#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pcc s ILE 2 N 0.00 4.53 -0.09 4.25 -1.09 -1.26 -5.04 121.20 122.50 3pcc s ILE 2 Ca 0.00 1.84 0.04 0.00 -2.23 0.00 0.00 60.65 60.30 3pcc s ILE 2 Cb 0.00 -4.18 -0.01 0.00 -1.58 0.00 0.00 42.46 36.69 3pcc s ILE 2 CO 0.00 0.16 -0.22 -1.61 -1.23 0.00 0.00 174.94 172.04 3pcc s GLU 3 N 0.93 2.99 0.35 2.79 0.41 -1.26 -5.14 118.70 119.77 3pcc s GLU 3 Ca 0.54 -0.84 -0.01 0.00 -0.41 0.00 0.00 54.97 54.25 3pcc s GLU 3 Cb -0.24 -2.33 0.07 0.00 -1.78 0.00 0.00 34.13 29.84 3pcc s GLU 3 CO 0.29 0.24 0.49 1.28 -0.49 0.00 0.00 175.26 177.07 3pcc n LEU 4 N 3.36 0.00 -4.78 1.80 4.32 -1.26 -5.05 117.00 115.39 3pcc n LEU 4 Ca -0.18 -0.98 -0.35 0.00 -0.02 0.00 0.00 56.01 54.47 3pcc n LEU 4 Cb 0.53 -0.32 -0.00 0.00 -1.62 0.00 0.00 43.42 42.01 3pcc n LEU 4 CO 0.28 -0.75 0.78 -0.76 -1.22 0.00 0.00 177.39 175.72 3pcc s LEU 5 N 0.00 3.76 0.26 2.23 1.43 -1.26 -4.98 118.68 120.13 3pcc s LEU 5 Ca 0.32 2.15 -0.28 0.00 -1.03 0.00 0.00 54.13 55.28 3pcc s LEU 5 Cb -0.02 -4.58 -0.09 0.00 0.03 0.00 0.00 46.19 41.53 3pcc s LEU 5 CO 0.21 -1.17 0.93 -2.84 0.23 0.00 0.00 176.35 173.72 3pcc s PRO 6 N -3.27 4.75 0.47 1.29 0.02 -1.26 -5.02 135.00 131.98 3pcc s PRO 6 Ca 0.72 1.42 -0.23 0.00 0.02 0.00 0.00 61.00 62.93 3pcc s PRO 6 Cb -0.23 -3.12 -0.07 0.00 0.02 0.00 0.00 34.50 31.10 3pcc s PRO 6 CO 0.26 0.44 1.19 -2.00 -0.33 0.00 0.00 177.00 176.56 3pcc s GLU 7 N -1.48 3.66 0.27 5.54 2.12 -1.26 -4.96 118.70 122.60 3pcc s GLU 7 Ca 0.44 1.82 -0.30 0.00 0.36 0.00 0.00 54.97 57.29 3pcc s GLU 7 Cb -0.23 -2.37 -0.11 0.00 0.26 0.00 0.00 34.13 31.68 3pcc s GLU 7 CO 0.29 -0.64 1.57 0.99 -0.54 0.00 0.00 175.26 176.92 3pcc s THR 8 N -1.53 2.23 0.38 -1.70 2.01 -1.26 -4.94 115.64 110.83 3pcc s THR 8 Ca 0.65 0.19 -0.26 0.00 0.31 0.00 0.00 61.69 62.58 3pcc s THR 8 Cb -0.30 -3.12 -0.09 0.00 0.01 0.00 0.00 72.50 69.00 3pcc s THR 8 CO 0.36 0.03 1.18 -2.16 -0.69 0.00 0.00 174.62 173.34 3pcc s PRO 9 N -0.28 4.17 0.72 4.92 0.04 -1.26 -5.03 135.00 138.28 3pcc s PRO 9 Ca 0.63 1.89 -0.11 0.00 0.04 0.00 0.00 61.00 63.46 3pcc s PRO 9 Cb -0.46 -2.80 0.03 0.00 0.04 0.00 0.00 34.50 31.31 3pcc s PRO 9 CO 0.45 -0.24 1.07 0.45 0.04 0.00 0.00 177.00 178.77 3pcc s SER 10 N -1.00 5.06 0.01 6.66 0.15 -1.26 -5.09 113.70 118.24 3pcc s SER 10 Ca 0.54 1.67 -0.09 0.00 0.70 0.00 0.00 55.95 58.77 3pcc s SER 10 Cb -0.32 -2.49 0.01 0.00 -1.71 0.00 0.00 66.02 61.51 3pcc s SER 10 CO 0.41 -1.65 0.19 -1.10 1.20 0.00 0.00 173.24 172.29 3pcc s GLN 11 N -5.00 0.59 0.56 5.44 -1.52 -1.16 -4.90 119.66 113.67 3pcc s GLN 11 Ca 0.59 -0.43 -0.20 0.00 -1.95 0.00 0.00 55.36 53.37 3pcc s GLN 11 Cb -0.15 0.25 -0.07 0.00 -0.22 0.00 0.00 33.01 32.82 3pcc s GLN 11 CO 0.55 -0.16 0.91 -2.37 -0.25 0.00 0.00 175.29 173.98 3pcc n THR 12 N 1.16 3.20 0.21 -0.19 5.66 -1.18 -4.80 114.28 118.35 3pcc n THR 12 Ca -0.21 -0.50 0.10 0.00 -3.05 0.00 0.00 64.05 60.39 3pcc n THR 12 Cb 0.57 -1.09 0.33 0.00 -1.55 0.00 0.00 70.33 68.59 3pcc n THR 12 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3pcc h ALA 13 N 0.70 0.93 -0.12 1.79 0.00 -1.75 -3.50 119.26 117.31 3pcc h ALA 13 Ca -0.47 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.27 3pcc h ALA 13 Cb 1.36 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 3pcc h ALA 13 CO 0.52 0.24 -0.03 0.41 0.00 0.00 0.00 179.25 180.39 3pcc n GLY 14 N 0.60 -1.68 0.20 0.00 0.00 -1.26 -4.16 105.19 98.89 3pcc n GLY 14 Ca 0.02 -1.50 0.15 0.00 0.00 0.00 0.00 46.02 44.68 3pcc n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3pcc h PRO 15 N -0.05 0.00 -0.42 1.61 0.13 -1.93 -3.23 132.00 128.12 3pcc h PRO 15 Ca -0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 3pcc h PRO 15 Cb 0.05 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.16 3pcc h PRO 15 CO 0.00 0.00 0.03 0.66 -0.23 0.00 0.00 178.00 178.46 3pcc n TYR 16 N -2.68 1.49 -0.20 1.56 4.01 -1.26 -4.66 117.16 115.42 3pcc n TYR 16 Ca 0.02 -0.90 0.23 0.00 -0.16 0.00 0.00 57.90 57.09 3pcc n TYR 16 Cb 0.28 -0.43 0.61 0.00 -0.31 0.00 0.00 39.34 39.50 3pcc n TYR 16 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 3pcc h VAL 17 N 2.58 0.63 -0.64 -0.72 3.04 -1.71 -1.68 116.25 117.75 3pcc h VAL 17 Ca 0.04 -0.07 0.06 0.00 -1.01 0.00 0.00 66.70 65.72 3pcc h VAL 17 Cb 1.73 0.40 -0.04 0.00 -2.01 0.00 0.00 31.29 31.37 3pcc h VAL 17 CO 0.38 0.04 0.42 0.45 -1.01 0.00 0.00 177.57 177.85 3pcc h HIS 18 N 0.21 0.64 -0.64 3.17 3.86 -1.85 -1.77 115.15 118.77 3pcc h HIS 18 Ca 0.44 0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.72 3pcc h HIS 18 Cb 1.38 -0.21 -0.04 0.00 1.06 0.00 0.00 27.41 29.60 3pcc h HIS 18 CO -0.00 0.34 0.42 -0.84 0.86 0.00 0.00 177.93 178.71 3pcc h ILE 19 N 0.63 1.01 0.00 2.45 3.07 -1.53 0.63 117.51 123.77 3pcc h ILE 19 Ca 0.28 -0.22 -0.18 0.00 1.55 0.00 0.00 64.86 66.29 3pcc h ILE 19 Cb 0.27 0.31 -0.03 0.00 -0.27 0.00 0.00 36.82 37.10 3pcc h ILE 19 CO -0.08 0.12 -1.95 0.61 -1.05 0.00 0.00 178.15 175.80 3pcc n GLY 20 N -1.47 -1.07 0.00 0.16 0.00 -0.74 -4.59 105.19 97.48 3pcc n GLY 20 Ca 0.09 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3pcc n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3pcc n LEU 21 N -2.62 0.47 -2.91 0.99 4.77 -0.75 -4.87 117.00 112.09 3pcc n LEU 21 Ca -0.16 -0.54 -0.13 0.00 -0.03 0.00 0.00 56.01 55.15 3pcc n LEU 21 Cb 0.85 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.99 3pcc n LEU 21 CO 0.44 0.12 0.12 0.00 -1.33 0.00 0.00 177.39 176.73 3pcc n ALA 22 N -0.14 0.26 -0.23 -1.18 0.00 0.21 -4.96 120.51 114.47 3pcc n ALA 22 Ca 0.00 -2.20 -0.07 0.00 0.00 0.00 0.00 53.44 51.17 3pcc n ALA 22 Cb 0.07 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 3pcc n ALA 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3pcc h LEU 23 N 3.06 -1.47 -0.09 0.00 4.07 -1.61 0.47 115.31 119.73 3pcc h LEU 23 Ca -0.03 0.25 0.03 0.00 0.08 0.00 0.00 57.88 58.22 3pcc h LEU 23 Cb 1.05 0.68 -0.06 0.00 1.08 0.00 0.00 40.66 43.41 3pcc h LEU 23 CO 0.28 -0.32 -0.51 -0.08 -1.08 0.00 0.00 178.44 176.73 3pcc h GLU 24 N -0.19 -0.57 -0.74 1.13 4.81 -1.87 -0.87 114.58 116.28 3pcc h GLU 24 Ca 0.20 0.04 0.17 0.00 -0.13 0.00 0.00 59.36 59.64 3pcc h GLU 24 Cb 0.56 0.13 -0.12 0.00 0.63 0.00 0.00 28.75 29.94 3pcc h GLU 24 CO -0.73 -0.38 0.06 0.00 -0.73 0.00 0.00 179.01 177.24 3pcc h ALA 25 N -0.22 0.84 0.00 2.92 0.00 -1.54 4.65 119.26 125.91 3pcc h ALA 25 Ca 0.04 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3pcc h ALA 25 Cb 0.68 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3pcc h ALA 25 CO -0.40 -0.41 0.00 0.00 0.00 0.00 0.00 179.25 178.44 3pcc n ALA 26 N -2.84 1.44 -3.15 0.00 0.00 0.03 -4.84 120.51 111.14 3pcc n ALA 26 Ca 0.14 -0.03 -0.15 0.00 0.00 0.00 0.00 53.44 53.40 3pcc n ALA 26 Cb 0.47 -1.15 0.06 0.00 0.00 0.00 0.00 19.45 18.84 3pcc n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3pcc n GLY 27 N -0.56 -0.10 3.41 0.00 0.00 1.53 -4.99 105.19 104.48 3pcc n GLY 27 Ca 0.02 -0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 3pcc n GLY 27 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3pcc s ASN 28 N -3.53 3.13 0.48 1.61 0.01 -0.45 -5.02 114.94 111.16 3pcc s ASN 28 Ca 0.24 -1.02 -0.24 0.00 -0.71 0.00 0.00 52.86 51.13 3pcc s ASN 28 Cb -0.10 -0.23 -0.07 0.00 0.41 0.00 0.00 41.25 41.26 3pcc s ASN 28 CO 0.51 -0.05 1.32 -2.16 -1.51 0.00 0.00 177.10 175.21 3pcc s PRO 29 N -3.54 3.57 0.44 -0.60 0.05 -1.26 -3.96 135.00 129.71 3pcc s PRO 29 Ca 0.26 2.16 0.08 0.00 0.05 0.00 0.00 61.00 63.55 3pcc s PRO 29 Cb -0.03 -2.49 0.02 0.00 0.05 0.00 0.00 34.50 32.05 3pcc s PRO 29 CO 0.11 -0.82 0.59 0.95 0.05 0.00 0.00 177.00 177.88 3pcc s THR 30 N -1.32 2.83 0.57 1.26 -4.23 -1.26 -4.86 115.64 108.63 3pcc s THR 30 Ca 0.64 -1.03 0.05 0.00 -1.18 0.00 0.00 61.69 60.17 3pcc s THR 30 Cb -0.38 -2.87 0.07 0.00 1.34 0.00 0.00 72.50 70.66 3pcc s THR 30 CO 0.47 0.00 0.78 -0.13 -0.54 0.00 0.00 174.62 175.20 3pcc s ARG 31 N -4.38 2.33 0.15 3.99 0.52 -1.26 -5.01 118.95 115.29 3pcc s ARG 31 Ca 0.55 -1.24 -0.22 0.00 -0.52 0.00 0.00 55.73 54.30 3pcc s ARG 31 Cb -0.09 -2.57 0.03 0.00 0.52 0.00 0.00 34.95 32.85 3pcc s ARG 31 CO 0.33 -0.83 1.64 -0.44 0.02 0.00 0.00 175.30 176.02 3pcc h ASP 32 N 0.10 -0.71 -3.18 0.23 3.32 -2.07 -3.39 116.42 110.71 3pcc h ASP 32 Ca -0.36 0.13 -0.67 0.00 0.02 0.00 0.00 57.03 56.15 3pcc h ASP 32 Cb 1.28 0.34 -0.32 0.00 0.22 0.00 0.00 39.33 40.85 3pcc h ASP 32 CO 0.44 -0.26 -0.81 -1.10 -1.72 0.00 0.00 179.24 175.79 3pcc s GLN 33 N -6.10 3.13 0.10 3.56 -0.21 -1.26 -5.12 119.66 113.76 3pcc s GLN 33 Ca -0.15 -0.76 0.09 0.00 0.02 0.00 0.00 55.36 54.56 3pcc s GLN 33 Cb 0.12 -2.72 -0.03 0.00 1.00 0.00 0.00 33.01 31.38 3pcc s GLN 33 CO 0.68 -0.20 -0.22 -1.21 -2.12 0.00 0.00 175.29 172.22 3pcc s GLU 34 N 1.33 1.22 -0.46 2.91 0.41 -1.26 -5.11 118.70 117.74 3pcc s GLU 34 Ca 0.05 -1.17 -0.18 0.00 -0.41 0.00 0.00 54.97 53.26 3pcc s GLU 34 Cb -0.14 -1.51 0.04 0.00 -1.78 0.00 0.00 34.13 30.74 3pcc s GLU 34 CO -0.09 0.36 0.51 0.42 -0.49 0.00 0.00 175.26 175.96 3pcc s ILE 35 N -1.09 5.02 0.00 -1.63 1.01 -1.26 -5.02 121.20 118.23 3pcc s ILE 35 Ca 0.08 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.24 3pcc s ILE 35 Cb -0.10 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 38.22 3pcc s ILE 35 CO 0.04 -0.59 0.00 1.87 0.00 0.00 0.00 174.94 176.26 3pcc n TRP 36 N 5.77 0.00 -0.02 3.97 -0.00 -1.26 -4.56 117.44 121.33 3pcc n TRP 36 Ca -0.07 0.00 0.03 0.00 -0.00 0.00 0.00 57.50 57.46 3pcc n TRP 36 Cb 0.46 0.00 0.22 0.00 -0.00 0.00 0.00 31.31 31.99 3pcc n TRP 36 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 3pcc n ASN 37 N 0.00 3.56 -4.02 5.87 6.94 -0.73 -2.18 115.26 124.69 3pcc n ASN 37 Ca 0.00 -2.51 -0.33 0.00 -0.02 0.00 0.00 54.58 51.72 3pcc n ASN 37 Cb 0.00 -0.60 -0.11 0.00 -2.36 0.00 0.00 39.78 36.70 3pcc n ASN 37 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 3pcc s ARG 38 N -1.95 2.36 0.30 -3.83 6.06 -1.26 -0.81 118.95 119.82 3pcc s ARG 38 Ca 0.29 -2.68 0.15 0.00 -2.50 0.00 0.00 55.73 50.99 3pcc s ARG 38 Cb 0.23 -3.55 0.35 0.00 0.06 0.00 0.00 34.95 32.04 3pcc s ARG 38 CO 0.08 -1.16 1.58 -0.07 -2.50 0.00 0.00 175.30 173.23 3pcc h LEU 39 N 6.61 0.00 -8.69 -0.88 4.07 -1.10 -3.45 115.31 111.87 3pcc h LEU 39 Ca -0.02 0.00 -0.70 0.00 0.08 0.00 0.00 57.88 57.24 3pcc h LEU 39 Cb 0.90 0.00 -0.28 0.00 1.08 0.00 0.00 40.66 42.36 3pcc h LEU 39 CO 0.71 0.53 -0.88 0.00 -1.08 0.00 0.00 178.44 177.73 3pcc s ALA 40 N -3.32 2.23 0.19 1.53 0.00 -1.16 -0.29 121.76 120.94 3pcc s ALA 40 Ca 0.01 -1.17 -0.16 0.00 0.00 0.00 0.00 51.96 50.64 3pcc s ALA 40 Cb 0.10 -0.55 -0.08 0.00 0.00 0.00 0.00 23.12 22.60 3pcc s ALA 40 CO 0.73 0.53 0.62 0.15 0.00 0.00 0.00 175.76 177.80 3pcc s LYS 41 N -0.88 4.06 0.30 0.00 1.02 0.60 -4.89 119.74 119.94 3pcc s LYS 41 Ca 0.11 0.61 0.18 0.00 0.02 0.00 0.00 55.97 56.89 3pcc s LYS 41 Cb -0.10 -2.85 1.08 0.00 -0.52 0.00 0.00 37.83 35.44 3pcc s LYS 41 CO 0.00 0.41 1.22 -2.30 -0.92 0.00 0.00 175.35 173.77 3pcc n PRO 42 N 0.60 -0.04 -0.23 -1.68 -0.02 -1.26 0.21 135.00 132.58 3pcc n PRO 42 Ca -0.03 1.05 0.05 0.00 -2.02 0.00 0.00 63.50 62.55 3pcc n PRO 42 Cb 0.52 -1.93 0.16 0.00 -0.02 0.00 0.00 33.50 32.23 3pcc n PRO 42 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3pcc n ASP 43 N -4.64 2.14 -4.75 2.55 5.75 -1.26 -4.90 116.55 111.44 3pcc n ASP 43 Ca 0.30 -2.08 -0.40 0.00 -0.01 0.00 0.00 54.79 52.59 3pcc n ASP 43 Cb 1.05 -0.30 -0.05 0.00 -1.03 0.00 0.00 41.12 40.80 3pcc n ASP 43 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3pcc s ALA 44 N -1.59 3.39 0.47 2.12 0.00 0.55 -5.00 121.76 121.71 3pcc s ALA 44 Ca 0.24 0.83 -0.22 0.00 0.00 0.00 0.00 51.96 52.81 3pcc s ALA 44 Cb 0.14 -3.31 -0.07 0.00 0.00 0.00 0.00 23.12 19.88 3pcc s ALA 44 CO 0.14 -0.09 1.14 -1.25 0.00 0.00 0.00 175.76 175.70 3pcc s PRO 45 N -1.20 3.72 0.00 0.00 0.04 -1.26 -4.89 135.00 131.41 3pcc s PRO 45 Ca 0.45 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.17 3pcc s PRO 45 Cb -0.30 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 31.92 3pcc s PRO 45 CO 0.38 -0.56 0.00 0.41 0.04 0.00 0.00 177.00 177.27 3pcc n GLY 46 N 0.33 0.90 3.60 0.56 0.00 -1.26 -4.57 105.19 104.75 3pcc n GLY 46 Ca 0.08 -2.22 -0.43 0.00 0.00 0.00 0.00 46.02 43.45 3pcc n GLY 46 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pcc s GLU 47 N -1.15 3.74 0.08 1.61 2.12 -1.26 -4.95 118.70 118.89 3pcc s GLU 47 Ca 0.00 0.55 -0.31 0.00 0.36 0.00 0.00 54.97 55.57 3pcc s GLU 47 Cb 0.00 -3.88 -0.07 0.00 0.26 0.00 0.00 34.13 30.44 3pcc s GLU 47 CO 0.00 -1.26 1.39 -1.01 -0.54 0.00 0.00 175.26 173.84 3pcc s HIS 48 N 4.14 3.13 0.14 5.30 3.76 -1.26 -0.98 115.29 129.52 3pcc s HIS 48 Ca 0.45 0.92 0.01 0.00 -0.15 0.00 0.00 55.06 56.29 3pcc s HIS 48 Cb -0.09 -3.67 -0.04 0.00 1.11 0.00 0.00 32.58 29.89 3pcc s HIS 48 CO 0.28 -2.38 -0.00 0.96 -0.85 0.00 0.00 174.74 172.75 3pcc s ILE 49 N 1.46 0.53 -0.12 0.60 -4.36 0.88 -4.63 121.20 115.56 3pcc s ILE 49 Ca 0.64 -1.95 0.03 0.00 -0.26 0.00 0.00 60.65 59.12 3pcc s ILE 49 Cb -0.35 -1.99 0.00 0.00 1.25 0.00 0.00 42.46 41.37 3pcc s ILE 49 CO 0.29 -0.58 -0.22 -0.22 0.24 0.00 0.00 174.94 174.45 3pcc s LEU 50 N -3.11 2.15 -0.06 0.37 2.96 -0.65 -1.68 118.68 118.67 3pcc s LEU 50 Ca 0.21 -0.56 0.00 0.00 -0.22 0.00 0.00 54.13 53.56 3pcc s LEU 50 Cb 0.06 -1.44 -0.03 0.00 0.50 0.00 0.00 46.19 45.28 3pcc s LEU 50 CO 0.01 0.13 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.38 3pcc s LEU 51 N 0.52 3.35 0.09 -0.68 1.43 0.41 -1.41 118.68 122.39 3pcc s LEU 51 Ca -0.14 0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 52.86 3pcc s LEU 51 Cb -0.17 -1.79 0.01 0.00 0.03 0.00 0.00 46.19 44.28 3pcc s LEU 51 CO 0.05 0.35 0.28 -1.48 0.23 0.00 0.00 176.35 175.78 3pcc s LEU 52 N -1.00 0.98 0.00 1.79 -0.00 -0.85 -0.77 118.68 118.83 3pcc s LEU 52 Ca 0.14 -0.46 0.00 0.00 -0.00 0.00 0.00 54.13 53.81 3pcc s LEU 52 Cb -0.11 1.37 0.00 0.00 -0.00 0.00 0.00 46.19 47.45 3pcc s LEU 52 CO 0.04 -0.76 0.00 0.61 -0.00 0.00 0.00 176.35 176.24 3pcc n GLY 53 N -0.02 0.07 3.50 -3.48 0.00 -1.03 -1.32 105.19 102.91 3pcc n GLY 53 Ca -0.16 -0.86 -0.24 0.00 0.00 0.00 0.00 46.02 44.76 3pcc n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3pcc s GLN 54 N -2.00 1.72 -0.08 1.61 -0.21 -1.26 -1.78 119.66 117.67 3pcc s GLN 54 Ca 0.00 -1.87 0.03 0.00 0.02 0.00 0.00 55.36 53.53 3pcc s GLN 54 Cb 0.00 -1.56 0.01 0.00 1.00 0.00 0.00 33.01 32.46 3pcc s GLN 54 CO 0.00 0.14 -0.16 0.08 -2.12 0.00 0.00 175.29 173.23 3pcc s VAL 55 N -2.71 1.42 0.03 1.09 1.01 -1.26 -1.53 120.40 118.46 3pcc s VAL 55 Ca 0.31 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 61.72 3pcc s VAL 55 Cb 0.02 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 3pcc s VAL 55 CO 0.15 0.42 -0.18 -0.31 0.00 0.00 0.00 175.10 175.18 3pcc s TYR 56 N 0.61 2.57 0.75 5.22 1.51 0.04 -0.14 117.35 127.91 3pcc s TYR 56 Ca -0.15 -0.25 -0.05 0.00 -1.01 0.00 0.00 57.07 55.60 3pcc s TYR 56 Cb -0.16 -1.48 0.16 0.00 -0.11 0.00 0.00 41.96 40.37 3pcc s TYR 56 CO 0.05 0.24 1.03 -0.40 -1.11 0.00 0.00 175.55 175.35 3pcc n ASP 57 N 1.64 0.85 0.30 2.29 5.68 0.82 -1.11 116.55 127.04 3pcc n ASP 57 Ca -0.16 -1.85 0.20 0.00 -0.50 0.00 0.00 54.79 52.48 3pcc n ASP 57 Cb 0.52 -0.72 0.99 0.00 -1.14 0.00 0.00 41.12 40.77 3pcc n ASP 57 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3pcc h GLY 58 N -0.92 0.00 -1.80 6.12 0.00 -1.88 -1.22 103.07 103.38 3pcc h GLY 58 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.99 3pcc h GLY 58 CO 0.31 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.55 3pcc n ASN 59 N -3.00 2.87 0.00 0.19 3.02 -1.26 -4.79 115.26 112.29 3pcc n ASN 59 Ca -0.02 -1.92 0.00 0.00 -0.03 0.00 0.00 54.58 52.62 3pcc n ASN 59 Cb 0.15 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 3pcc n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pcc n GLY 60 N 1.36 0.44 3.90 7.41 0.00 -0.46 -5.06 105.19 112.79 3pcc n GLY 60 Ca 0.16 -0.96 -0.33 0.00 0.00 0.00 0.00 46.02 44.89 3pcc n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3pcc s HIS 61 N -2.00 3.55 0.38 1.61 3.76 -1.26 -4.80 115.29 116.53 3pcc s HIS 61 Ca 0.00 0.37 -0.27 0.00 -0.15 0.00 0.00 55.06 55.01 3pcc s HIS 61 Cb 0.00 -1.84 -0.09 0.00 1.11 0.00 0.00 32.58 31.75 3pcc s HIS 61 CO 0.00 0.63 1.30 -0.51 -0.85 0.00 0.00 174.74 175.31 3pcc s LEU 62 N -1.99 4.29 -0.62 0.89 1.43 -1.26 -0.12 118.68 121.30 3pcc s LEU 62 Ca 0.28 2.66 -0.16 0.00 -1.03 0.00 0.00 54.13 55.88 3pcc s LEU 62 Cb -0.13 -3.81 0.14 0.00 0.03 0.00 0.00 46.19 42.42 3pcc s LEU 62 CO 0.19 -0.73 0.60 -0.69 0.23 0.00 0.00 176.35 175.96 3pcc s VAL 63 N -1.22 5.21 -1.26 -1.59 1.01 0.80 -4.84 120.40 118.52 3pcc s VAL 63 Ca 0.54 -1.61 0.06 0.00 0.00 0.00 0.00 61.98 60.97 3pcc s VAL 63 Cb -0.38 -4.40 0.27 0.00 0.00 0.00 0.00 36.38 31.86 3pcc s VAL 63 CO 0.50 -0.96 1.05 0.54 0.00 0.00 0.00 175.10 176.23 3pcc n ARG 64 N 5.21 2.06 -1.05 2.72 1.74 -1.26 -3.97 116.66 122.11 3pcc n ARG 64 Ca -0.07 -1.04 0.04 0.00 -0.77 0.00 0.00 57.85 56.00 3pcc n ARG 64 Cb 0.42 -1.54 0.05 0.00 -1.02 0.00 0.00 32.46 30.37 3pcc n ARG 64 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3pcc n ASP 65 N 0.24 0.92 -4.85 0.55 5.68 -1.26 -3.88 116.55 113.94 3pcc n ASP 65 Ca 0.09 -2.31 -0.32 0.00 -0.50 0.00 0.00 54.79 51.76 3pcc n ASP 65 Cb 0.44 -0.31 -0.02 0.00 -1.14 0.00 0.00 41.12 40.08 3pcc n ASP 65 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3pcc s SER 66 N -1.96 6.52 -0.03 -1.12 1.04 -1.25 -4.57 113.70 112.32 3pcc s SER 66 Ca 0.26 1.53 0.02 0.00 0.48 0.00 0.00 55.95 58.23 3pcc s SER 66 Cb 0.28 -2.50 0.01 0.00 0.10 0.00 0.00 66.02 63.91 3pcc s SER 66 CO -0.10 -0.66 -0.07 0.12 0.98 0.00 0.00 173.24 173.51 3pcc s PHE 67 N -2.77 0.78 0.06 5.02 5.36 0.25 -2.36 117.98 124.33 3pcc s PHE 67 Ca 0.58 -0.19 0.03 0.00 -0.96 0.00 0.00 56.93 56.39 3pcc s PHE 67 Cb -0.10 -0.59 -0.03 0.00 -0.34 0.00 0.00 43.02 41.96 3pcc s PHE 67 CO 0.37 -0.11 -0.09 -0.51 -1.46 0.00 0.00 175.22 173.42 3pcc s LEU 68 N 0.35 2.31 0.00 6.12 1.02 -0.43 -0.27 118.68 127.79 3pcc s LEU 68 Ca -0.05 -0.65 0.07 0.00 0.02 0.00 0.00 54.13 53.52 3pcc s LEU 68 Cb -0.09 -0.24 -0.02 0.00 0.02 0.00 0.00 46.19 45.86 3pcc s LEU 68 CO 0.00 -0.22 -0.20 -1.61 0.02 0.00 0.00 176.35 174.34 3pcc s GLU 69 N -2.04 1.55 0.07 1.70 2.02 -0.77 -1.46 118.70 119.77 3pcc s GLU 69 Ca -0.04 -0.80 0.07 0.00 0.02 0.00 0.00 54.97 54.22 3pcc s GLU 69 Cb -0.07 -1.56 -0.03 0.00 0.10 0.00 0.00 34.13 32.57 3pcc s GLU 69 CO 0.00 0.42 -0.18 0.14 0.02 0.00 0.00 175.26 175.65 3pcc s VAL 70 N -0.59 1.49 -0.03 2.63 -7.23 -0.43 -0.60 120.40 115.64 3pcc s VAL 70 Ca 0.08 -1.32 0.00 0.00 -1.81 0.00 0.00 61.98 58.93 3pcc s VAL 70 Cb -0.08 -1.35 0.03 0.00 0.56 0.00 0.00 36.38 35.53 3pcc s VAL 70 CO 0.00 -0.01 0.00 0.86 -0.31 0.00 0.00 175.10 175.64 3pcc s TRP 71 N -1.04 0.33 0.00 2.82 -0.00 -0.29 -2.14 118.94 118.63 3pcc s TRP 71 Ca 0.04 0.00 -0.20 0.00 -0.00 0.00 0.00 56.10 55.94 3pcc s TRP 71 Cb -0.09 -0.45 0.04 0.00 -0.00 0.00 0.00 33.47 32.97 3pcc s TRP 71 CO 0.03 -0.15 0.45 1.14 -0.00 0.00 0.00 176.95 178.42 3pcc s GLN 72 N 1.16 0.88 0.92 5.86 -2.07 -0.19 -0.41 119.66 125.80 3pcc s GLN 72 Ca -0.08 -0.15 -0.12 0.00 -1.82 0.00 0.00 55.36 53.19 3pcc s GLN 72 Cb -0.13 0.40 0.14 0.00 -1.09 0.00 0.00 33.01 32.32 3pcc s GLN 72 CO -0.02 -0.28 1.10 0.00 -1.32 0.00 0.00 175.29 174.77 3pcc s ALA 73 N -1.79 1.52 0.81 2.60 0.00 -1.26 -4.47 121.76 119.16 3pcc s ALA 73 Ca -0.09 -0.29 -0.06 0.00 0.00 0.00 0.00 51.96 51.52 3pcc s ALA 73 Cb -0.02 -3.12 0.12 0.00 0.00 0.00 0.00 23.12 20.10 3pcc s ALA 73 CO 0.03 -2.39 0.76 -0.40 0.00 0.00 0.00 175.76 173.75 3pcc n ASP 74 N -3.88 0.47 0.07 0.00 5.68 0.48 -4.50 116.55 114.87 3pcc n ASP 74 Ca 0.06 -1.53 0.13 0.00 -0.50 0.00 0.00 54.79 52.95 3pcc n ASP 74 Cb 0.57 -0.54 0.61 0.00 -1.14 0.00 0.00 41.12 40.61 3pcc n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3pcc h ALA 75 N -1.21 2.16 -0.23 2.12 0.00 -1.81 0.71 119.26 121.00 3pcc h ALA 75 Ca -0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3pcc h ALA 75 Cb 0.79 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3pcc h ALA 75 CO 0.21 -0.25 0.00 0.09 0.00 0.00 0.00 179.25 179.31 3pcc n ASN 76 N -4.46 1.32 -1.55 0.00 3.02 -1.26 -3.68 115.26 108.65 3pcc n ASN 76 Ca 0.05 -2.01 -0.10 0.00 -0.03 0.00 0.00 54.58 52.49 3pcc n ASN 76 Cb 0.34 -0.18 0.02 0.00 -0.61 0.00 0.00 39.78 39.35 3pcc n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pcc n GLY 77 N 0.84 0.19 3.28 7.41 0.00 0.23 -4.80 105.19 112.34 3pcc n GLY 77 Ca 0.08 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 3pcc n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3pcc s GLU 78 N -5.16 1.81 -0.22 1.61 2.02 -1.24 -4.68 118.70 112.84 3pcc s GLU 78 Ca 0.16 -0.91 -0.21 0.00 0.02 0.00 0.00 54.97 54.04 3pcc s GLU 78 Cb -0.07 -1.82 -0.02 0.00 0.10 0.00 0.00 34.13 32.32 3pcc s GLU 78 CO 0.20 0.49 0.65 0.71 0.02 0.00 0.00 175.26 177.33 3pcc s TYR 79 N -0.63 3.34 -0.91 1.61 2.02 -1.26 0.18 117.35 121.69 3pcc s TYR 79 Ca 0.09 0.92 -0.14 0.00 -0.37 0.00 0.00 57.07 57.57 3pcc s TYR 79 Cb -0.09 -2.84 0.21 0.00 -0.40 0.00 0.00 41.96 38.84 3pcc s TYR 79 CO 0.00 -0.25 0.92 -0.65 -1.57 0.00 0.00 175.55 174.00 3pcc s GLN 80 N 2.21 3.73 0.30 -0.62 -1.52 -1.26 -4.92 119.66 117.57 3pcc s GLN 80 Ca 0.29 -2.47 0.12 0.00 -1.95 0.00 0.00 55.36 51.35 3pcc s GLN 80 Cb -0.16 -4.57 0.45 0.00 -0.22 0.00 0.00 33.01 28.51 3pcc s GLN 80 CO 0.09 -1.39 1.65 0.38 -0.25 0.00 0.00 175.29 175.77 3pcc h ASP 81 N 7.75 0.00 -1.29 5.90 2.03 -1.98 -3.29 116.42 125.54 3pcc h ASP 81 Ca 0.14 0.00 -0.51 0.00 -0.73 0.00 0.00 57.03 55.93 3pcc h ASP 81 Cb 1.00 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 39.42 3pcc h ASP 81 CO 0.88 0.55 1.24 0.00 -1.03 0.00 0.00 179.24 180.89 3pcc s ALA 82 N -3.65 2.44 0.20 4.15 0.00 -1.26 -4.97 121.76 118.68 3pcc s ALA 82 Ca -0.01 -1.83 -0.31 0.00 0.00 0.00 0.00 51.96 49.81 3pcc s ALA 82 Cb 0.12 -4.47 -0.10 0.00 0.00 0.00 0.00 23.12 18.67 3pcc s ALA 82 CO 0.74 -3.85 1.47 -0.47 0.00 0.00 0.00 175.76 173.66 3pcc s TYR 83 N 6.54 3.06 -0.28 0.00 5.04 -1.26 -5.01 117.35 125.45 3pcc s TYR 83 Ca 0.51 0.89 -0.19 0.00 -2.44 0.00 0.00 57.07 55.84 3pcc s TYR 83 Cb -0.04 -3.84 0.08 0.00 0.35 0.00 0.00 41.96 38.52 3pcc s TYR 83 CO -0.02 -2.87 0.71 1.21 -1.34 0.00 0.00 175.55 173.24 3pcc s ASN 84 N 0.71 -0.88 0.22 4.32 3.84 -1.26 -5.04 114.94 116.85 3pcc s ASN 84 Ca 0.63 1.48 0.22 0.00 0.21 0.00 0.00 52.86 55.41 3pcc s ASN 84 Cb -0.42 1.41 0.93 0.00 -0.55 0.00 0.00 41.25 42.62 3pcc s ASN 84 CO 0.38 -0.24 1.68 0.18 -2.79 0.00 0.00 177.10 176.31 3pcc n LEU 85 N 3.83 0.58 0.09 3.21 4.77 -1.26 -2.28 117.00 125.94 3pcc n LEU 85 Ca -0.18 0.64 -0.16 0.00 -0.03 0.00 0.00 56.01 56.28 3pcc n LEU 85 Cb 0.58 -0.56 -0.14 0.00 -2.33 0.00 0.00 43.42 40.97 3pcc n LEU 85 CO -0.00 -0.51 -0.13 -0.33 -1.33 0.00 0.00 177.39 175.08 3pcc h GLU 86 N 0.00 0.25 -6.41 3.23 5.08 -2.00 -3.47 114.58 111.26 3pcc h GLU 86 Ca 0.00 -0.42 -0.58 0.00 -1.00 0.00 0.00 59.36 57.36 3pcc h GLU 86 Cb 0.36 0.16 0.18 0.00 0.50 0.00 0.00 28.75 29.94 3pcc h GLU 86 CO 0.00 1.16 -0.57 0.09 -1.00 0.00 0.00 179.01 178.70 3pcc n ASN 87 N -3.49 -1.65 0.08 1.42 3.02 -0.97 -4.89 115.26 108.79 3pcc n ASN 87 Ca -0.10 0.70 -0.13 0.00 -0.03 0.00 0.00 54.58 55.02 3pcc n ASN 87 Cb 1.03 -1.11 -0.07 0.00 -0.61 0.00 0.00 39.78 39.02 3pcc n ASN 87 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3pcc h ALA 88 N 0.12 0.32 -3.67 5.41 0.00 -1.91 -3.44 119.26 116.08 3pcc h ALA 88 Ca -0.45 -0.77 -0.25 0.00 0.00 0.00 0.00 54.91 53.44 3pcc h ALA 88 Cb 1.40 -0.03 -0.27 0.00 0.00 0.00 0.00 17.79 18.90 3pcc h ALA 88 CO 0.45 0.90 -0.73 0.12 0.00 0.00 0.00 179.25 179.99 3pcc s PHE 89 N -3.05 0.20 -0.03 0.00 5.36 -1.26 0.22 117.98 119.42 3pcc s PHE 89 Ca -0.04 -0.11 0.04 0.00 -0.96 0.00 0.00 56.93 55.86 3pcc s PHE 89 Cb 0.09 -0.13 -0.01 0.00 -0.34 0.00 0.00 43.02 42.63 3pcc s PHE 89 CO 0.86 -0.03 -0.16 -0.80 -1.46 0.00 0.00 175.22 173.63 3pcc s ASN 90 N -0.27 2.00 0.00 6.13 0.01 0.60 -4.97 114.94 118.44 3pcc s ASN 90 Ca -0.02 -0.32 0.25 0.00 -0.71 0.00 0.00 52.86 52.06 3pcc s ASN 90 Cb -0.02 -0.42 1.11 0.00 0.41 0.00 0.00 41.25 42.33 3pcc s ASN 90 CO -0.00 0.17 1.81 -1.20 -1.51 0.00 0.00 177.10 176.36 3pcc n SER 91 N 2.97 0.00 -4.36 -1.22 7.64 -1.24 -4.74 113.62 112.67 3pcc n SER 91 Ca -0.17 0.37 -0.30 0.00 1.01 0.00 0.00 58.87 59.78 3pcc n SER 91 Cb 0.54 -0.45 -0.14 0.00 -1.01 0.00 0.00 64.21 63.14 3pcc n SER 91 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3pcc s PHE 92 N -2.90 2.33 0.31 1.43 5.36 -1.26 -1.03 117.98 122.22 3pcc s PHE 92 Ca 0.15 -0.40 -0.15 0.00 -0.96 0.00 0.00 56.93 55.57 3pcc s PHE 92 Cb 0.16 -1.35 0.02 0.00 -0.34 0.00 0.00 43.02 41.51 3pcc s PHE 92 CO 0.44 0.20 0.66 0.20 -1.46 0.00 0.00 175.22 175.25 3pcc s GLY 93 N -1.50 0.37 -0.02 13.12 0.00 -0.91 -4.85 107.32 113.53 3pcc s GLY 93 Ca 0.13 -0.71 -0.05 0.00 0.00 0.00 0.00 44.72 44.09 3pcc s GLY 93 CO 0.03 -0.38 0.10 0.50 0.00 0.00 0.00 173.10 173.36 3pcc s ARG 94 N -3.37 0.29 0.30 2.90 0.52 -0.93 -1.32 118.95 117.34 3pcc s ARG 94 Ca 0.17 -0.15 -0.04 0.00 -0.52 0.00 0.00 55.73 55.20 3pcc s ARG 94 Cb -0.04 0.12 -0.01 0.00 0.52 0.00 0.00 34.95 35.55 3pcc s ARG 94 CO 0.10 -0.06 0.42 -0.08 0.02 0.00 0.00 175.30 175.71 3pcc s THR 95 N -0.67 0.00 0.18 0.02 -1.32 -0.54 -1.77 115.64 111.54 3pcc s THR 95 Ca -0.08 -1.63 -0.16 0.00 -1.21 0.00 0.00 61.69 58.62 3pcc s THR 95 Cb -0.05 -2.52 0.02 0.00 -1.51 0.00 0.00 72.50 68.44 3pcc s THR 95 CO 0.01 0.00 0.46 0.00 -2.21 0.00 0.00 174.62 172.88 3pcc s ALA 96 N -3.41 -0.76 -0.04 11.08 0.00 -1.26 -1.31 121.76 126.05 3pcc s ALA 96 Ca 0.30 -0.33 -0.10 0.00 0.00 0.00 0.00 51.96 51.84 3pcc s ALA 96 Cb 0.01 0.83 -0.05 0.00 0.00 0.00 0.00 23.12 23.91 3pcc s ALA 96 CO 0.17 -0.75 0.28 0.95 0.00 0.00 0.00 175.76 176.41 3pcc s THR 97 N -3.88 5.27 0.26 0.00 -4.23 -1.00 -4.14 115.64 107.92 3pcc s THR 97 Ca 0.10 0.44 -0.30 0.00 -1.18 0.00 0.00 61.69 60.75 3pcc s THR 97 Cb 0.00 -3.56 -0.11 0.00 1.34 0.00 0.00 72.50 70.17 3pcc s THR 97 CO -0.03 0.53 1.57 0.42 -0.54 0.00 0.00 174.62 176.57 3pcc s THR 98 N -1.12 2.27 0.23 3.99 -4.23 -1.15 -4.51 115.64 111.12 3pcc s THR 98 Ca 0.22 0.22 0.36 0.00 -1.18 0.00 0.00 61.69 61.30 3pcc s THR 98 Cb -0.14 -3.14 0.38 0.00 1.34 0.00 0.00 72.50 70.94 3pcc s THR 98 CO 0.11 0.03 2.08 -0.26 -0.54 0.00 0.00 174.62 176.03 3pcc h PHE 99 N 5.40 0.00 0.00 3.99 0.04 -1.96 0.39 116.94 124.80 3pcc h PHE 99 Ca -0.46 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.31 3pcc h PHE 99 Cb 1.21 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.36 3pcc h PHE 99 CO 0.60 0.00 0.00 -0.40 -0.60 0.00 0.00 178.31 177.91 3pcc n ASP 100 N -2.88 0.00 -0.06 2.17 5.75 -1.26 -4.72 116.55 115.55 3pcc n ASP 100 Ca -0.01 0.00 -0.11 0.00 -0.01 0.00 0.00 54.79 54.65 3pcc n ASP 100 Cb 0.16 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.27 3pcc n ASP 100 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3pcc h ALA 101 N -2.00 0.64 0.00 2.12 0.00 -1.97 -3.48 119.26 114.56 3pcc h ALA 101 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3pcc h ALA 101 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3pcc h ALA 101 CO 0.00 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.33 3pcc n GLY 102 N 0.17 0.79 3.42 0.00 0.00 0.13 -4.93 105.19 104.77 3pcc n GLY 102 Ca -0.03 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 3pcc n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pcc s GLU 103 N -2.85 1.94 0.23 1.61 2.12 -1.26 -4.29 118.70 116.21 3pcc s GLU 103 Ca 0.00 -1.05 0.09 0.00 0.36 0.00 0.00 54.97 54.37 3pcc s GLU 103 Cb 0.00 -2.11 -0.04 0.00 0.26 0.00 0.00 34.13 32.24 3pcc s GLU 103 CO 0.00 0.52 0.00 1.67 -0.54 0.00 0.00 175.26 176.92 3pcc s TRP 104 N -0.90 2.76 -0.01 5.30 1.48 -0.73 -2.92 118.94 123.91 3pcc s TRP 104 Ca 0.14 -0.19 -0.08 0.00 -1.06 0.00 0.00 56.10 54.90 3pcc s TRP 104 Cb -0.10 -1.27 0.01 0.00 -1.16 0.00 0.00 33.47 30.95 3pcc s TRP 104 CO 0.04 0.58 0.17 0.95 -4.06 0.00 0.00 176.95 174.63 3pcc s THR 105 N -2.09 0.07 -0.00 0.66 -4.23 -1.26 -2.47 115.64 106.31 3pcc s THR 105 Ca 0.30 -0.57 -0.01 0.00 -1.18 0.00 0.00 61.69 60.22 3pcc s THR 105 Cb -0.07 -0.44 -0.00 0.00 1.34 0.00 0.00 72.50 73.32 3pcc s THR 105 CO 0.19 -0.31 0.02 -0.22 -0.54 0.00 0.00 174.62 173.76 3pcc s LEU 106 N -1.19 1.98 -0.28 4.79 2.96 0.05 -4.85 118.68 122.13 3pcc s LEU 106 Ca -0.13 -0.12 -0.03 0.00 -0.22 0.00 0.00 54.13 53.63 3pcc s LEU 106 Cb -0.06 0.13 0.03 0.00 0.50 0.00 0.00 46.19 46.78 3pcc s LEU 106 CO 0.02 -0.11 -0.00 -1.00 -1.32 0.00 0.00 176.35 173.93 3pcc s HIS 107 N -0.49 3.16 0.00 5.38 3.76 0.01 -0.45 115.29 126.66 3pcc s HIS 107 Ca -0.05 -1.54 0.00 0.00 -0.15 0.00 0.00 55.06 53.32 3pcc s HIS 107 Cb -0.03 -2.13 0.00 0.00 1.11 0.00 0.00 32.58 31.53 3pcc s HIS 107 CO -0.00 -0.72 0.00 -2.37 -0.85 0.00 0.00 174.74 170.79 3pcc n THR 108 N 4.70 0.00 -4.32 1.30 5.66 -0.68 -0.53 114.28 120.42 3pcc n THR 108 Ca -0.15 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.61 3pcc n THR 108 Cb 0.46 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.12 3pcc n THR 108 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 3pcc s VAL 109 N -1.92 1.82 0.09 1.08 -7.23 -1.26 -0.08 120.40 112.89 3pcc s VAL 109 Ca 0.00 -1.70 -0.31 0.00 -1.81 0.00 0.00 61.98 58.16 3pcc s VAL 109 Cb 0.00 -1.71 -0.08 0.00 0.56 0.00 0.00 36.38 35.15 3pcc s VAL 109 CO 0.00 -0.13 1.52 -0.75 -0.31 0.00 0.00 175.10 175.43 3pcc s LYS 110 N -2.23 4.25 0.53 4.82 2.20 -0.15 -4.89 119.74 124.27 3pcc s LYS 110 Ca 0.11 2.20 -0.19 0.00 -0.36 0.00 0.00 55.97 57.72 3pcc s LYS 110 Cb -0.09 -3.41 -0.06 0.00 -1.51 0.00 0.00 37.83 32.76 3pcc s LYS 110 CO 0.05 -0.60 1.09 -1.25 -0.36 0.00 0.00 175.35 174.28 3pcc s PRO 111 N 1.90 3.49 0.86 4.03 0.04 -1.26 -4.17 135.00 139.88 3pcc s PRO 111 Ca 0.69 1.48 -0.13 0.00 0.04 0.00 0.00 61.00 63.08 3pcc s PRO 111 Cb -0.38 -2.04 0.13 0.00 0.04 0.00 0.00 34.50 32.25 3pcc s PRO 111 CO 0.30 -0.71 1.22 0.20 0.04 0.00 0.00 177.00 178.05 3pcc s GLY 112 N -1.95 1.69 0.11 0.56 0.00 -0.01 -4.74 107.32 102.97 3pcc s GLY 112 Ca 0.70 -0.95 -0.17 0.00 0.00 0.00 0.00 44.72 44.30 3pcc s GLY 112 CO 0.26 -0.35 0.55 0.14 0.00 0.00 0.00 173.10 173.70 3pcc s VAL 113 N -3.66 4.81 0.16 1.40 1.01 -1.26 -4.48 120.40 118.37 3pcc s VAL 113 Ca 0.67 1.00 0.08 0.00 0.00 0.00 0.00 61.98 63.73 3pcc s VAL 113 Cb -0.08 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 3pcc s VAL 113 CO 0.50 0.40 -0.17 0.68 0.00 0.00 0.00 175.10 176.51 3pcc s VAL 114 N -1.29 1.71 0.13 2.92 -7.23 -1.26 -4.61 120.40 110.77 3pcc s VAL 114 Ca 0.33 -1.89 -0.08 0.00 -1.81 0.00 0.00 61.98 58.53 3pcc s VAL 114 Cb -0.17 -1.79 -0.06 0.00 0.56 0.00 0.00 36.38 34.92 3pcc s VAL 114 CO 0.19 -0.35 0.43 0.20 -0.31 0.00 0.00 175.10 175.25 3pcc s ASN 115 N -2.66 6.60 1.01 4.85 -0.87 -1.26 -0.59 114.94 122.02 3pcc s ASN 115 Ca 0.15 0.76 -0.14 0.00 -1.57 0.00 0.00 52.86 52.06 3pcc s ASN 115 Cb -0.05 -2.16 0.19 0.00 -0.02 0.00 0.00 41.25 39.21 3pcc s ASN 115 CO 0.06 0.08 1.12 -0.46 -2.57 0.00 0.00 177.10 175.33 3pcc n ASN 116 N 0.41 -0.01 0.15 -1.22 6.94 0.13 -4.86 115.26 116.80 3pcc n ASN 116 Ca -0.04 -1.39 0.05 0.00 -0.02 0.00 0.00 54.58 53.18 3pcc n ASN 116 Cb 0.52 -0.86 0.51 0.00 -2.36 0.00 0.00 39.78 37.59 3pcc n ASN 116 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3pcc h ALA 117 N -1.86 1.79 0.00 -2.53 0.00 -1.99 -0.56 119.26 114.10 3pcc h ALA 117 Ca -0.36 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3pcc h ALA 117 Cb 1.01 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3pcc h ALA 117 CO 0.26 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.68 3pcc n ALA 118 N -2.51 2.65 -0.53 0.00 0.00 -1.26 -4.89 120.51 113.98 3pcc n ALA 118 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3pcc n ALA 118 Cb 0.13 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.08 3pcc n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3pcc n GLY 119 N 0.93 0.74 3.71 0.00 0.00 -0.22 -5.05 105.19 105.30 3pcc n GLY 119 Ca 0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 3pcc n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pcc s VAL 120 N -2.04 5.31 0.40 1.61 1.01 -1.26 -4.79 120.40 120.64 3pcc s VAL 120 Ca 0.00 0.47 -0.26 0.00 0.00 0.00 0.00 61.98 62.19 3pcc s VAL 120 Cb 0.00 -3.61 -0.09 0.00 0.00 0.00 0.00 36.38 32.69 3pcc s VAL 120 CO 0.00 0.36 1.26 -2.16 0.00 0.00 0.00 175.10 174.56 3pcc s PRO 121 N 0.69 4.01 0.19 2.72 0.04 -1.26 0.18 135.00 141.56 3pcc s PRO 121 Ca 0.14 2.06 0.04 0.00 0.04 0.00 0.00 61.00 63.29 3pcc s PRO 121 Cb -0.13 -2.74 -0.03 0.00 0.04 0.00 0.00 34.50 31.63 3pcc s PRO 121 CO 0.04 -0.43 0.28 -1.64 0.04 0.00 0.00 177.00 175.29 3pcc s MET 122 N -2.23 3.31 0.43 4.56 -1.94 0.24 -4.49 119.30 119.18 3pcc s MET 122 Ca 0.57 -0.74 -0.22 0.00 -1.71 0.00 0.00 55.69 53.58 3pcc s MET 122 Cb -0.36 -2.85 -0.09 0.00 2.01 0.00 0.00 34.83 33.54 3pcc s MET 122 CO 0.46 0.47 1.02 0.00 -0.01 0.00 0.00 175.02 176.96 3pcc s ALA 123 N -1.87 3.01 0.11 3.03 0.00 -1.26 -4.28 121.76 120.50 3pcc s ALA 123 Ca 0.34 0.59 -0.35 0.00 0.00 0.00 0.00 51.96 52.54 3pcc s ALA 123 Cb -0.10 -3.23 -0.17 0.00 0.00 0.00 0.00 23.12 19.62 3pcc s ALA 123 CO 0.28 -0.15 1.12 -2.30 0.00 0.00 0.00 175.76 174.71 3pcc n PRO 124 N -0.47 0.77 -3.53 0.00 -0.02 -1.26 -4.91 135.00 125.57 3pcc n PRO 124 Ca 0.07 0.28 -0.13 0.00 -2.02 0.00 0.00 63.50 61.69 3pcc n PRO 124 Cb 0.52 -1.76 -0.04 0.00 -0.02 0.00 0.00 33.50 32.19 3pcc n PRO 124 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3pcc s HIS 125 N -0.06 -0.44 -0.18 6.00 -3.43 -1.26 -4.40 115.29 111.52 3pcc s HIS 125 Ca 0.79 0.40 -0.03 0.00 -0.80 0.00 0.00 55.06 55.42 3pcc s HIS 125 Cb -0.98 0.40 -0.02 0.00 -1.43 0.00 0.00 32.58 30.55 3pcc s HIS 125 CO 0.52 -0.71 -0.06 0.42 -2.00 0.00 0.00 174.74 172.92 3pcc s ILE 126 N -2.92 3.48 0.02 -5.38 1.01 -0.72 -4.63 121.20 112.06 3pcc s ILE 126 Ca -0.03 -0.48 -0.26 0.00 0.00 0.00 0.00 60.65 59.88 3pcc s ILE 126 Cb -0.00 -2.54 -0.05 0.00 0.01 0.00 0.00 42.46 39.88 3pcc s ILE 126 CO -0.06 0.47 0.80 0.20 0.00 0.00 0.00 174.94 176.35 3pcc s ASN 127 N 0.83 7.21 0.02 3.58 0.01 0.45 -0.81 114.94 126.22 3pcc s ASN 127 Ca -0.02 1.45 0.05 0.00 -0.71 0.00 0.00 52.86 53.63 3pcc s ASN 127 Cb -0.15 -2.48 -0.02 0.00 0.41 0.00 0.00 41.25 39.02 3pcc s ASN 127 CO 0.01 -0.06 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.75 3pcc s ILE 128 N 0.30 1.30 -0.07 0.60 1.01 -0.39 -1.13 121.20 122.81 3pcc s ILE 128 Ca 0.41 -0.89 0.05 0.00 0.00 0.00 0.00 60.65 60.21 3pcc s ILE 128 Cb -0.20 -1.12 -0.00 0.00 0.01 0.00 0.00 42.46 41.14 3pcc s ILE 128 CO 0.23 0.21 -0.23 -0.44 0.00 0.00 0.00 174.94 174.71 3pcc s SER 129 N -0.79 2.88 -0.08 3.58 0.01 0.23 -1.47 113.70 118.05 3pcc s SER 129 Ca 0.05 -0.50 0.01 0.00 1.31 0.00 0.00 55.95 56.82 3pcc s SER 129 Cb -0.07 -1.05 -0.02 0.00 0.21 0.00 0.00 66.02 65.08 3pcc s SER 129 CO 0.01 0.18 -0.11 -0.22 0.41 0.00 0.00 173.24 173.51 3pcc s LEU 130 N 0.13 2.92 0.03 2.44 2.96 0.40 -1.85 118.68 125.71 3pcc s LEU 130 Ca -0.11 -0.16 0.03 0.00 -0.22 0.00 0.00 54.13 53.67 3pcc s LEU 130 Cb -0.15 -1.63 -0.02 0.00 0.50 0.00 0.00 46.19 44.89 3pcc s LEU 130 CO 0.06 0.30 -0.10 -0.36 -1.32 0.00 0.00 176.35 174.92 3pcc s PHE 131 N -0.42 0.87 -0.18 5.38 0.40 0.63 -2.10 117.98 122.57 3pcc s PHE 131 Ca 0.05 -0.33 -0.35 0.00 -0.60 0.00 0.00 56.93 55.70 3pcc s PHE 131 Cb -0.12 -0.53 0.14 0.00 0.51 0.00 0.00 43.02 43.03 3pcc s PHE 131 CO 0.02 -0.01 1.34 0.00 0.70 0.00 0.00 175.22 177.27 3pcc s ALA 132 N -0.81 -2.24 0.43 5.36 0.00 -1.26 -0.58 121.76 122.65 3pcc s ALA 132 Ca -0.02 1.43 -0.26 0.00 0.00 0.00 0.00 51.96 53.11 3pcc s ALA 132 Cb -0.07 -0.07 -0.09 0.00 0.00 0.00 0.00 23.12 22.89 3pcc s ALA 132 CO 0.01 -0.75 1.43 -0.98 0.00 0.00 0.00 175.76 175.46 3pcc s ARG 133 N -2.19 3.80 0.00 0.00 1.70 -1.25 -1.87 118.95 119.14 3pcc s ARG 133 Ca 0.12 2.43 0.00 0.00 -0.47 0.00 0.00 55.73 57.81 3pcc s ARG 133 Cb 0.02 -2.73 0.00 0.00 -0.57 0.00 0.00 34.95 31.67 3pcc s ARG 133 CO -0.04 -0.73 0.00 0.41 -1.08 0.00 0.00 175.30 173.86 3pcc n GLY 134 N 0.56 1.30 3.25 3.88 0.00 -1.26 -4.99 105.19 107.94 3pcc n GLY 134 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 3pcc n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3pcc s ILE 135 N -2.49 3.74 0.16 -0.61 1.01 -0.78 -4.99 121.20 117.24 3pcc s ILE 135 Ca 0.00 -1.26 -0.10 0.00 0.00 0.00 0.00 60.65 59.28 3pcc s ILE 135 Cb 0.00 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 39.30 3pcc s ILE 135 CO 0.00 -0.26 1.54 0.78 0.00 0.00 0.00 174.94 177.01 3pcc h ASN 136 N 8.21 1.02 -3.87 3.58 2.35 -1.91 -3.34 115.58 121.62 3pcc h ASN 136 Ca -0.22 -0.40 -0.39 0.00 -0.55 0.00 0.00 56.30 54.74 3pcc h ASN 136 Cb 1.08 -0.28 -0.30 0.00 0.05 0.00 0.00 38.32 38.87 3pcc h ASN 136 CO 0.62 1.19 -0.78 -0.51 -1.65 0.00 0.00 177.43 176.31 3pcc s ILE 137 N -4.67 0.65 0.66 2.81 2.07 -1.26 -2.98 121.20 118.48 3pcc s ILE 137 Ca -0.11 -0.31 -0.17 0.00 -1.41 0.00 0.00 60.65 58.64 3pcc s ILE 137 Cb 0.12 -0.57 -0.00 0.00 0.13 0.00 0.00 42.46 42.14 3pcc s ILE 137 CO 0.87 0.20 1.27 -1.38 -1.91 0.00 0.00 174.94 173.99 3pcc s HIS 138 N 0.07 2.08 -0.17 3.50 -3.43 -1.26 -5.01 115.29 111.06 3pcc s HIS 138 Ca -0.01 1.51 -0.08 0.00 -0.80 0.00 0.00 55.06 55.68 3pcc s HIS 138 Cb -0.06 -3.64 -0.04 0.00 -1.43 0.00 0.00 32.58 27.40 3pcc s HIS 138 CO -0.00 -2.84 0.10 -0.51 -2.00 0.00 0.00 174.74 169.49 3pcc s LEU 139 N -4.51 4.04 -0.14 5.38 1.43 -0.89 -4.91 118.68 119.08 3pcc s LEU 139 Ca 0.81 0.20 -0.08 0.00 -1.03 0.00 0.00 54.13 54.03 3pcc s LEU 139 Cb -0.36 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 3pcc s LEU 139 CO 0.40 0.23 0.14 -1.00 0.23 0.00 0.00 176.35 176.35 3pcc s HIS 140 N 0.06 3.55 0.32 0.29 3.76 -1.26 -0.45 115.29 121.56 3pcc s HIS 140 Ca 0.07 0.48 -0.09 0.00 -0.15 0.00 0.00 55.06 55.37 3pcc s HIS 140 Cb -0.12 -1.99 0.01 0.00 1.11 0.00 0.00 32.58 31.60 3pcc s HIS 140 CO 0.00 0.63 0.55 -0.08 -0.85 0.00 0.00 174.74 175.00 3pcc s THR 141 N -0.70 0.00 0.05 1.30 -1.32 -0.54 -0.71 115.64 113.71 3pcc s THR 141 Ca 0.13 -1.39 0.04 0.00 -1.21 0.00 0.00 61.69 59.27 3pcc s THR 141 Cb -0.12 -2.54 -0.02 0.00 -1.51 0.00 0.00 72.50 68.31 3pcc s THR 141 CO 0.03 0.00 -0.13 -0.13 -2.21 0.00 0.00 174.62 172.18 3pcc s ARG 142 N -3.21 0.80 -0.19 7.08 0.52 -1.26 -1.26 118.95 121.43 3pcc s ARG 142 Ca 0.24 -0.82 -0.05 0.00 -0.52 0.00 0.00 55.73 54.57 3pcc s ARG 142 Cb -0.02 -0.77 -0.03 0.00 0.52 0.00 0.00 34.95 34.66 3pcc s ARG 142 CO 0.14 0.18 0.01 -1.17 0.02 0.00 0.00 175.30 174.48 3pcc s LEU 143 N -1.44 3.40 0.34 2.53 0.20 0.01 -4.79 118.68 118.93 3pcc s LEU 143 Ca -0.02 -0.12 0.09 0.00 0.69 0.00 0.00 54.13 54.78 3pcc s LEU 143 Cb -0.09 -1.86 -0.05 0.00 -0.43 0.00 0.00 46.19 43.76 3pcc s LEU 143 CO 0.02 0.11 -0.01 -0.31 -0.29 0.00 0.00 176.35 175.86 3pcc s TYR 144 N 0.75 2.53 -0.14 5.38 1.51 0.10 -1.76 117.35 125.73 3pcc s TYR 144 Ca 0.01 -0.43 -0.02 0.00 -1.01 0.00 0.00 57.07 55.61 3pcc s TYR 144 Cb -0.14 -1.45 -0.02 0.00 -0.11 0.00 0.00 41.96 40.24 3pcc s TYR 144 CO 0.02 0.50 -0.06 -0.06 -1.11 0.00 0.00 175.55 174.84 3pcc s PHE 145 N -2.52 2.97 0.55 2.71 0.08 -1.26 0.22 117.98 120.72 3pcc s PHE 145 Ca 0.34 -0.33 0.37 0.00 0.12 0.00 0.00 56.93 57.44 3pcc s PHE 145 Cb -0.00 -1.90 2.02 0.00 -0.57 0.00 0.00 43.02 42.57 3pcc s PHE 145 CO 0.19 -0.02 2.26 0.38 -0.10 0.00 0.00 175.22 177.93 3pcc h ASP 146 N 6.50 0.00 -0.43 1.36 2.03 -1.57 -2.40 116.42 121.90 3pcc h ASP 146 Ca -0.32 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 55.86 3pcc h ASP 146 Cb 1.19 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.62 3pcc h ASP 146 CO 0.60 0.02 0.15 -0.90 -1.03 0.00 0.00 179.24 178.08 3pcc n ASP 147 N -3.36 3.66 -2.30 4.15 5.68 -1.26 -3.93 116.55 119.19 3pcc n ASP 147 Ca -0.02 -2.70 0.01 0.00 -0.50 0.00 0.00 54.79 51.58 3pcc n ASP 147 Cb 0.12 -0.64 0.04 0.00 -1.14 0.00 0.00 41.12 39.50 3pcc n ASP 147 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3pcc n GLU 148 N 0.05 1.14 -0.31 0.11 -0.58 -0.90 -4.92 120.64 115.23 3pcc n GLU 148 Ca 0.24 -2.97 0.16 0.00 -0.42 0.00 0.00 57.16 54.16 3pcc n GLU 148 Cb 0.96 -1.04 0.34 0.00 -0.57 0.00 0.00 31.44 31.12 3pcc n GLU 148 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3pcc h ALA 149 N 1.99 1.46 0.16 0.62 0.00 -1.76 0.18 119.26 121.91 3pcc h ALA 149 Ca -0.16 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3pcc h ALA 149 Cb 1.50 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.54 3pcc h ALA 149 CO 0.16 -0.47 -0.08 0.37 0.00 0.00 0.00 179.25 179.24 3pcc h GLN 150 N 0.27 -0.20 -0.34 0.00 4.15 -1.94 -0.69 115.11 116.35 3pcc h GLN 150 Ca 0.60 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 60.01 3pcc h GLN 150 Cb 1.23 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.95 3pcc h GLN 150 CO -0.62 -0.12 0.13 0.00 -1.93 0.00 0.00 178.83 176.29 3pcc h ALA 151 N 0.62 0.44 -0.74 3.38 0.00 -1.62 -2.91 119.26 118.44 3pcc h ALA 151 Ca -0.02 -0.13 0.14 0.00 0.00 0.00 0.00 54.91 54.89 3pcc h ALA 151 Cb 0.17 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 17.74 3pcc h ALA 151 CO 0.04 0.04 0.30 -0.91 0.00 0.00 0.00 179.25 178.71 3pcc h ASN 152 N 0.40 0.28 0.41 0.00 2.35 -0.53 -0.18 115.58 118.31 3pcc h ASN 152 Ca 0.11 0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.95 3pcc h ASN 152 Cb 0.19 0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.63 3pcc h ASN 152 CO -0.01 0.11 -0.10 0.00 -1.65 0.00 0.00 177.43 175.79 3pcc h ALA 153 N 1.53 1.22 -0.01 -0.83 0.00 -0.92 -2.57 119.26 117.69 3pcc h ALA 153 Ca 0.40 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3pcc h ALA 153 Cb 0.59 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3pcc h ALA 153 CO -0.39 0.12 -0.65 1.63 0.00 0.00 0.00 179.25 179.96 3pcc n LYS 154 N -3.52 0.50 -1.67 0.00 4.76 -0.17 -4.93 118.16 113.13 3pcc n LYS 154 Ca -0.02 -0.39 -0.43 0.00 -2.87 0.00 0.00 58.31 54.61 3pcc n LYS 154 Cb 0.23 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 31.90 3pcc n LYS 154 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3pcc h PRO 156 N 9.90 0.00 0.00 0.00 0.13 -1.91 0.14 132.00 140.25 3pcc h PRO 156 Ca -0.49 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 3pcc h PRO 156 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 3pcc h PRO 156 CO 0.94 0.07 -0.14 0.28 -0.23 0.00 0.00 178.00 178.91 3pcc h VAL 157 N 0.00 1.55 -0.82 1.56 2.07 -1.94 -3.22 116.25 115.45 3pcc h VAL 157 Ca -0.00 -2.22 0.08 0.00 0.82 0.00 0.00 66.70 65.38 3pcc h VAL 157 Cb 0.22 2.99 -0.06 0.00 -1.52 0.00 0.00 31.29 32.92 3pcc h VAL 157 CO 0.01 0.53 0.54 0.25 0.02 0.00 0.00 177.57 178.91 3pcc h LEU 158 N -1.00 0.75 -1.20 2.57 5.85 -1.86 -0.05 115.31 120.37 3pcc h LEU 158 Ca -0.04 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3pcc h LEU 158 Cb 0.96 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.84 3pcc h LEU 158 CO -0.02 0.46 0.00 0.78 -0.34 0.00 0.00 178.44 179.32 3pcc h ASN 159 N 0.83 0.00 1.57 1.25 2.35 -1.07 -2.28 115.58 118.24 3pcc h ASN 159 Ca 0.37 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.12 3pcc h ASN 159 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 3pcc h ASN 159 CO -0.14 0.00 0.00 -0.07 -1.65 0.00 0.00 177.43 175.57 3pcc h LEU 160 N 0.00 0.00 -9.17 1.61 3.38 -1.00 -3.43 115.31 106.70 3pcc h LEU 160 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 3pcc h LEU 160 Cb 0.31 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 3pcc h LEU 160 CO 0.00 0.00 0.91 -0.63 0.09 0.00 0.00 178.44 178.81 3pcc s ILE 161 N -3.29 4.21 0.05 1.22 1.01 -0.86 -4.94 121.20 118.60 3pcc s ILE 161 Ca 0.06 1.47 -0.14 0.00 0.00 0.00 0.00 60.65 62.04 3pcc s ILE 161 Cb 0.08 -3.95 -0.05 0.00 0.01 0.00 0.00 42.46 38.56 3pcc s ILE 161 CO 0.60 -0.12 1.23 -0.33 0.00 0.00 0.00 174.94 176.32 3pcc h GLU 162 N 8.29 -0.15 -5.30 2.79 5.08 -1.89 -3.40 114.58 120.00 3pcc h GLU 162 Ca -0.28 0.01 -0.63 0.00 -1.00 0.00 0.00 59.36 57.46 3pcc h GLU 162 Cb 1.11 0.03 -0.14 0.00 0.50 0.00 0.00 28.75 30.26 3pcc h GLU 162 CO 0.96 -0.10 -0.05 -0.65 -1.00 0.00 0.00 179.01 178.17 3pcc s GLN 163 N -4.09 3.93 0.55 2.33 -1.52 -1.26 -4.98 119.66 114.62 3pcc s GLN 163 Ca -0.06 0.15 0.36 0.00 -1.95 0.00 0.00 55.36 53.86 3pcc s GLN 163 Cb 0.04 -3.70 1.52 0.00 -0.22 0.00 0.00 33.01 30.65 3pcc s GLN 163 CO 0.25 -0.43 1.79 -1.35 -0.25 0.00 0.00 175.29 175.30 3pcc h PRO 164 N 8.17 0.00 -0.43 2.91 0.11 -1.98 0.09 132.00 140.87 3pcc h PRO 164 Ca -0.29 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.76 3pcc h PRO 164 Cb 1.14 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 3pcc h PRO 164 CO 0.72 0.00 0.00 1.96 -0.21 0.00 0.00 178.00 180.47 3pcc h GLN 165 N 0.00 0.70 -0.21 1.05 7.50 -1.96 -2.68 115.11 119.50 3pcc h GLN 165 Ca 0.53 -0.17 -0.09 0.00 0.50 0.00 0.00 58.65 59.41 3pcc h GLN 165 Cb 2.21 -0.09 -0.01 0.00 0.05 0.00 0.00 27.48 29.64 3pcc h GLN 165 CO -0.01 0.71 -0.28 0.00 -1.50 0.00 0.00 178.83 177.76 3pcc h ARG 166 N 0.66 0.41 -0.91 1.46 3.08 -1.38 -2.89 114.38 114.81 3pcc h ARG 166 Ca 0.13 -0.16 0.11 0.00 0.07 0.00 0.00 59.98 60.14 3pcc h ARG 166 Cb 0.41 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.36 3pcc h ARG 166 CO 0.02 0.66 0.59 0.00 -1.07 0.00 0.00 179.97 180.16 3pcc h ARG 167 N 0.36 0.84 -0.21 0.04 3.08 -1.46 -1.29 114.38 115.74 3pcc h ARG 167 Ca 0.05 -0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.11 3pcc h ARG 167 Cb 0.68 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 3pcc h ARG 167 CO 0.05 0.56 0.15 0.93 -1.07 0.00 0.00 179.97 180.59 3pcc h GLU 168 N 0.87 0.00 0.00 0.04 5.08 -1.55 -0.99 114.58 118.03 3pcc h GLU 168 Ca 0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 3pcc h GLU 168 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3pcc h GLU 168 CO -0.20 0.00 0.00 1.79 -1.00 0.00 0.00 179.01 179.60 3pcc h THR 169 N 0.00 0.00 -0.02 1.13 1.35 -1.37 -2.59 112.91 111.41 3pcc h THR 169 Ca 0.10 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.89 3pcc h THR 169 Cb 0.41 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 3pcc h THR 169 CO -0.00 0.00 -0.03 0.18 -0.25 0.00 0.00 175.52 175.42 3pcc n LEU 170 N -2.77 1.61 -4.62 3.87 4.77 -0.37 -4.85 117.00 114.64 3pcc n LEU 170 Ca -0.02 -0.53 -0.38 0.00 -0.03 0.00 0.00 56.01 55.05 3pcc n LEU 170 Cb 0.09 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.08 3pcc n LEU 170 CO 0.17 0.27 -0.08 -0.63 -1.33 0.00 0.00 177.39 175.80 3pcc s ILE 171 N -2.05 5.27 0.26 -0.08 1.01 -0.98 0.03 121.20 124.66 3pcc s ILE 171 Ca 0.35 0.35 -0.29 0.00 0.00 0.00 0.00 60.65 61.06 3pcc s ILE 171 Cb 0.21 -3.59 -0.09 0.00 0.01 0.00 0.00 42.46 38.99 3pcc s ILE 171 CO 0.35 0.25 0.96 0.00 0.00 0.00 0.00 174.94 176.51 3pcc s ALA 172 N 1.59 3.33 -0.32 9.38 0.00 0.60 -4.84 121.76 131.49 3pcc s ALA 172 Ca 0.11 0.65 -0.18 0.00 0.00 0.00 0.00 51.96 52.54 3pcc s ALA 172 Cb -0.15 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 3pcc s ALA 172 CO 0.09 0.15 0.50 0.15 0.00 0.00 0.00 175.76 176.64 3pcc s LYS 173 N -1.35 3.75 0.40 0.00 1.02 -0.62 -1.43 119.74 121.52 3pcc s LYS 173 Ca 0.43 -0.05 -0.26 0.00 0.02 0.00 0.00 55.97 56.11 3pcc s LYS 173 Cb -0.26 -3.76 -0.09 0.00 -0.52 0.00 0.00 37.83 33.20 3pcc s LYS 173 CO 0.32 -0.55 1.34 0.50 -0.92 0.00 0.00 175.35 176.04 3pcc s ARG 174 N 2.34 3.97 0.00 1.68 3.52 -1.26 -0.98 118.95 128.22 3pcc s ARG 174 Ca 0.19 2.25 0.00 0.00 -0.13 0.00 0.00 55.73 58.03 3pcc s ARG 174 Cb -0.16 -2.79 0.00 0.00 -1.56 0.00 0.00 34.95 30.44 3pcc s ARG 174 CO 0.12 -0.52 0.00 0.00 -0.81 0.00 0.00 175.30 174.09 3pcc s GLU 176 N 0.44 0.47 -0.23 0.00 2.12 -1.26 -1.40 118.70 118.84 3pcc s GLU 176 Ca 0.00 0.74 0.02 0.00 0.36 0.00 0.00 54.97 56.09 3pcc s GLU 176 Cb 0.00 0.11 0.05 0.00 0.26 0.00 0.00 34.13 34.55 3pcc s GLU 176 CO 0.00 -0.12 -0.10 0.08 -0.54 0.00 0.00 175.26 174.58 3pcc s VAL 177 N 0.91 1.86 -1.27 3.70 1.01 0.22 -4.68 120.40 122.15 3pcc s VAL 177 Ca -0.05 -1.31 -0.07 0.00 0.00 0.00 0.00 61.98 60.55 3pcc s VAL 177 Cb -0.06 -1.97 0.01 0.00 0.00 0.00 0.00 36.38 34.36 3pcc s VAL 177 CO -0.07 0.05 0.86 0.47 0.00 0.00 0.00 175.10 176.41 3pcc n ASP 178 N 4.57 -5.80 0.00 3.32 8.00 -1.26 -1.37 116.55 124.01 3pcc n ASP 178 Ca -0.14 -0.40 0.00 0.00 0.71 0.00 0.00 54.79 54.96 3pcc n ASP 178 Cb 0.44 -4.50 0.00 0.00 -0.02 0.00 0.00 41.12 37.05 3pcc n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3pcc n GLY 179 N -1.70 0.54 3.88 0.44 0.00 -1.26 -4.99 105.19 102.10 3pcc n GLY 179 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 3pcc n GLY 179 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3pcc s LYS 180 N -0.48 3.71 -0.02 1.61 2.47 -0.47 -5.04 119.74 121.52 3pcc s LYS 180 Ca 0.00 0.09 -0.30 0.00 -1.56 0.00 0.00 55.97 54.20 3pcc s LYS 180 Cb 0.00 -2.95 -0.06 0.00 -1.46 0.00 0.00 37.83 33.36 3pcc s LYS 180 CO 0.00 0.53 1.52 0.99 0.16 0.00 0.00 175.35 178.56 3pcc s THR 181 N -1.47 3.57 0.18 3.43 2.01 -1.26 -0.61 115.64 121.48 3pcc s THR 181 Ca 0.35 0.88 0.03 0.00 0.31 0.00 0.00 61.69 63.26 3pcc s THR 181 Cb -0.13 -3.57 -0.05 0.00 0.01 0.00 0.00 72.50 68.76 3pcc s THR 181 CO 0.20 -0.03 -0.04 0.00 -0.69 0.00 0.00 174.62 174.06 3pcc s ALA 182 N 3.05 1.50 -0.01 7.40 0.00 -0.49 -1.64 121.76 131.56 3pcc s ALA 182 Ca 0.68 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 51.05 3pcc s ALA 182 Cb -0.33 0.34 0.01 0.00 0.00 0.00 0.00 23.12 23.14 3pcc s ALA 182 CO 0.28 -0.22 -0.01 0.71 0.00 0.00 0.00 175.76 176.52 3pcc s TYR 183 N -3.47 0.21 -0.18 0.00 1.51 -0.50 -0.25 117.35 114.67 3pcc s TYR 183 Ca 0.22 0.00 -0.04 0.00 -1.01 0.00 0.00 57.07 56.24 3pcc s TYR 183 Cb 0.05 -0.24 -0.02 0.00 -0.11 0.00 0.00 41.96 41.63 3pcc s TYR 183 CO 0.04 -0.06 -0.02 0.50 -1.11 0.00 0.00 175.55 174.89 3pcc s ARG 184 N 0.50 3.62 -0.25 -0.62 3.52 -0.15 -2.01 118.95 123.57 3pcc s ARG 184 Ca -0.05 -0.53 -0.01 0.00 -0.13 0.00 0.00 55.73 55.01 3pcc s ARG 184 Cb -0.07 -2.98 0.08 0.00 -1.56 0.00 0.00 34.95 30.41 3pcc s ARG 184 CO -0.01 0.12 0.04 0.12 -0.81 0.00 0.00 175.30 174.76 3pcc s PHE 185 N 0.70 1.61 -0.09 5.12 5.36 -0.44 -1.59 117.98 128.65 3pcc s PHE 185 Ca -0.01 -1.41 -0.09 0.00 -0.96 0.00 0.00 56.93 54.46 3pcc s PHE 185 Cb -0.14 -1.43 -0.04 0.00 -0.34 0.00 0.00 43.02 41.06 3pcc s PHE 185 CO 0.02 -0.75 0.21 -0.51 -1.46 0.00 0.00 175.22 172.73 3pcc s ASP 186 N 1.66 6.50 -0.14 6.13 1.01 -1.26 -3.98 116.67 126.58 3pcc s ASP 186 Ca 0.02 0.60 -0.02 0.00 0.71 0.00 0.00 52.55 53.86 3pcc s ASP 186 Cb -0.18 -2.12 -0.02 0.00 1.01 0.00 0.00 42.92 41.61 3pcc s ASP 186 CO -0.14 0.38 -0.08 -0.63 0.21 0.00 0.00 175.17 174.91 3pcc s ILE 187 N -1.01 3.50 -0.31 0.77 1.01 -0.58 -4.98 121.20 119.61 3pcc s ILE 187 Ca 0.17 -0.50 -0.01 0.00 0.00 0.00 0.00 60.65 60.32 3pcc s ILE 187 Cb -0.13 -2.51 0.06 0.00 0.01 0.00 0.00 42.46 39.89 3pcc s ILE 187 CO 0.06 0.51 0.00 -0.13 0.00 0.00 0.00 174.94 175.38 3pcc s ARG 188 N 0.37 2.29 0.19 2.79 0.52 -1.26 -0.78 118.95 123.08 3pcc s ARG 188 Ca -0.07 -1.37 -0.09 0.00 -0.52 0.00 0.00 55.73 53.67 3pcc s ARG 188 Cb -0.15 -3.17 0.11 0.00 0.52 0.00 0.00 34.95 32.26 3pcc s ARG 188 CO 0.04 -0.68 1.72 0.82 0.02 0.00 0.00 175.30 177.23 3pcc h ILE 189 N 6.52 1.26 -3.37 1.52 2.04 -1.40 0.26 117.51 124.34 3pcc h ILE 189 Ca -0.19 -0.90 -0.15 0.00 1.00 0.00 0.00 64.86 64.62 3pcc h ILE 189 Cb 1.05 0.52 -0.22 0.00 -0.74 0.00 0.00 36.82 37.44 3pcc h ILE 189 CO 0.54 0.35 -0.45 -1.58 0.00 0.00 0.00 178.15 177.00 3pcc s GLN 190 N -5.39 0.46 1.23 2.37 0.74 -1.26 -4.70 119.66 113.10 3pcc s GLN 190 Ca -0.12 -0.21 0.00 0.00 0.05 0.00 0.00 55.36 55.08 3pcc s GLN 190 Cb 0.14 0.20 0.00 0.00 1.10 0.00 0.00 33.01 34.45 3pcc s GLN 190 CO 0.83 -0.11 0.00 0.41 -0.55 0.00 0.00 175.29 175.88 3pcc n GLY 191 N 1.77 0.08 3.60 2.59 0.00 -1.26 -4.17 105.19 107.80 3pcc n GLY 191 Ca -0.20 -1.51 -0.50 0.00 0.00 0.00 0.00 46.02 43.81 3pcc n GLY 191 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3pcc n GLU 192 N 1.13 1.59 -2.38 1.61 2.13 -1.26 -0.78 120.64 122.68 3pcc n GLU 192 Ca 0.00 0.53 -0.10 0.00 0.66 0.00 0.00 57.16 58.25 3pcc n GLU 192 Cb 0.00 -2.53 0.00 0.00 0.27 0.00 0.00 31.44 29.18 3pcc n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3pcc n GLY 193 N 5.24 0.02 3.68 8.31 0.00 -1.26 -4.94 105.19 116.24 3pcc n GLY 193 Ca 0.31 -0.42 -0.45 0.00 0.00 0.00 0.00 46.02 45.46 3pcc n GLY 193 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3pcc n GLU 194 N -2.11 2.21 -2.11 1.61 2.13 0.04 -4.60 120.64 117.81 3pcc n GLU 194 Ca -0.09 0.80 -0.39 0.00 0.66 0.00 0.00 57.16 58.13 3pcc n GLU 194 Cb 0.58 -2.56 -0.01 0.00 0.27 0.00 0.00 31.44 29.72 3pcc n GLU 194 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3pcc s THR 195 N 0.78 2.75 0.18 6.31 2.01 0.08 -4.97 115.64 122.78 3pcc s THR 195 Ca 0.77 0.67 -0.30 0.00 0.31 0.00 0.00 61.69 63.13 3pcc s THR 195 Cb -0.65 -3.39 -0.08 0.00 0.01 0.00 0.00 72.50 68.38 3pcc s THR 195 CO 0.39 0.09 1.26 -0.69 -0.69 0.00 0.00 174.62 174.99 3pcc s VAL 196 N -1.28 3.40 -0.03 3.82 1.01 -1.26 -4.97 120.40 121.09 3pcc s VAL 196 Ca 0.56 1.14 0.05 0.00 0.00 0.00 0.00 61.98 63.74 3pcc s VAL 196 Cb -0.36 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 3pcc s VAL 196 CO 0.47 0.17 -0.18 -0.36 0.00 0.00 0.00 175.10 175.19 3pcc s PHE 197 N 0.16 1.74 0.35 5.22 0.08 -1.26 -4.70 117.98 119.57 3pcc s PHE 197 Ca 0.56 -0.42 0.07 0.00 0.12 0.00 0.00 56.93 57.26 3pcc s PHE 197 Cb -0.35 -1.15 -0.02 0.00 -0.57 0.00 0.00 43.02 40.94 3pcc s PHE 197 CO 0.37 -0.10 0.34 -0.06 -0.10 0.00 0.00 175.22 175.66 3pcc s PHE 198 N -0.21 2.90 -0.05 0.36 0.08 0.11 -4.99 117.98 116.18 3pcc s PHE 198 Ca 0.02 -0.32 0.02 0.00 0.12 0.00 0.00 56.93 56.77 3pcc s PHE 198 Cb -0.10 -1.90 0.01 0.00 -0.57 0.00 0.00 43.02 40.47 3pcc s PHE 198 CO 0.01 0.09 -0.10 0.34 -0.10 0.00 0.00 175.22 175.47 3pcc s ASP 199 N -4.05 1.40 0.00 1.36 2.15 -1.26 -4.36 116.67 111.92 3pcc s ASP 199 Ca 0.43 -0.22 0.00 0.00 0.43 0.00 0.00 52.55 53.19 3pcc s ASP 199 Cb -0.06 -0.56 0.00 0.00 -0.30 0.00 0.00 42.92 42.00 3pcc s ASP 199 CO 0.28 0.03 0.00 2.22 -0.17 0.00 0.00 175.17 177.52