0.00 37.83 32.08 3pck s LYS 110 CO 0.03 -0.96 1.18 -1.25 -0.36 0.00 0.00 175.35 173.98 3pck s PRO 111 N 4.38 3.35 0.62 4.03 0.04 -1.26 -4.28 135.00 141.87 3pck s PRO 111 Ca 0.83 1.76 -0.06 0.00 0.04 0.00 0.00 61.00 63.57 3pck s PRO 111 Cb -0.39 -2.11 0.02 0.00 0.04 0.00 0.00 34.50 32.06 3pck s PRO 111 CO 0.37 -0.89 0.93 0.20 0.04 0.00 0.00 177.00 177.65 3pck s GLY 112 N -1.55 1.63 0.35 0.56 0.00 0.16 -4.72 107.32 103.75 3pck s GLY 112 Ca 0.71 -0.76 -0.27 0.00 0.00 0.00 0.00 44.72 44.41 3pck s GLY 112 CO 0.32 -0.44 1.23 0.14 0.00 0.00 0.00 173.10 174.34 3pck s VAL 113 N -3.05 2.98 0.21 1.40 1.01 -1.26 -4.23 120.40 117.45 3pck s VAL 113 Ca 0.55 0.92 0.07 0.00 0.00 0.00 0.00 61.98 63.53 3pck s VAL 113 Cb -0.11 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 3pck s VAL 113 CO 0.45 0.17 -0.13 0.68 0.00 0.00 0.00 175.10 176.26 3pck s VAL 114 N -1.25 1.70 0.25 2.92 -7.23 -1.26 -4.43 120.40 111.11 3pck s VAL 114 Ca 0.52 -2.20 0.06 0.00 -1.81 0.00 0.00 61.98 58.55 3pck s VAL 114 Cb -0.35 -2.07 -0.03 0.00 0.56 0.00 0.00 36.38 34.48 3pck s VAL 114 CO 0.46 -0.57 0.27 0.20 -0.31 0.00 0.00 175.10 175.14 3pck s ASN 115 N -3.32 5.81 0.96 4.85 0.01 -1.26 -0.79 114.94 121.20 3pck s ASN 115 Ca 0.23 -0.15 -0.07 0.00 -0.71 0.00 0.00 52.86 52.16 3pck s ASN 115 Cb -0.00 -1.54 0.10 0.00 0.41 0.00 0.00 41.25 40.22 3pck s ASN 115 CO 0.07 -0.08 0.62 -0.46 -1.51 0.00 0.00 177.10 175.74 3pck n ASN 116 N -1.29 0.11 0.26 -1.22 0.23 0.29 -4.88 115.26 108.77 3pck n ASN 116 Ca -0.08 -1.26 0.10 0.00 -0.53 0.00 0.00 54.58 52.81 3pck n ASN 116 Cb 0.58 -0.47 0.68 0.00 -2.08 0.00 0.00 39.78 38.49 3pck n ASN 116 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3pck h ALA 117 N -1.76 1.72 -0.01 -2.53 0.00 -2.00 -1.33 119.26 113.34 3pck h ALA 117 Ca -0.20 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3pck h ALA 117 Cb 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3pck h ALA 117 CO 0.15 0.08 -0.03 0.00 0.00 0.00 0.00 179.25 179.45 3pck n ALA 118 N -2.44 2.65 -0.71 0.00 0.00 -1.26 -4.92 120.51 113.82 3pck n ALA 118 Ca -0.03 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.02 3pck n ALA 118 Cb 0.15 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.37 3pck n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3pck n GLY 119 N 1.17 0.74 3.76 0.00 0.00 -0.50 -5.04 105.19 105.31 3pck n GLY 119 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 3pck n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pck s VAL 120 N -2.62 4.85 0.34 1.61 1.01 -1.26 -4.72 120.40 119.60 3pck s VAL 120 Ca 0.00 1.38 -0.27 0.00 0.00 0.00 0.00 61.98 63.09 3pck s VAL 120 Cb 0.00 -3.99 -0.09 0.00 0.00 0.00 0.00 36.38 32.29 3pck s VAL 120 CO 0.00 0.40 1.14 -2.84 0.00 0.00 0.00 175.10 173.79 3pck s PRO 121 N -0.14 4.35 0.18 2.72 0.02 -1.26 0.11 135.00 140.97 3pck s PRO 121 Ca 0.34 1.81 0.05 0.00 0.02 0.00 0.00 61.00 63.22 3pck s PRO 121 Cb -0.19 -2.91 -0.04 0.00 0.02 0.00 0.00 34.50 31.38 3pck s PRO 121 CO 0.19 -0.06 0.16 -1.64 -0.33 0.00 0.00 177.00 175.32 3pck s MET 122 N -1.92 2.94 0.63 5.54 -1.94 0.03 -4.48 119.30 120.10 3pck s MET 122 Ca 0.51 -0.89 -0.15 0.00 -1.71 0.00 0.00 55.69 53.46 3pck s MET 122 Cb -0.31 -2.65 -0.02 0.00 2.01 0.00 0.00 34.83 33.86 3pck s MET 122 CO 0.39 0.47 1.08 0.00 -0.01 0.00 0.00 175.02 176.95 3pck s ALA 123 N -1.82 2.63 0.06 3.03 0.00 -1.26 -4.03 121.76 120.37 3pck s ALA 123 Ca 0.32 0.42 -0.36 0.00 0.00 0.00 0.00 51.96 52.34 3pck s ALA 123 Cb -0.10 -3.26 -0.15 0.00 0.00 0.00 0.00 23.12 19.62 3pck s ALA 123 CO 0.24 -1.02 1.55 -2.30 0.00 0.00 0.00 175.76 174.23 3pck n PRO 124 N -2.28 1.70 -3.80 0.00 -0.02 -1.26 -4.85 135.00 124.49 3pck n PRO 124 Ca 0.09 0.61 -0.09 0.00 -2.02 0.00 0.00 63.50 62.09 3pck n PRO 124 Cb 0.53 -2.34 -0.06 0.00 -0.02 0.00 0.00 33.50 31.60 3pck n PRO 124 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3pck s HIS 125 N 1.42 0.06 -0.11 6.00 -3.43 -1.26 -4.38 115.29 113.60 3pck s HIS 125 Ca 0.85 -0.44 0.03 0.00 -0.80 0.00 0.00 55.06 54.69 3pck s HIS 125 Cb -0.82 0.07 0.01 0.00 -1.43 0.00 0.00 32.58 30.41 3pck s HIS 125 CO 0.46 -0.64 -0.20 0.42 -2.00 0.00 0.00 174.74 172.77 3pck s ILE 126 N -3.86 1.82 -0.06 -5.38 1.01 -0.43 -4.63 121.20 109.67 3pck s ILE 126 Ca 0.06 -0.86 -0.22 0.00 0.00 0.00 0.00 60.65 59.64 3pck s ILE 126 Cb 0.03 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 3pck s ILE 126 CO -0.09 0.50 0.66 0.20 0.00 0.00 0.00 174.94 176.21 3pck s ASN 127 N 0.66 6.95 0.03 3.58 0.01 -0.09 0.66 114.94 126.75 3pck s ASN 127 Ca -0.12 1.15 0.06 0.00 -0.71 0.00 0.00 52.86 53.24 3pck s ASN 127 Cb -0.16 -2.39 -0.02 0.00 0.41 0.00 0.00 41.25 39.08 3pck s ASN 127 CO 0.03 -0.07 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.73 3pck s ILE 128 N 0.63 1.53 -0.12 0.60 1.01 0.01 -1.18 121.20 123.66 3pck s ILE 128 Ca 0.35 -1.05 0.02 0.00 0.00 0.00 0.00 60.65 59.97 3pck s ILE 128 Cb -0.18 -1.32 0.01 0.00 0.01 0.00 0.00 42.46 40.99 3pck s ILE 128 CO 0.17 0.23 -0.20 -0.44 0.00 0.00 0.00 174.94 174.70 3pck s SER 129 N -0.96 2.89 -0.11 3.58 0.01 -0.70 -0.80 113.70 117.61 3pck s SER 129 Ca 0.06 -0.54 -0.02 0.00 1.31 0.00 0.00 55.95 56.76 3pck s SER 129 Cb -0.08 -1.33 -0.03 0.00 0.21 0.00 0.00 66.02 64.79 3pck s SER 129 CO 0.01 0.07 -0.04 -0.22 0.41 0.00 0.00 173.24 173.47 3pck s LEU 130 N 0.80 3.31 0.13 2.44 2.96 0.15 -1.77 118.68 126.69 3pck s LEU 130 Ca -0.09 -0.02 0.07 0.00 -0.22 0.00 0.00 54.13 53.87 3pck s LEU 130 Cb -0.16 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 3pck s LEU 130 CO -0.00 0.29 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.80 3pck s PHE 131 N -0.36 1.55 0.00 5.38 0.40 0.11 -2.33 117.98 122.73 3pck s PHE 131 Ca 0.06 -0.51 0.00 0.00 -0.60 0.00 0.00 56.93 55.88 3pck s PHE 131 Cb -0.12 -0.81 0.00 0.00 0.51 0.00 0.00 43.02 42.60 3pck s PHE 131 CO 0.02 0.20 0.00 0.00 0.70 0.00 0.00 175.22 176.14 3pck n ALA 132 N 0.58 0.00 -1.67 5.36 0.00 -1.26 -1.24 120.51 122.28 3pck n ALA 132 Ca -0.16 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.82 3pck n ALA 132 Cb 0.56 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.97 3pck n ALA 132 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3pck n ARG 133 N -0.68 2.17 -0.23 0.00 0.63 -1.25 -0.60 116.66 116.70 3pck n ARG 133 Ca 0.00 0.78 0.00 0.00 -0.92 0.00 0.00 57.85 57.71 3pck n ARG 133 Cb 0.00 -2.56 0.00 0.00 0.45 0.00 0.00 32.46 30.35 3pck n ARG 133 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3pck n GLY 134 N 3.53 0.87 3.19 5.14 0.00 -1.26 -4.99 105.19 111.67 3pck n GLY 134 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 3pck n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3pck s ILE 135 N -2.61 3.42 0.24 -0.61 1.01 0.23 -4.99 121.20 117.90 3pck s ILE 135 Ca 0.00 -1.55 -0.01 0.00 0.00 0.00 0.00 60.65 59.09 3pck s ILE 135 Cb 0.00 -3.10 0.04 0.00 0.01 0.00 0.00 42.46 39.40 3pck s ILE 135 CO 0.00 -0.37 1.65 0.78 0.00 0.00 0.00 174.94 177.00 3pck h ASN 136 N 8.12 0.61 -3.39 3.58 2.35 -1.91 -3.34 115.58 121.60 3pck h ASN 136 Ca -0.19 -0.23 -0.25 0.00 -0.55 0.00 0.00 56.30 55.07 3pck h ASN 136 Cb 1.06 -0.17 -0.32 0.00 0.05 0.00 0.00 38.32 38.94 3pck h ASN 136 CO 0.63 0.87 -0.61 -0.51 -1.65 0.00 0.00 177.43 176.16 3pck s ILE 137 N -4.45 -0.08 0.58 2.81 2.07 -1.26 -3.05 121.20 117.81 3pck s ILE 137 Ca -0.08 0.21 -0.19 0.00 -1.41 0.00 0.00 60.65 59.18 3pck s ILE 137 Cb 0.13 -0.24 -0.05 0.00 0.13 0.00 0.00 42.46 42.43 3pck s ILE 137 CO 0.81 0.09 1.00 0.00 -1.91 0.00 0.00 174.94 174.93 3pck n HIS 138 N 4.37 0.97 -3.67 3.50 1.44 -1.26 -5.00 115.22 115.58 3pck n HIS 138 Ca -0.23 0.45 -0.36 0.00 -2.01 0.00 0.00 57.72 55.57 3pck n HIS 138 Cb 0.51 -2.17 -0.08 0.00 0.12 0.00 0.00 29.99 28.37 3pck n HIS 138 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3pck s LEU 139 N -1.95 4.18 -0.19 2.39 1.43 -0.98 -4.89 118.68 118.67 3pck s LEU 139 Ca 0.74 0.24 -0.14 0.00 -1.03 0.00 0.00 54.13 53.94 3pck s LEU 139 Cb -0.43 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 43.59 3pck s LEU 139 CO 0.48 0.12 0.32 -1.00 0.23 0.00 0.00 176.35 176.50 3pck s HIS 140 N 0.64 3.41 0.24 0.29 3.76 -1.26 0.34 115.29 122.70 3pck s HIS 140 Ca 0.09 0.55 -0.05 0.00 -0.15 0.00 0.00 55.06 55.50 3pck s HIS 140 Cb -0.12 -2.40 -0.02 0.00 1.11 0.00 0.00 32.58 31.14 3pck s HIS 140 CO 0.01 0.12 0.30 -0.08 -0.85 0.00 0.00 174.74 174.24 3pck s THR 141 N 0.88 0.00 0.02 1.30 -1.32 0.02 -0.71 115.64 115.83 3pck s THR 141 Ca 0.16 -1.74 0.04 0.00 -1.21 0.00 0.00 61.69 58.94 3pck s THR 141 Cb -0.14 -2.40 -0.02 0.00 -1.51 0.00 0.00 72.50 68.43 3pck s THR 141 CO 0.05 0.00 -0.12 -0.13 -2.21 0.00 0.00 174.62 172.22 3pck s ARG 142 N -3.98 0.83 -0.17 7.08 0.52 -1.26 -0.81 118.95 121.16 3pck s ARG 142 Ca 0.32 -0.63 -0.07 0.00 -0.52 0.00 0.00 55.73 54.84 3pck s ARG 142 Cb 0.03 -0.80 -0.04 0.00 0.52 0.00 0.00 34.95 34.67 3pck s ARG 142 CO 0.12 0.20 0.06 -1.17 0.02 0.00 0.00 175.30 174.53 3pck s LEU 143 N -0.91 3.80 0.28 2.53 0.20 0.21 -4.83 118.68 119.97 3pck s LEU 143 Ca 0.01 0.10 0.11 0.00 0.69 0.00 0.00 54.13 55.04 3pck s LEU 143 Cb -0.07 -1.95 -0.05 0.00 -0.43 0.00 0.00 46.19 43.69 3pck s LEU 143 CO 0.01 0.21 -0.14 -0.31 -0.29 0.00 0.00 176.35 175.83 3pck s TYR 144 N 0.17 2.41 -0.12 5.38 1.51 -0.61 -1.32 117.35 124.77 3pck s TYR 144 Ca 0.04 -0.31 -0.02 0.00 -1.01 0.00 0.00 57.07 55.77 3pck s TYR 144 Cb -0.12 -1.08 -0.03 0.00 -0.11 0.00 0.00 41.96 40.62 3pck s TYR 144 CO 0.01 0.68 -0.04 -0.06 -1.11 0.00 0.00 175.55 175.02 3pck s PHE 145 N -2.47 3.01 0.32 2.71 0.08 -1.26 0.10 117.98 120.48 3pck s PHE 145 Ca 0.31 -0.16 0.32 0.00 0.12 0.00 0.00 56.93 57.52 3pck s PHE 145 Cb -0.05 -1.87 1.52 0.00 -0.57 0.00 0.00 43.02 42.06 3pck s PHE 145 CO 0.16 0.12 2.06 0.38 -0.10 0.00 0.00 175.22 177.85 3pck h ASP 146 N 6.12 0.00 -0.29 1.36 2.03 -1.50 -2.41 116.42 121.73 3pck h ASP 146 Ca -0.38 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.92 3pck h ASP 146 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 3pck h ASP 146 CO 0.59 0.08 0.00 -0.90 -1.03 0.00 0.00 179.24 177.98 3pck n ASP 147 N -3.34 1.76 -0.77 4.15 5.68 -1.26 -3.80 116.55 118.97 3pck n ASP 147 Ca -0.01 -2.05 0.03 0.00 -0.50 0.00 0.00 54.79 52.26 3pck n ASP 147 Cb 0.26 -0.25 0.19 0.00 -1.14 0.00 0.00 41.12 40.17 3pck n ASP 147 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3pck n GLU 148 N 0.34 1.76 -0.33 0.11 -0.58 -0.91 -4.85 120.64 116.18 3pck n GLU 148 Ca 0.10 -3.37 0.01 0.00 -0.42 0.00 0.00 57.16 53.48 3pck n GLU 148 Cb 0.30 -1.65 0.08 0.00 -0.57 0.00 0.00 31.44 29.60 3pck n GLU 148 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3pck h ALA 149 N 1.12 0.35 -0.61 0.62 0.00 -1.75 0.23 119.26 119.21 3pck h ALA 149 Ca 0.03 0.30 0.03 0.00 0.00 0.00 0.00 54.91 55.27 3pck h ALA 149 Cb 1.07 0.84 -0.04 0.00 0.00 0.00 0.00 17.79 19.66 3pck h ALA 149 CO 0.08 -0.52 0.38 1.96 0.00 0.00 0.00 179.25 181.14 3pck h GLN 150 N -0.02 0.72 -0.20 0.00 4.20 -1.94 -0.18 115.11 117.69 3pck h GLN 150 Ca 0.38 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.95 3pck h GLN 150 Cb 0.63 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.24 3pck h GLN 150 CO -0.93 0.47 -0.23 0.00 -0.67 0.00 0.00 178.83 177.47 3pck h ALA 151 N 1.27 0.30 -1.00 3.87 0.00 -1.64 -3.18 119.26 118.86 3pck h ALA 151 Ca 0.25 -0.37 0.09 0.00 0.00 0.00 0.00 54.91 54.88 3pck h ALA 151 Cb 0.03 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.68 3pck h ALA 151 CO -0.10 0.26 0.64 -0.91 0.00 0.00 0.00 179.25 179.13 3pck h ASN 152 N 0.18 0.98 0.00 0.00 2.35 -0.17 -1.40 115.58 117.52 3pck h ASN 152 Ca 0.03 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 3pck h ASN 152 Cb 0.79 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 3pck h ASN 152 CO 0.06 0.57 -0.04 0.00 -1.65 0.00 0.00 177.43 176.37 3pck h ALA 153 N 1.50 1.80 0.00 -0.83 0.00 -1.02 -2.91 119.26 117.81 3pck h ALA 153 Ca 0.47 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3pck h ALA 153 Cb 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3pck h ALA 153 CO -0.22 0.15 -1.01 1.63 0.00 0.00 0.00 179.25 179.80 3pck n LYS 154 N -4.43 0.29 -1.69 0.00 4.76 -0.60 -4.93 118.16 111.55 3pck n LYS 154 Ca -0.02 0.00 -0.53 0.00 -2.87 0.00 0.00 58.31 54.90 3pck n LYS 154 Cb 0.16 -1.60 -0.06 0.00 -1.84 0.00 0.00 35.03 31.69 3pck n LYS 154 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3pck h PRO 156 N 7.94 0.08 0.00 0.00 0.13 -1.92 0.17 132.00 138.41 3pck h PRO 156 Ca -0.47 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3pck h PRO 156 Cb 1.30 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3pck h PRO 156 CO 0.94 0.28 -0.00 0.28 -0.23 0.00 0.00 178.00 179.27 3pck h VAL 157 N 0.08 1.66 -0.52 1.56 2.07 -1.94 -3.15 116.25 116.01 3pck h VAL 157 Ca 0.01 -1.96 0.00 0.00 0.82 0.00 0.00 66.70 65.58 3pck h VAL 157 Cb 0.39 2.98 -0.03 0.00 -1.52 0.00 0.00 31.29 33.12 3pck h VAL 157 CO 0.03 0.51 0.33 0.25 0.02 0.00 0.00 177.57 178.70 3pck h LEU 158 N -0.84 0.61 -0.14 2.57 5.85 -1.87 -1.37 115.31 120.13 3pck h LEU 158 Ca -0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3pck h LEU 158 Cb 0.83 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.71 3pck h LEU 158 CO 0.00 0.45 0.00 0.59 -0.34 0.00 0.00 178.44 179.14 3pck n ASN 159 N -4.44 0.15 0.20 1.25 3.02 0.58 -1.96 115.26 114.05 3pck n ASN 159 Ca 0.05 0.53 0.12 0.00 -0.03 0.00 0.00 54.58 55.25 3pck n ASN 159 Cb 0.06 -0.57 0.18 0.00 -0.61 0.00 0.00 39.78 38.85 3pck n ASN 159 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3pck h LEU 160 N 0.00 0.00 -8.88 3.41 3.38 -1.19 -3.43 115.31 108.60 3pck h LEU 160 Ca 0.00 -0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 3pck h LEU 160 Cb 0.30 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 3pck h LEU 160 CO 0.00 0.00 0.99 -0.63 0.09 0.00 0.00 178.44 178.90 3pck s ILE 161 N -3.21 4.08 0.19 1.22 1.01 -0.83 -4.91 121.20 118.76 3pck s ILE 161 Ca 0.07 1.17 -0.18 0.00 0.00 0.00 0.00 60.65 61.71 3pck s ILE 161 Cb 0.06 -4.23 0.16 0.00 0.01 0.00 0.00 42.46 38.46 3pck s ILE 161 CO 0.67 -0.63 1.60 -0.33 0.00 0.00 0.00 174.94 176.25 3pck h GLU 162 N 9.71 -0.11 -4.88 2.79 5.08 -1.88 -3.38 114.58 121.90 3pck h GLU 162 Ca -0.26 0.01 -0.69 0.00 -1.00 0.00 0.00 59.36 57.42 3pck h GLU 162 Cb 1.09 0.03 -0.18 0.00 0.50 0.00 0.00 28.75 30.19 3pck h GLU 162 CO 1.06 -0.08 -0.23 -0.65 -1.00 0.00 0.00 179.01 178.11 3pck s GLN 163 N -6.09 3.21 0.41 2.33 -1.52 -1.26 -4.97 119.66 111.76 3pck s GLN 163 Ca -0.14 -0.68 0.23 0.00 -1.95 0.00 0.00 55.36 52.82 3pck s GLN 163 Cb 0.17 -3.93 1.25 0.00 -0.22 0.00 0.00 33.01 30.28 3pck s GLN 163 CO 0.71 -0.77 1.68 -1.35 -0.25 0.00 0.00 175.29 175.31 3pck h PRO 164 N 8.66 0.23 -0.63 2.91 0.11 -1.97 0.21 132.00 141.52 3pck h PRO 164 Ca -0.27 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.91 3pck h PRO 164 Cb 1.12 -0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.11 3pck h PRO 164 CO 0.77 0.15 0.27 1.96 -0.21 0.00 0.00 178.00 180.94 3pck h GLN 165 N 0.24 0.47 0.00 1.05 7.50 -1.95 -2.05 115.11 120.37 3pck h GLN 165 Ca 0.72 -0.03 -0.04 0.00 0.50 0.00 0.00 58.65 59.80 3pck h GLN 165 Cb 2.02 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 29.44 3pck h GLN 165 CO -0.41 0.31 -0.20 0.00 -1.50 0.00 0.00 178.83 177.03 3pck h ARG 166 N 0.48 0.00 -0.38 1.46 3.08 -0.97 -2.89 114.38 115.16 3pck h ARG 166 Ca 0.31 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.35 3pck h ARG 166 Cb 0.35 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 3pck h ARG 166 CO -0.28 0.20 0.17 0.00 -1.07 0.00 0.00 179.97 178.99 3pck h ARG 167 N 0.00 0.52 -0.03 0.04 3.08 -1.36 -2.01 114.38 114.63 3pck h ARG 167 Ca -0.00 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 3pck h ARG 167 Cb 0.50 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 3pck h ARG 167 CO 0.03 0.42 -0.13 0.93 -1.07 0.00 0.00 179.97 180.15 3pck h GLU 168 N 0.53 0.04 0.00 0.04 5.08 -1.56 -1.81 114.58 116.89 3pck h GLU 168 Ca 0.13 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3pck h GLU 168 Cb 0.07 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3pck h GLU 168 CO -0.02 0.17 0.00 1.79 -1.00 0.00 0.00 179.01 179.95 3pck h THR 169 N 0.04 0.00 -0.00 1.13 1.35 -1.51 -1.66 112.91 112.26 3pck h THR 169 Ca 0.01 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 3pck h THR 169 Cb 0.25 0.63 0.00 0.00 -1.73 0.00 0.00 68.15 67.30 3pck h THR 169 CO 0.02 0.00 -0.76 0.18 -0.25 0.00 0.00 175.52 174.71 3pck n LEU 170 N -2.38 0.83 -4.57 3.87 4.77 -0.68 -4.80 117.00 114.03 3pck n LEU 170 Ca -0.01 -0.30 -0.42 0.00 -0.03 0.00 0.00 56.01 55.25 3pck n LEU 170 Cb 0.07 -0.11 -0.07 0.00 -2.33 0.00 0.00 43.42 40.99 3pck n LEU 170 CO 0.13 0.20 0.38 -0.63 -1.33 0.00 0.00 177.39 176.14 3pck s ILE 171 N -2.97 4.90 0.21 -0.08 1.09 -0.63 -1.58 121.20 122.13 3pck s ILE 171 Ca 0.10 0.60 -0.30 0.00 -1.10 0.00 0.00 60.65 59.95 3pck s ILE 171 Cb 0.17 -4.07 -0.08 0.00 -1.06 0.00 0.00 42.46 37.42 3pck s ILE 171 CO 0.78 -0.30 1.11 0.00 -0.10 0.00 0.00 174.94 176.44 3pck s ALA 172 N 2.69 3.39 -0.44 9.38 0.00 0.28 -4.82 121.76 132.25 3pck s ALA 172 Ca 0.24 0.86 -0.23 0.00 0.00 0.00 0.00 51.96 52.83 3pck s ALA 172 Cb -0.15 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 19.64 3pck s ALA 172 CO 0.15 -0.22 0.80 0.15 0.00 0.00 0.00 175.76 176.64 3pck s LYS 173 N -0.64 3.47 0.34 0.00 1.02 -0.90 -1.26 119.74 121.77 3pck s LYS 173 Ca 0.49 -0.02 -0.29 0.00 0.02 0.00 0.00 55.97 56.17 3pck s LYS 173 Cb -0.31 -3.92 -0.11 0.00 -0.52 0.00 0.00 37.83 32.98 3pck s LYS 173 CO 0.37 -1.09 1.49 0.50 -0.92 0.00 0.00 175.35 175.70 3pck s ARG 174 N 3.32 4.15 0.00 1.68 3.52 -1.26 -1.21 118.95 129.15 3pck s ARG 174 Ca 0.31 2.51 0.00 0.00 -0.13 0.00 0.00 55.73 58.42 3pck s ARG 174 Cb -0.12 -3.01 0.00 0.00 -1.56 0.00 0.00 34.95 30.26 3pck s ARG 174 CO 0.22 -0.51 0.00 0.00 -0.81 0.00 0.00 175.30 174.20 3pck s GLU 176 N -1.14 0.01 -0.20 0.00 2.12 -1.26 -1.11 118.70 117.13 3pck s GLU 176 Ca 0.00 0.04 0.00 0.00 0.36 0.00 0.00 54.97 55.37 3pck s GLU 176 Cb 0.00 -0.02 0.05 0.00 0.26 0.00 0.00 34.13 34.42 3pck s GLU 176 CO 0.00 -0.02 -0.07 0.08 -0.54 0.00 0.00 175.26 174.72 3pck s VAL 177 N 0.12 1.38 -1.33 3.70 1.01 0.43 -4.72 120.40 120.99 3pck s VAL 177 Ca -0.01 -0.92 -0.05 0.00 0.00 0.00 0.00 61.98 61.00 3pck s VAL 177 Cb -0.01 -1.57 0.02 0.00 0.00 0.00 0.00 36.38 34.82 3pck s VAL 177 CO -0.00 0.06 0.99 0.47 0.00 0.00 0.00 175.10 176.62 3pck n ASP 178 N 4.76 -3.66 -0.85 3.32 8.00 -1.26 -0.72 116.55 126.14 3pck n ASP 178 Ca -0.13 -0.66 -0.11 0.00 0.71 0.00 0.00 54.79 54.60 3pck n ASP 178 Cb 0.46 -4.67 -0.05 0.00 -0.02 0.00 0.00 41.12 36.84 3pck n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3pck n GLY 179 N -1.59 1.17 3.59 0.44 0.00 -1.26 -4.99 105.19 102.55 3pck n GLY 179 Ca -0.14 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.34 3pck n GLY 179 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3pck s LYS 180 N -2.79 2.30 0.08 1.61 2.20 0.10 -5.08 119.74 118.17 3pck s LYS 180 Ca 0.00 -0.91 -0.31 0.00 -0.36 0.00 0.00 55.97 54.39 3pck s LYS 180 Cb 0.00 -2.39 -0.08 0.00 -1.51 0.00 0.00 37.83 33.86 3pck s LYS 180 CO 0.00 0.54 1.49 0.99 -0.36 0.00 0.00 175.35 178.01 3pck s THR 181 N -1.15 3.21 0.14 3.43 2.01 -1.26 0.16 115.64 122.18 3pck s THR 181 Ca 0.20 0.77 0.03 0.00 0.31 0.00 0.00 61.69 63.01 3pck s THR 181 Cb -0.11 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 3pck s THR 181 CO 0.12 0.03 -0.07 0.00 -0.69 0.00 0.00 174.62 174.01 3pck s ALA 182 N 1.82 1.33 -0.04 7.40 0.00 -0.27 -1.50 121.76 130.50 3pck s ALA 182 Ca 0.68 -1.48 -0.02 0.00 0.00 0.00 0.00 51.96 51.14 3pck s ALA 182 Cb -0.38 0.17 0.03 0.00 0.00 0.00 0.00 23.12 22.95 3pck s ALA 182 CO 0.30 -0.17 0.10 0.71 0.00 0.00 0.00 175.76 176.69 3pck s TYR 183 N -3.46 -0.09 -0.21 0.00 1.51 -0.00 -0.74 117.35 114.35 3pck s TYR 183 Ca 0.17 0.32 -0.09 0.00 -1.01 0.00 0.00 57.07 56.46 3pck s TYR 183 Cb 0.04 -0.11 -0.04 0.00 -0.11 0.00 0.00 41.96 41.74 3pck s TYR 183 CO -0.00 -0.12 0.10 0.50 -1.11 0.00 0.00 175.55 174.92 3pck s ARG 184 N 0.90 3.96 -0.32 -0.62 3.52 -0.35 -1.61 118.95 124.44 3pck s ARG 184 Ca -0.07 -0.34 -0.00 0.00 -0.13 0.00 0.00 55.73 55.19 3pck s ARG 184 Cb -0.10 -3.35 0.10 0.00 -1.56 0.00 0.00 34.95 30.04 3pck s ARG 184 CO -0.04 0.12 0.11 0.12 -0.81 0.00 0.00 175.30 174.80 3pck s PHE 185 N 0.82 1.90 0.06 5.12 5.36 0.62 -2.11 117.98 129.73 3pck s PHE 185 Ca 0.05 -1.90 -0.18 0.00 -0.96 0.00 0.00 56.93 53.93 3pck s PHE 185 Cb -0.13 -1.83 -0.06 0.00 -0.34 0.00 0.00 43.02 40.66 3pck s PHE 185 CO 0.02 -0.88 0.54 -0.51 -1.46 0.00 0.00 175.22 172.94 3pck s ASP 186 N 1.44 7.01 -0.20 6.13 1.01 -1.26 -4.02 116.67 126.78 3pck s ASP 186 Ca 0.11 1.20 -0.02 0.00 0.71 0.00 0.00 52.55 54.55 3pck s ASP 186 Cb -0.18 -2.34 0.00 0.00 1.01 0.00 0.00 42.92 41.41 3pck s ASP 186 CO -0.21 0.28 -0.11 -0.63 0.21 0.00 0.00 175.17 174.71 3pck s ILE 187 N -1.07 2.83 -0.35 0.77 1.01 -0.06 -4.98 121.20 119.35 3pck s ILE 187 Ca 0.28 -0.68 -0.09 0.00 0.00 0.00 0.00 60.65 60.17 3pck s ILE 187 Cb -0.19 -2.25 0.03 0.00 0.01 0.00 0.00 42.46 40.06 3pck s ILE 187 CO 0.18 0.47 0.15 -0.13 0.00 0.00 0.00 174.94 175.61 3pck s ARG 188 N 1.37 2.76 0.16 2.79 0.52 -1.26 -0.33 118.95 124.96 3pck s ARG 188 Ca 0.05 -1.10 -0.10 0.00 -0.52 0.00 0.00 55.73 54.06 3pck s ARG 188 Cb -0.14 -3.58 0.01 0.00 0.52 0.00 0.00 34.95 31.76 3pck s ARG 188 CO -0.07 -0.66 1.56 0.82 0.02 0.00 0.00 175.30 176.97 3pck h ILE 189 N 6.01 1.27 -3.48 1.52 2.04 -1.60 0.14 117.51 123.41 3pck h ILE 189 Ca -0.25 -1.37 -0.11 0.00 1.00 0.00 0.00 64.86 64.13 3pck h ILE 189 Cb 1.10 1.09 -0.18 0.00 -0.74 0.00 0.00 36.82 38.10 3pck h ILE 189 CO 0.63 0.48 -0.37 -1.58 0.00 0.00 0.00 178.15 177.31 3pck s GLN 190 N -4.70 0.70 3.06 2.37 0.74 -1.26 -4.72 119.66 115.85 3pck s GLN 190 Ca -0.11 -0.57 0.00 0.00 0.05 0.00 0.00 55.36 54.73 3pck s GLN 190 Cb 0.12 0.29 0.00 0.00 1.10 0.00 0.00 33.01 34.53 3pck s GLN 190 CO 0.87 -0.20 0.00 0.41 -0.55 0.00 0.00 175.29 175.82 3pck n GLY 191 N 0.75 0.02 3.67 2.59 0.00 -1.26 -4.23 105.19 106.74 3pck n GLY 191 Ca -0.19 -1.12 -0.46 0.00 0.00 0.00 0.00 46.02 44.25 3pck n GLY 191 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3pck n GLU 192 N 5.19 2.22 -1.79 1.61 -0.00 -1.26 -0.95 120.64 125.66 3pck n GLU 192 Ca 0.00 0.80 -0.16 0.00 -0.00 0.00 0.00 57.16 57.81 3pck n GLU 192 Cb 0.00 -2.59 -0.04 0.00 -0.00 0.00 0.00 31.44 28.80 3pck n GLU 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3pck n GLY 193 N 3.63 0.85 3.54 -1.84 0.00 -1.26 -4.92 105.19 105.19 3pck n GLY 193 Ca 0.18 -0.26 -0.52 0.00 0.00 0.00 0.00 46.02 45.42 3pck n GLY 193 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3pck n GLU 194 N -2.53 0.77 -2.52 1.61 2.13 -0.12 -4.66 120.64 115.32 3pck n GLU 194 Ca -0.17 0.27 -0.40 0.00 0.66 0.00 0.00 57.16 57.53 3pck n GLU 194 Cb 0.56 -1.75 -0.04 0.00 0.27 0.00 0.00 31.44 30.48 3pck n GLU 194 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3pck s THR 195 N -0.11 3.60 0.19 6.31 2.01 0.50 -4.94 115.64 123.19 3pck s THR 195 Ca 0.78 1.54 -0.31 0.00 0.31 0.00 0.00 61.69 64.02 3pck s THR 195 Cb -0.98 -3.96 -0.09 0.00 0.01 0.00 0.00 72.50 67.48 3pck s THR 195 CO 0.53 0.32 1.45 -0.69 -0.69 0.00 0.00 174.62 175.53 3pck s VAL 196 N -1.24 2.87 0.10 3.82 1.01 -1.26 -4.94 120.40 120.76 3pck s VAL 196 Ca 0.46 0.67 0.10 0.00 0.00 0.00 0.00 61.98 63.21 3pck s VAL 196 Cb -0.30 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 3pck s VAL 196 CO 0.38 0.08 -0.26 -0.36 0.00 0.00 0.00 175.10 174.94 3pck s PHE 197 N 0.59 2.21 0.25 5.22 0.08 -1.26 -4.69 117.98 120.38 3pck s PHE 197 Ca 0.63 -0.39 0.08 0.00 0.12 0.00 0.00 56.93 57.37 3pck s PHE 197 Cb -0.40 -1.23 -0.04 0.00 -0.57 0.00 0.00 43.02 40.77 3pck s PHE 197 CO 0.36 0.26 0.06 -0.06 -0.10 0.00 0.00 175.22 175.74 3pck s PHE 198 N -1.00 2.85 -0.05 0.36 0.08 0.11 -5.02 117.98 115.31 3pck s PHE 198 Ca 0.12 -0.17 0.04 0.00 0.12 0.00 0.00 56.93 57.03 3pck s PHE 198 Cb -0.10 -1.29 0.00 0.00 -0.57 0.00 0.00 43.02 41.06 3pck s PHE 198 CO 0.05 0.57 -0.15 0.34 -0.10 0.00 0.00 175.22 175.93 3pck s ASP 199 N -3.60 1.97 0.00 1.36 2.15 -1.26 -4.40 116.67 112.89 3pck s ASP 199 Ca 0.31 -0.32 0.00 0.00 0.43 0.00 0.00 52.55 52.97 3pck s ASP 199 Cb -0.07 -0.65 0.00 0.00 -0.30 0.00 0.00 42.92 41.90 3pck s ASP 199 CO 0.21 0.11 0.00 2.22 -0.17 0.00 0.00 175.17 177.54