#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 4.65 -0.04 4.25 -1.09 -1.26 -5.06 121.20 122.65 3pcc s ILE 2 Ca 0.00 2.06 0.04 0.00 -2.23 0.00 0.00 60.65 60.52 3pcc s ILE 2 Cb 0.00 -4.32 -0.00 0.00 -1.58 0.00 0.00 42.46 36.56 3pcc s ILE 2 CO 0.00 0.25 -0.14 -1.61 -1.23 0.00 0.00 174.94 172.21 3pcc s GLU 3 N 0.44 1.50 0.47 2.79 0.41 -1.26 -5.14 118.70 117.91 3pcc s GLU 3 Ca 0.49 -0.50 -0.00 0.00 -0.41 0.00 0.00 54.97 54.55 3pcc s GLU 3 Cb -0.22 -1.33 0.09 0.00 -1.78 0.00 0.00 34.13 30.89 3pcc s GLU 3 CO 0.29 0.19 0.65 1.28 -0.49 0.00 0.00 175.26 177.17 3pcc n LEU 4 N 3.23 0.00 -4.77 1.80 4.32 -1.26 -5.05 117.00 115.27 3pcc n LEU 4 Ca -0.18 -1.35 -0.40 0.00 -0.02 0.00 0.00 56.01 54.06 3pcc n LEU 4 Cb 0.53 -0.42 -0.02 0.00 -1.62 0.00 0.00 43.42 41.89 3pcc n LEU 4 CO 0.25 -0.82 0.93 -0.76 -1.22 0.00 0.00 177.39 175.77 3pcc s LEU 5 N 0.00 4.39 0.38 2.23 1.43 -1.26 -4.98 118.68 120.87 3pcc s LEU 5 Ca 0.43 2.57 -0.25 0.00 -1.03 0.00 0.00 54.13 55.85 3pcc s LEU 5 Cb -0.02 -3.73 -0.09 0.00 0.03 0.00 0.00 46.19 42.37 3pcc s LEU 5 CO 0.28 -0.53 1.04 -2.84 0.23 0.00 0.00 176.35 174.53 3pcc s PRO 6 N -1.87 4.25 0.48 1.29 0.02 -1.26 -5.02 135.00 132.89 3pcc s PRO 6 Ca 0.50 1.50 -0.22 0.00 0.02 0.00 0.00 61.00 62.80 3pcc s PRO 6 Cb -0.37 -2.61 -0.07 0.00 0.02 0.00 0.00 34.50 31.47 3pcc s PRO 6 CO 0.49 -0.07 1.18 -2.00 -0.33 0.00 0.00 177.00 176.27 3pcc s GLU 7 N -2.39 3.65 0.16 5.54 2.12 -1.26 -4.95 118.70 121.58 3pcc s GLU 7 Ca 0.56 1.80 -0.32 0.00 0.36 0.00 0.00 54.97 57.37 3pcc s GLU 7 Cb -0.22 -2.35 -0.10 0.00 0.26 0.00 0.00 34.13 31.72 3pcc s GLU 7 CO 0.28 -0.65 1.62 0.99 -0.54 0.00 0.00 175.26 176.96 3pcc s THR 8 N -1.55 2.54 0.32 -1.70 2.01 -1.26 -4.94 115.64 111.07 3pcc s THR 8 Ca 0.65 0.34 -0.29 0.00 0.31 0.00 0.00 61.69 62.71 3pcc s THR 8 Cb -0.29 -3.22 -0.10 0.00 0.01 0.00 0.00 72.50 68.89 3pcc s THR 8 CO 0.35 0.02 1.35 -2.84 -0.69 0.00 0.00 174.62 172.82 3pcc s PRO 9 N 1.37 4.31 0.64 4.92 0.02 -1.26 -5.03 135.00 139.97 3pcc s PRO 9 Ca 0.72 2.28 -0.12 0.00 0.02 0.00 0.00 61.00 63.90 3pcc s PRO 9 Cb -0.45 -3.06 -0.02 0.00 0.02 0.00 0.00 34.50 30.99 3pcc s PRO 9 CO 0.32 -0.27 1.04 0.45 -0.33 0.00 0.00 177.00 178.20 3pcc s SER 10 N -0.30 5.88 0.02 2.53 0.15 -1.26 -5.09 113.70 115.62 3pcc s SER 10 Ca 0.51 1.53 -0.06 0.00 0.70 0.00 0.00 55.95 58.63 3pcc s SER 10 Cb -0.41 -2.49 -0.00 0.00 -1.71 0.00 0.00 66.02 61.41 3pcc s SER 10 CO 0.53 -1.11 0.11 -1.10 1.20 0.00 0.00 173.24 172.87 3pcc s GLN 11 N -4.99 0.50 0.59 5.44 -1.52 -1.21 -4.89 119.66 113.58 3pcc s GLN 11 Ca 0.57 -0.53 -0.19 0.00 -1.95 0.00 0.00 55.36 53.25 3pcc s GLN 11 Cb -0.12 0.20 -0.04 0.00 -0.22 0.00 0.00 33.01 32.82 3pcc s GLN 11 CO 0.52 -0.12 1.12 -2.37 -0.25 0.00 0.00 175.29 174.19 3pcc n THR 12 N 1.24 3.89 0.18 -0.19 5.66 -1.20 -4.82 114.28 119.03 3pcc n THR 12 Ca -0.22 -0.50 0.03 0.00 -3.05 0.00 0.00 64.05 60.31 3pcc n THR 12 Cb 0.56 -1.32 0.35 0.00 -1.55 0.00 0.00 70.33 68.37 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 0.77 1.35 0.00 1.79 0.00 -1.73 -3.50 119.26 117.94 3pcc h ALA 13 Ca -0.49 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.07 3pcc h ALA 13 Cb 1.34 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3pcc h ALA 13 CO 0.53 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.67 3pcc n GLY 14 N -0.41 -1.61 0.23 0.00 0.00 -1.26 -4.11 105.19 98.02 3pcc n GLY 14 Ca -0.02 -1.55 0.08 0.00 0.00 0.00 0.00 46.02 44.53 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 0.00 0.00 -0.61 1.61 0.13 -1.93 -3.11 132.00 128.09 3pcc h PRO 15 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3pcc h PRO 15 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3pcc h PRO 15 CO 0.00 0.23 0.00 0.66 -0.23 0.00 0.00 178.00 178.66 3pcc n TYR 16 N -3.84 1.08 -0.36 1.56 4.01 -1.26 -4.57 117.16 113.78 3pcc n TYR 16 Ca -0.02 -0.44 0.27 0.00 -0.16 0.00 0.00 57.90 57.55 3pcc n TYR 16 Cb 0.32 -0.16 0.54 0.00 -0.31 0.00 0.00 39.34 39.72 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 3.19 0.36 -0.97 -0.72 3.04 -1.69 -1.58 116.25 117.87 3pcc h VAL 17 Ca 0.00 -0.10 0.16 0.00 -1.01 0.00 0.00 66.70 65.75 3pcc h VAL 17 Cb 1.10 0.03 -0.09 0.00 -2.01 0.00 0.00 31.29 30.32 3pcc h VAL 17 CO 0.15 0.05 0.61 0.45 -1.01 0.00 0.00 177.57 177.82 3pcc h HIS 18 N 0.30 0.99 -0.71 3.17 3.86 -1.85 -1.32 115.15 119.60 3pcc h HIS 18 Ca 0.69 0.03 0.11 0.00 -1.16 0.00 0.00 60.37 60.04 3pcc h HIS 18 Cb 1.84 -0.31 -0.05 0.00 1.06 0.00 0.00 27.41 29.96 3pcc h HIS 18 CO -0.01 0.31 0.47 -0.84 0.86 0.00 0.00 177.93 178.72 3pcc h ILE 19 N 0.79 0.90 0.08 2.45 3.07 -1.50 0.66 117.51 123.96 3pcc h ILE 19 Ca 0.52 -0.19 -0.36 0.00 1.55 0.00 0.00 64.86 66.38 3pcc h ILE 19 Cb 0.76 0.31 -0.03 0.00 -0.27 0.00 0.00 36.82 37.59 3pcc h ILE 19 CO -0.29 0.10 -2.07 0.61 -1.05 0.00 0.00 178.15 175.45 3pcc n GLY 20 N -1.49 -0.59 0.24 0.16 0.00 -0.60 -4.57 105.19 98.34 3pcc n GLY 20 Ca 0.12 -0.23 0.03 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.35 1.60 -2.77 0.99 4.77 -0.61 -4.80 117.00 112.83 3pcc n LEU 21 Ca -0.33 -1.13 -0.09 0.00 -0.03 0.00 0.00 56.01 54.43 3pcc n LEU 21 Cb 1.04 -0.02 0.06 0.00 -2.33 0.00 0.00 43.42 42.17 3pcc n LEU 21 CO 0.40 0.35 0.22 0.00 -1.33 0.00 0.00 177.39 177.03 3pcc n ALA 22 N 0.28 -0.96 -0.07 -1.18 0.00 0.23 -4.97 120.51 113.83 3pcc n ALA 22 Ca 0.04 -1.55 -0.10 0.00 0.00 0.00 0.00 53.44 51.83 3pcc n ALA 22 Cb 0.17 -1.25 -0.04 0.00 0.00 0.00 0.00 19.45 18.33 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 3.63 -1.17 -0.34 0.00 4.07 -1.69 0.20 115.31 120.00 3pcc h LEU 23 Ca -0.12 0.18 0.05 0.00 0.08 0.00 0.00 57.88 58.08 3pcc h LEU 23 Cb 1.05 0.52 -0.08 0.00 1.08 0.00 0.00 40.66 43.22 3pcc h LEU 23 CO 0.27 -0.36 -0.51 -0.08 -1.08 0.00 0.00 178.44 176.68 3pcc h GLU 24 N -0.35 -0.40 -0.56 1.13 4.81 -1.87 0.46 114.58 117.80 3pcc h GLU 24 Ca 0.13 0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.50 3pcc h GLU 24 Cb 0.57 0.09 -0.11 0.00 0.63 0.00 0.00 28.75 29.93 3pcc h GLU 24 CO -0.47 -0.27 -0.15 0.00 -0.73 0.00 0.00 179.01 177.39 3pcc h ALA 25 N 0.06 0.35 0.00 2.92 0.00 -1.71 6.24 119.26 127.11 3pcc h ALA 25 Ca 0.09 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3pcc h ALA 25 Cb 0.61 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3pcc h ALA 25 CO -0.55 -0.44 0.00 0.00 0.00 0.00 0.00 179.25 178.26 3pcc n ALA 26 N -2.96 1.86 -3.49 0.00 0.00 -0.01 -4.82 120.51 111.10 3pcc n ALA 26 Ca 0.06 -0.07 -0.18 0.00 0.00 0.00 0.00 53.44 53.25 3pcc n ALA 26 Cb 0.30 -1.18 0.07 0.00 0.00 0.00 0.00 19.45 18.64 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 -0.32 -0.40 3.30 0.00 0.00 2.02 -4.99 105.19 104.79 3pcc n GLY 27 Ca 0.08 0.14 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 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 -4.29 2.58 0.31 1.61 0.01 -0.65 -5.01 114.94 109.50 3pcc s ASN 28 Ca 0.03 -0.71 -0.29 0.00 -0.71 0.00 0.00 52.86 51.18 3pcc s ASN 28 Cb -0.01 -0.14 -0.12 0.00 0.41 0.00 0.00 41.25 41.39 3pcc s ASN 28 CO 0.75 0.05 1.47 -0.81 -1.51 0.00 0.00 177.10 177.05 3pcc n PRO 29 N 0.97 2.44 -2.73 -0.60 -0.04 -1.26 -3.71 135.00 130.07 3pcc n PRO 29 Ca -0.19 0.86 -0.21 0.00 -0.04 0.00 0.00 63.50 63.93 3pcc n PRO 29 Cb 0.54 -2.56 0.05 0.00 -0.04 0.00 0.00 33.50 31.48 3pcc n PRO 29 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3pcc s THR 30 N -0.51 2.59 0.49 0.52 -4.23 -1.26 -4.87 115.64 108.38 3pcc s THR 30 Ca 0.60 -0.74 0.05 0.00 -1.18 0.00 0.00 61.69 60.43 3pcc s THR 30 Cb -0.54 -2.85 0.09 0.00 1.34 0.00 0.00 72.50 70.54 3pcc s THR 30 CO 0.55 0.00 0.68 0.54 -0.54 0.00 0.00 174.62 175.85 3pcc n ARG 31 N -2.33 0.48 0.15 3.99 1.74 -1.26 -5.02 116.66 114.41 3pcc n ARG 31 Ca 0.10 -2.35 -0.13 0.00 -0.77 0.00 0.00 57.85 54.69 3pcc n ARG 31 Cb 0.60 -0.30 -0.06 0.00 -1.02 0.00 0.00 32.46 31.68 3pcc n ARG 31 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3pcc h ASP 32 N -0.10 -0.64 -3.32 0.55 3.32 -2.07 -3.40 116.42 110.76 3pcc h ASP 32 Ca -0.23 0.06 -0.66 0.00 0.02 0.00 0.00 57.03 56.23 3pcc h ASP 32 Cb 0.97 0.23 -0.27 0.00 0.22 0.00 0.00 39.33 40.48 3pcc h ASP 32 CO 0.30 -0.34 -0.75 -1.10 -1.72 0.00 0.00 179.24 175.63 3pcc s GLN 33 N -6.08 3.39 0.06 3.56 -0.21 -1.26 -5.10 119.66 114.02 3pcc s GLN 33 Ca -0.16 -0.66 0.06 0.00 0.02 0.00 0.00 55.36 54.62 3pcc s GLN 33 Cb 0.07 -2.74 -0.03 0.00 1.00 0.00 0.00 33.01 31.31 3pcc s GLN 33 CO 0.65 0.10 -0.17 -1.21 -2.12 0.00 0.00 175.29 172.54 3pcc s GLU 34 N 0.65 1.03 -0.35 2.91 0.41 -1.26 -5.12 118.70 116.97 3pcc s GLU 34 Ca -0.06 -0.91 -0.20 0.00 -0.41 0.00 0.00 54.97 53.39 3pcc s GLU 34 Cb -0.15 -1.11 0.00 0.00 -1.78 0.00 0.00 34.13 31.09 3pcc s GLU 34 CO 0.02 0.27 0.61 0.42 -0.49 0.00 0.00 175.26 176.09 3pcc s ILE 35 N -0.99 4.92 0.00 -1.63 1.01 -1.26 -5.04 121.20 118.20 3pcc s ILE 35 Ca 0.03 0.54 0.00 0.00 0.00 0.00 0.00 60.65 61.22 3pcc s ILE 35 Cb -0.09 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.33 3pcc s ILE 35 CO 0.02 -0.29 0.00 1.87 0.00 0.00 0.00 174.94 176.54 3pcc n TRP 36 N 5.98 0.00 0.09 3.97 -0.00 -1.26 -4.60 117.44 121.61 3pcc n TRP 36 Ca -0.02 0.00 0.05 0.00 -0.00 0.00 0.00 57.50 57.53 3pcc n TRP 36 Cb 0.49 0.00 0.22 0.00 -0.00 0.00 0.00 31.31 32.02 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 3.38 -4.04 5.87 6.94 -0.58 -1.47 115.26 125.37 3pcc n ASN 37 Ca 0.00 -2.40 -0.34 0.00 -0.02 0.00 0.00 54.58 51.82 3pcc n ASN 37 Cb 0.00 -0.53 -0.12 0.00 -2.36 0.00 0.00 39.78 36.77 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 -1.87 2.25 0.17 -3.83 3.52 -1.26 -1.16 118.95 116.76 3pcc s ARG 38 Ca 0.31 -2.49 0.00 0.00 -0.13 0.00 0.00 55.73 53.42 3pcc s ARG 38 Cb 0.22 -3.53 0.04 0.00 -1.56 0.00 0.00 34.95 30.12 3pcc s ARG 38 CO 0.12 -1.13 1.41 -0.07 -0.81 0.00 0.00 175.30 174.82 3pcc h LEU 39 N 6.91 0.38 -8.68 -0.88 4.07 -1.25 -3.46 115.31 112.40 3pcc h LEU 39 Ca -0.05 -0.27 -0.70 0.00 0.08 0.00 0.00 57.88 56.94 3pcc h LEU 39 Cb 0.94 -0.11 -0.28 0.00 1.08 0.00 0.00 40.66 42.28 3pcc h LEU 39 CO 0.69 1.03 -0.85 0.00 -1.08 0.00 0.00 178.44 178.23 3pcc s ALA 40 N -3.44 2.31 0.08 1.53 0.00 -1.22 -0.68 121.76 120.34 3pcc s ALA 40 Ca -0.04 -1.07 -0.19 0.00 0.00 0.00 0.00 51.96 50.66 3pcc s ALA 40 Cb 0.10 -0.69 -0.07 0.00 0.00 0.00 0.00 23.12 22.47 3pcc s ALA 40 CO 0.83 0.52 0.57 0.15 0.00 0.00 0.00 175.76 177.83 3pcc s LYS 41 N -0.58 4.18 0.52 0.00 1.02 0.37 -4.88 119.74 120.37 3pcc s LYS 41 Ca 0.09 0.72 0.46 0.00 0.02 0.00 0.00 55.97 57.25 3pcc s LYS 41 Cb -0.11 -3.20 1.64 0.00 -0.52 0.00 0.00 37.83 35.64 3pcc s LYS 41 CO -0.00 0.62 1.50 -2.30 -0.92 0.00 0.00 175.35 174.25 3pcc n PRO 42 N 1.60 -0.00 -0.35 -1.68 -0.02 -1.26 0.13 135.00 133.41 3pcc n PRO 42 Ca -0.10 1.06 0.05 0.00 -2.02 0.00 0.00 63.50 62.50 3pcc n PRO 42 Cb 0.51 -2.40 0.20 0.00 -0.02 0.00 0.00 33.50 31.79 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 -3.95 2.88 -4.76 2.55 5.75 -1.26 -4.87 116.55 112.89 3pcc n ASP 43 Ca 0.42 -2.25 -0.40 0.00 -0.01 0.00 0.00 54.79 52.55 3pcc n ASP 43 Cb 1.88 -0.43 -0.05 0.00 -1.03 0.00 0.00 41.12 41.49 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 -1.71 3.39 0.67 2.12 0.00 0.34 -5.01 121.76 121.56 3pcc s ALA 44 Ca 0.29 0.37 -0.17 0.00 0.00 0.00 0.00 51.96 52.44 3pcc s ALA 44 Cb 0.18 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 20.29 3pcc s ALA 44 CO 0.14 0.16 1.24 -1.25 0.00 0.00 0.00 175.76 176.05 3pcc s PRO 45 N -0.58 2.47 0.00 0.00 0.04 -1.26 -4.89 135.00 130.78 3pcc s PRO 45 Ca 0.38 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.32 3pcc s PRO 45 Cb -0.22 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.46 3pcc s PRO 45 CO 0.26 -1.62 0.00 0.41 0.04 0.00 0.00 177.00 176.09 3pcc n GLY 46 N 0.63 1.46 3.54 0.56 0.00 -1.26 -4.63 105.19 105.49 3pcc n GLY 46 Ca 0.14 -2.15 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 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 -1.57 3.36 0.30 1.61 2.12 -1.26 -4.96 118.70 118.31 3pcc s GLU 47 Ca 0.00 -0.10 -0.29 0.00 0.36 0.00 0.00 54.97 54.94 3pcc s GLU 47 Cb 0.00 -4.07 -0.10 0.00 0.26 0.00 0.00 34.13 30.22 3pcc s GLU 47 CO 0.00 -1.69 1.31 -1.01 -0.54 0.00 0.00 175.26 173.33 3pcc s HIS 48 N 4.64 3.09 0.13 5.30 3.76 -1.26 -1.34 115.29 129.60 3pcc s HIS 48 Ca 0.35 1.36 -0.04 0.00 -0.15 0.00 0.00 55.06 56.58 3pcc s HIS 48 Cb -0.10 -3.67 -0.03 0.00 1.11 0.00 0.00 32.58 29.89 3pcc s HIS 48 CO 0.20 -1.90 0.13 0.96 -0.85 0.00 0.00 174.74 173.28 3pcc s ILE 49 N -0.86 0.11 -0.15 0.60 -4.36 -0.04 -4.73 121.20 111.77 3pcc s ILE 49 Ca 0.51 -1.67 0.01 0.00 -0.26 0.00 0.00 60.65 59.24 3pcc s ILE 49 Cb -0.39 -1.86 0.00 0.00 1.25 0.00 0.00 42.46 41.46 3pcc s ILE 49 CO 0.50 -0.49 -0.19 -0.22 0.24 0.00 0.00 174.94 174.78 3pcc s LEU 50 N -2.99 2.29 -0.03 0.37 2.96 -0.64 -2.00 118.68 118.64 3pcc s LEU 50 Ca 0.18 -0.54 0.02 0.00 -0.22 0.00 0.00 54.13 53.58 3pcc s LEU 50 Cb 0.06 -1.50 -0.03 0.00 0.50 0.00 0.00 46.19 45.21 3pcc s LEU 50 CO -0.01 0.08 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.28 3pcc s LEU 51 N 0.81 3.20 0.07 -0.68 1.43 -0.13 -0.91 118.68 122.47 3pcc s LEU 51 Ca -0.06 -0.08 -0.18 0.00 -1.03 0.00 0.00 54.13 52.79 3pcc s LEU 51 Cb -0.15 -1.77 0.04 0.00 0.03 0.00 0.00 46.19 44.33 3pcc s LEU 51 CO -0.01 0.32 0.41 -1.48 0.23 0.00 0.00 176.35 175.82 3pcc s LEU 52 N -1.15 0.38 -0.07 1.79 -0.00 -0.56 -1.23 118.68 117.83 3pcc s LEU 52 Ca 0.15 -0.11 -0.32 0.00 -0.00 0.00 0.00 54.13 53.85 3pcc s LEU 52 Cb -0.11 1.80 0.14 0.00 -0.00 0.00 0.00 46.19 48.01 3pcc s LEU 52 CO 0.05 -0.74 1.39 -0.83 -0.00 0.00 0.00 176.35 176.22 3pcc s GLY 53 N -2.30 -0.47 0.28 -3.48 0.00 -1.10 0.39 107.32 100.65 3pcc s GLY 53 Ca -0.02 0.85 0.09 0.00 0.00 0.00 0.00 44.72 45.64 3pcc s GLY 53 CO -0.06 0.35 -0.13 1.20 0.00 0.00 0.00 173.10 174.46 3pcc s GLN 54 N -2.15 1.63 -0.11 2.90 -0.21 -1.25 -1.55 119.66 118.91 3pcc s GLN 54 Ca 0.15 -1.79 0.03 0.00 0.02 0.00 0.00 55.36 53.77 3pcc s GLN 54 Cb 0.07 -1.49 0.01 0.00 1.00 0.00 0.00 33.01 32.59 3pcc s GLN 54 CO -0.06 0.18 -0.21 0.08 -2.12 0.00 0.00 175.29 173.17 3pcc s VAL 55 N -2.74 1.90 0.01 1.09 1.01 -1.26 -1.38 120.40 119.03 3pcc s VAL 55 Ca 0.29 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.42 3pcc s VAL 55 Cb -0.00 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 3pcc s VAL 55 CO 0.13 0.52 -0.11 -0.31 0.00 0.00 0.00 175.10 175.34 3pcc s TYR 56 N 0.65 2.77 0.77 5.22 2.02 -0.01 -0.21 117.35 128.56 3pcc s TYR 56 Ca -0.12 -0.11 -0.03 0.00 -0.37 0.00 0.00 57.07 56.43 3pcc s TYR 56 Cb -0.16 -1.56 0.15 0.00 -0.40 0.00 0.00 41.96 39.98 3pcc s TYR 56 CO 0.03 0.33 1.06 0.16 -1.57 0.00 0.00 175.55 175.56 3pcc s ASP 57 N -1.40 4.06 0.62 2.29 1.47 0.38 -1.10 116.67 122.98 3pcc s ASP 57 Ca 0.16 -0.34 0.36 0.00 1.18 0.00 0.00 52.55 53.91 3pcc s ASP 57 Cb -0.11 0.07 2.08 0.00 -0.34 0.00 0.00 42.92 44.62 3pcc s ASP 57 CO 0.07 -2.07 2.31 1.23 0.68 0.00 0.00 175.17 177.38 3pcc h GLY 58 N -0.75 0.00 0.15 2.12 0.00 -1.88 -0.93 103.07 101.79 3pcc h GLY 58 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3pcc h GLY 58 CO 0.38 0.00 -0.18 0.70 0.00 0.00 0.00 176.54 177.44 3pcc n ASN 59 N -3.52 1.06 0.00 0.19 3.02 -1.26 -4.76 115.26 109.99 3pcc n ASN 59 Ca -0.03 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.52 3pcc n ASN 59 Cb 0.08 0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 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 1.29 0.48 3.90 7.41 0.00 -0.35 -5.06 105.19 112.86 3pcc n GLY 60 Ca 0.14 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 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 0.35 1.61 3.76 -1.26 -4.80 115.29 116.50 3pcc s HIS 61 Ca 0.00 0.48 -0.28 0.00 -0.15 0.00 0.00 55.06 55.11 3pcc s HIS 61 Cb 0.00 -1.92 -0.10 0.00 1.11 0.00 0.00 32.58 31.66 3pcc s HIS 61 CO 0.00 0.59 1.36 -0.51 -0.85 0.00 0.00 174.74 175.32 3pcc s LEU 62 N -2.05 4.37 -0.45 0.89 1.43 -1.26 -0.47 118.68 121.14 3pcc s LEU 62 Ca 0.31 2.79 -0.15 0.00 -1.03 0.00 0.00 54.13 56.04 3pcc s LEU 62 Cb -0.13 -3.69 0.05 0.00 0.03 0.00 0.00 46.19 42.46 3pcc s LEU 62 CO 0.20 -0.67 0.37 -0.69 0.23 0.00 0.00 176.35 175.78 3pcc s VAL 63 N -1.15 5.24 -2.43 -1.59 1.01 0.70 -4.84 120.40 117.33 3pcc s VAL 63 Ca 0.51 -0.89 0.23 0.00 0.00 0.00 0.00 61.98 61.83 3pcc s VAL 63 Cb -0.41 -4.06 0.45 0.00 0.00 0.00 0.00 36.38 32.36 3pcc s VAL 63 CO 0.55 -0.48 1.54 0.54 0.00 0.00 0.00 175.10 177.25 3pcc n ARG 64 N 5.21 1.89 -0.10 2.72 1.74 -1.26 -4.13 116.66 122.74 3pcc n ARG 64 Ca -0.12 -1.33 0.09 0.00 -0.77 0.00 0.00 57.85 55.72 3pcc n ARG 64 Cb 0.45 -1.44 0.12 0.00 -1.02 0.00 0.00 32.46 30.57 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 0.57 2.15 -4.82 0.55 5.68 -1.26 -3.83 116.55 115.60 3pcc n ASP 65 Ca 0.17 -2.96 -0.33 0.00 -0.50 0.00 0.00 54.79 51.17 3pcc n ASP 65 Cb 0.41 -0.40 -0.01 0.00 -1.14 0.00 0.00 41.12 39.98 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 -2.67 6.11 -0.02 -1.12 1.04 -1.26 -4.61 113.70 111.17 3pcc s SER 66 Ca 0.28 1.74 0.01 0.00 0.48 0.00 0.00 55.95 58.46 3pcc s SER 66 Cb 0.25 -2.53 0.01 0.00 0.10 0.00 0.00 66.02 63.86 3pcc s SER 66 CO 0.03 -0.94 -0.02 0.12 0.98 0.00 0.00 173.24 173.40 3pcc s PHE 67 N -2.49 0.39 0.04 5.02 2.19 -0.03 -2.42 117.98 120.69 3pcc s PHE 67 Ca 0.62 -0.06 0.05 0.00 0.33 0.00 0.00 56.93 57.87 3pcc s PHE 67 Cb -0.14 -0.37 -0.02 0.00 -1.31 0.00 0.00 43.02 41.18 3pcc s PHE 67 CO 0.34 -0.09 -0.14 -0.51 1.83 0.00 0.00 175.22 176.65 3pcc s LEU 68 N 0.53 2.19 0.02 6.12 1.02 -0.65 -0.16 118.68 127.75 3pcc s LEU 68 Ca -0.06 -0.49 0.07 0.00 0.02 0.00 0.00 54.13 53.68 3pcc s LEU 68 Cb -0.09 -0.59 -0.02 0.00 0.02 0.00 0.00 46.19 45.51 3pcc s LEU 68 CO -0.01 0.01 -0.22 -1.61 0.02 0.00 0.00 176.35 174.55 3pcc s GLU 69 N -1.24 1.59 0.05 1.70 2.02 -0.80 -1.62 118.70 120.40 3pcc s GLU 69 Ca 0.01 -0.90 0.05 0.00 0.02 0.00 0.00 54.97 54.15 3pcc s GLU 69 Cb -0.08 -1.65 -0.02 0.00 0.10 0.00 0.00 34.13 32.47 3pcc s GLU 69 CO 0.01 0.43 -0.14 0.14 0.02 0.00 0.00 175.26 175.73 3pcc s VAL 70 N -0.68 1.11 -0.03 2.63 -7.23 -0.16 -2.07 120.40 113.96 3pcc s VAL 70 Ca 0.08 -1.10 -0.01 0.00 -1.81 0.00 0.00 61.98 59.15 3pcc s VAL 70 Cb -0.09 -1.03 0.03 0.00 0.56 0.00 0.00 36.38 35.85 3pcc s VAL 70 CO 0.01 -0.07 0.04 0.86 -0.31 0.00 0.00 175.10 175.62 3pcc s TRP 71 N -0.99 0.07 0.01 2.82 -0.11 -0.75 -1.58 118.94 118.40 3pcc s TRP 71 Ca 0.00 0.16 -0.21 0.00 1.22 0.00 0.00 56.10 57.27 3pcc s TRP 71 Cb -0.09 -0.34 0.04 0.00 -1.50 0.00 0.00 33.47 31.59 3pcc s TRP 71 CO 0.02 -0.13 0.48 1.14 -4.62 0.00 0.00 176.95 173.84 3pcc s GLN 72 N 1.44 0.92 0.73 5.86 -2.07 0.01 -1.08 119.66 125.47 3pcc s GLN 72 Ca -0.04 -0.14 -0.13 0.00 -1.82 0.00 0.00 55.36 53.23 3pcc s GLN 72 Cb -0.13 0.42 0.04 0.00 -1.09 0.00 0.00 33.01 32.25 3pcc s GLN 72 CO -0.03 -0.30 1.11 0.00 -1.32 0.00 0.00 175.29 174.75 3pcc s ALA 73 N -1.89 2.29 0.94 2.60 0.00 -1.26 -4.49 121.76 119.95 3pcc s ALA 73 Ca -0.09 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.30 3pcc s ALA 73 Cb -0.02 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.79 3pcc s ALA 73 CO 0.02 -1.63 0.00 -0.40 0.00 0.00 0.00 175.76 173.76 3pcc n ASP 74 N -3.07 0.00 0.16 0.00 5.68 0.43 -4.29 116.55 115.47 3pcc n ASP 74 Ca 0.10 -0.31 0.04 0.00 -0.50 0.00 0.00 54.79 54.12 3pcc n ASP 74 Cb 0.52 0.00 0.44 0.00 -1.14 0.00 0.00 41.12 40.94 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 -1.91 1.59 -0.01 2.12 0.00 -1.82 0.13 119.26 119.35 3pcc h ALA 75 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3pcc h ALA 75 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3pcc h ALA 75 CO 0.00 0.30 -0.00 0.09 0.00 0.00 0.00 179.25 179.64 3pcc n ASN 76 N -4.29 1.05 -0.00 0.00 3.02 -1.26 -3.63 115.26 110.13 3pcc n ASN 76 Ca -0.01 -1.34 0.00 0.00 -0.03 0.00 0.00 54.58 53.19 3pcc n ASN 76 Cb 0.26 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 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 1.13 0.64 3.34 7.41 0.00 -0.95 -4.82 105.19 111.94 3pcc n GLY 77 Ca 0.20 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 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 -3.52 2.55 -0.21 1.61 2.02 -1.26 -4.71 118.70 115.19 3pcc s GLU 78 Ca 0.00 -0.83 -0.23 0.00 0.02 0.00 0.00 54.97 53.93 3pcc s GLU 78 Cb 0.00 -2.25 -0.02 0.00 0.10 0.00 0.00 34.13 31.97 3pcc s GLU 78 CO 0.00 0.46 0.75 0.71 0.02 0.00 0.00 175.26 177.20 3pcc s TYR 79 N -0.34 3.36 -0.72 1.61 2.02 -1.26 -0.43 117.35 121.59 3pcc s TYR 79 Ca 0.02 1.07 -0.16 0.00 -0.37 0.00 0.00 57.07 57.63 3pcc s TYR 79 Cb -0.12 -2.94 0.16 0.00 -0.40 0.00 0.00 41.96 38.66 3pcc s TYR 79 CO 0.02 -0.28 0.72 -0.65 -1.57 0.00 0.00 175.55 173.79 3pcc s GLN 80 N 2.34 3.33 0.31 -0.62 -1.52 -1.26 -4.89 119.66 117.35 3pcc s GLN 80 Ca 0.33 -1.96 0.22 0.00 -1.95 0.00 0.00 55.36 52.00 3pcc s GLN 80 Cb -0.16 -4.42 0.16 0.00 -0.22 0.00 0.00 33.01 28.37 3pcc s GLN 80 CO 0.10 -1.41 1.33 0.38 -0.25 0.00 0.00 175.29 175.44 3pcc h ASP 81 N 8.47 0.00 -2.13 5.90 2.03 -1.98 -3.16 116.42 125.55 3pcc h ASP 81 Ca -0.07 0.00 -0.59 0.00 -0.73 0.00 0.00 57.03 55.63 3pcc h ASP 81 Cb 1.06 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 39.45 3pcc h ASP 81 CO 0.94 0.07 1.03 0.00 -1.03 0.00 0.00 179.24 180.25 3pcc s ALA 82 N -3.24 2.89 -0.06 4.15 0.00 -1.26 -4.97 121.76 119.27 3pcc s ALA 82 Ca 0.03 -1.84 -0.30 0.00 0.00 0.00 0.00 51.96 49.85 3pcc s ALA 82 Cb 0.07 -4.21 -0.04 0.00 0.00 0.00 0.00 23.12 18.94 3pcc s ALA 82 CO 0.73 -3.22 1.43 -0.47 0.00 0.00 0.00 175.76 174.23 3pcc s TYR 83 N 4.85 2.62 -0.19 0.00 5.04 -1.26 -4.99 117.35 123.42 3pcc s TYR 83 Ca 0.35 0.70 -0.12 0.00 -2.44 0.00 0.00 57.07 55.56 3pcc s TYR 83 Cb -0.08 -3.68 0.06 0.00 0.35 0.00 0.00 41.96 38.61 3pcc s TYR 83 CO 0.05 -2.61 0.46 1.21 -1.34 0.00 0.00 175.55 173.33 3pcc s ASN 84 N 2.30 -0.57 0.49 4.32 3.84 -1.26 -5.02 114.94 119.03 3pcc s ASN 84 Ca 0.64 0.99 0.33 0.00 0.21 0.00 0.00 52.86 55.03 3pcc s ASN 84 Cb -0.29 0.90 1.59 0.00 -0.55 0.00 0.00 41.25 42.90 3pcc s ASN 84 CO 0.24 -0.19 2.00 -0.07 -2.79 0.00 0.00 177.10 176.28 3pcc h LEU 85 N 6.68 0.00 -0.16 3.21 3.38 -1.97 -0.53 115.31 125.92 3pcc h LEU 85 Ca -0.34 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.56 3pcc h LEU 85 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 3pcc h LEU 85 CO 0.26 0.00 -0.34 -0.33 0.09 0.00 0.00 178.44 178.12 3pcc h GLU 86 N 0.00 0.00 -6.82 1.13 5.08 -1.99 -3.46 114.58 108.52 3pcc h GLU 86 Ca 0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 3pcc h GLU 86 Cb 0.24 0.00 0.17 0.00 0.50 0.00 0.00 28.75 29.65 3pcc h GLU 86 CO 0.00 0.34 0.07 0.09 -1.00 0.00 0.00 179.01 178.51 3pcc n ASN 87 N -3.22 0.54 0.17 1.42 3.02 -0.21 -4.86 115.26 112.11 3pcc n ASN 87 Ca 0.02 0.78 0.11 0.00 -0.03 0.00 0.00 54.58 55.45 3pcc n ASN 87 Cb 0.64 -1.37 0.09 0.00 -0.61 0.00 0.00 39.78 38.53 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 0.34 0.78 -3.28 5.41 0.00 -1.89 -3.44 119.26 117.18 3pcc h ALA 88 Ca -0.48 -0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.14 3pcc h ALA 88 Cb 1.37 0.01 -0.29 0.00 0.00 0.00 0.00 17.79 18.87 3pcc h ALA 88 CO 0.50 0.09 -0.56 0.12 0.00 0.00 0.00 179.25 179.40 3pcc s PHE 89 N -3.23 -0.18 -0.06 0.00 5.36 -1.26 0.14 117.98 118.75 3pcc s PHE 89 Ca 0.04 0.48 0.04 0.00 -0.96 0.00 0.00 56.93 56.53 3pcc s PHE 89 Cb 0.07 -0.00 -0.00 0.00 -0.34 0.00 0.00 43.02 42.75 3pcc s PHE 89 CO 0.72 -0.13 -0.19 -0.80 -1.46 0.00 0.00 175.22 173.36 3pcc s ASN 90 N 0.66 2.42 0.51 6.13 0.01 0.14 -4.97 114.94 119.84 3pcc s ASN 90 Ca -0.05 -0.41 0.30 0.00 -0.71 0.00 0.00 52.86 52.00 3pcc s ASN 90 Cb -0.06 -0.84 1.09 0.00 0.41 0.00 0.00 41.25 41.85 3pcc s ASN 90 CO -0.03 0.15 1.89 0.28 -1.51 0.00 0.00 177.10 177.87 3pcc h SER 91 N 6.44 0.00 -3.39 -1.22 0.02 -1.77 -3.44 113.55 110.18 3pcc h SER 91 Ca -0.29 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 59.99 3pcc h SER 91 Cb 1.19 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.59 3pcc h SER 91 CO 0.47 0.03 -0.66 0.12 -1.14 0.00 0.00 176.83 175.66 3pcc s PHE 92 N -3.57 3.03 0.23 3.45 5.36 -1.26 -0.81 117.98 124.42 3pcc s PHE 92 Ca 0.02 0.04 -0.19 0.00 -0.96 0.00 0.00 56.93 55.84 3pcc s PHE 92 Cb 0.08 -1.63 0.03 0.00 -0.34 0.00 0.00 43.02 41.15 3pcc s PHE 92 CO 0.58 0.45 0.61 0.20 -1.46 0.00 0.00 175.22 175.60 3pcc s GLY 93 N -1.69 -0.07 0.02 13.12 0.00 -0.62 -4.84 107.32 113.24 3pcc s GLY 93 Ca 0.20 -0.26 0.01 0.00 0.00 0.00 0.00 44.72 44.68 3pcc s GLY 93 CO 0.11 -0.19 -0.05 0.50 0.00 0.00 0.00 173.10 173.48 3pcc s ARG 94 N -3.90 0.39 0.26 2.90 0.52 -0.54 -0.99 118.95 117.58 3pcc s ARG 94 Ca 0.11 -0.49 -0.10 0.00 -0.52 0.00 0.00 55.73 54.73 3pcc s ARG 94 Cb -0.03 -0.20 -0.01 0.00 0.52 0.00 0.00 34.95 35.23 3pcc s ARG 94 CO 0.02 0.04 0.44 -0.08 0.02 0.00 0.00 175.30 175.74 3pcc s THR 95 N -0.91 0.00 0.11 0.02 -1.32 -0.64 -1.53 115.64 111.38 3pcc s THR 95 Ca -0.07 -1.50 -0.17 0.00 -1.21 0.00 0.00 61.69 58.75 3pcc s THR 95 Cb -0.07 -2.31 0.04 0.00 -1.51 0.00 0.00 72.50 68.65 3pcc s THR 95 CO -0.00 0.00 0.41 0.00 -2.21 0.00 0.00 174.62 172.82 3pcc s ALA 96 N -3.88 -0.97 0.03 11.08 0.00 -1.26 -1.64 121.76 125.12 3pcc s ALA 96 Ca 0.25 0.03 -0.22 0.00 0.00 0.00 0.00 51.96 52.03 3pcc s ALA 96 Cb 0.00 0.64 -0.06 0.00 0.00 0.00 0.00 23.12 23.71 3pcc s ALA 96 CO 0.11 -0.62 0.65 0.95 0.00 0.00 0.00 175.76 176.85 3pcc s THR 97 N -3.59 4.81 0.18 0.00 -4.23 -1.02 -4.25 115.64 107.55 3pcc s THR 97 Ca 0.02 1.37 -0.33 0.00 -1.18 0.00 0.00 61.69 61.56 3pcc s THR 97 Cb 0.01 -3.99 -0.13 0.00 1.34 0.00 0.00 72.50 69.74 3pcc s THR 97 CO -0.10 0.43 1.64 0.35 -0.54 0.00 0.00 174.62 176.39 3pcc n THR 98 N 2.55 0.02 0.28 3.99 -2.24 -1.14 -4.57 114.28 113.18 3pcc n THR 98 Ca -0.06 -0.01 0.12 0.00 -2.27 0.00 0.00 64.05 61.84 3pcc n THR 98 Cb 0.51 -1.73 0.79 0.00 -2.10 0.00 0.00 70.33 67.80 3pcc n THR 98 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3pcc h PHE 99 N 6.24 0.00 0.00 4.78 0.04 -1.95 0.24 116.94 126.28 3pcc h PHE 99 Ca -0.44 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.33 3pcc h PHE 99 Cb 1.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.38 3pcc h PHE 99 CO 0.63 0.04 0.00 -0.40 -0.60 0.00 0.00 178.31 177.98 3pcc n ASP 100 N -3.99 0.00 0.22 2.17 5.75 -1.26 -4.66 116.55 114.79 3pcc n ASP 100 Ca -0.03 0.00 0.07 0.00 -0.01 0.00 0.00 54.79 54.82 3pcc n ASP 100 Cb 0.13 0.00 0.50 0.00 -1.03 0.00 0.00 41.12 40.72 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 1.36 -1.24 2.12 0.00 -1.97 -3.47 119.26 114.06 3pcc h ALA 101 Ca 0.00 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 3pcc h ALA 101 Cb 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.76 3pcc h ALA 101 CO 0.00 0.32 -0.16 0.41 0.00 0.00 0.00 179.25 179.82 3pcc n GLY 102 N -0.55 0.25 3.25 0.00 0.00 0.83 -4.90 105.19 104.07 3pcc n GLY 102 Ca -0.02 -0.58 -0.27 0.00 0.00 0.00 0.00 46.02 45.15 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 -4.58 1.55 0.19 1.61 2.12 -1.26 -4.31 118.70 114.01 3pcc s GLU 103 Ca 0.04 -0.89 0.07 0.00 0.36 0.00 0.00 54.97 54.55 3pcc s GLU 103 Cb -0.02 -1.61 -0.04 0.00 0.26 0.00 0.00 34.13 32.72 3pcc s GLU 103 CO 0.06 0.42 0.02 1.67 -0.54 0.00 0.00 175.26 176.89 3pcc s TRP 104 N -0.69 2.87 0.03 5.30 1.48 -0.59 -2.86 118.94 124.47 3pcc s TRP 104 Ca 0.08 -0.13 0.01 0.00 -1.06 0.00 0.00 56.10 55.00 3pcc s TRP 104 Cb -0.09 -1.37 -0.02 0.00 -1.16 0.00 0.00 33.47 30.83 3pcc s TRP 104 CO 0.01 0.53 -0.05 0.95 -4.06 0.00 0.00 176.95 174.33 3pcc s THR 105 N -1.83 0.30 0.00 0.66 -4.23 -1.26 -2.72 115.64 106.55 3pcc s THR 105 Ca 0.29 -0.94 0.00 0.00 -1.18 0.00 0.00 61.69 59.86 3pcc s THR 105 Cb -0.09 -0.40 -0.00 0.00 1.34 0.00 0.00 72.50 73.35 3pcc s THR 105 CO 0.20 -0.42 -0.00 -0.22 -0.54 0.00 0.00 174.62 173.63 3pcc s LEU 106 N -1.43 2.02 -0.31 4.79 2.96 -0.37 -4.85 118.68 121.49 3pcc s LEU 106 Ca -0.13 -0.04 -0.04 0.00 -0.22 0.00 0.00 54.13 53.70 3pcc s LEU 106 Cb -0.09 0.01 0.04 0.00 0.50 0.00 0.00 46.19 46.64 3pcc s LEU 106 CO -0.00 -0.02 0.05 -1.00 -1.32 0.00 0.00 176.35 174.05 3pcc s HIS 107 N -0.12 3.22 0.00 5.38 3.76 -0.31 -0.96 115.29 126.26 3pcc s HIS 107 Ca -0.01 -1.52 0.00 0.00 -0.15 0.00 0.00 55.06 53.37 3pcc s HIS 107 Cb -0.01 -2.19 0.00 0.00 1.11 0.00 0.00 32.58 31.49 3pcc s HIS 107 CO -0.00 -0.73 0.00 -2.37 -0.85 0.00 0.00 174.74 170.79 3pcc n THR 108 N 4.74 0.00 -4.21 1.30 5.66 -0.85 -0.78 114.28 120.15 3pcc n THR 108 Ca -0.13 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.73 3pcc n THR 108 Cb 0.45 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.13 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 -1.20 1.01 -0.12 1.08 -7.23 -1.26 -0.86 120.40 111.82 3pcc s VAL 109 Ca 0.00 -1.83 -0.29 0.00 -1.81 0.00 0.00 61.98 58.04 3pcc s VAL 109 Cb 0.00 -1.58 -0.03 0.00 0.56 0.00 0.00 36.38 35.32 3pcc s VAL 109 CO 0.00 -0.66 1.45 -0.75 -0.31 0.00 0.00 175.10 174.83 3pcc s LYS 110 N -3.26 4.20 0.51 4.82 2.20 -0.45 -4.89 119.74 122.87 3pcc s LYS 110 Ca 0.10 1.90 -0.22 0.00 -0.36 0.00 0.00 55.97 57.39 3pcc s LYS 110 Cb -0.00 -3.87 -0.06 0.00 -1.51 0.00 0.00 37.83 32.39 3pcc s LYS 110 CO -0.00 -0.78 1.31 -1.25 -0.36 0.00 0.00 175.35 174.27 3pcc s PRO 111 N 3.77 3.36 0.79 4.03 0.04 -1.26 -4.26 135.00 141.48 3pcc s PRO 111 Ca 0.64 2.13 -0.09 0.00 0.04 0.00 0.00 61.00 63.72 3pcc s PRO 111 Cb -0.27 -2.34 0.11 0.00 0.04 0.00 0.00 34.50 32.04 3pcc s PRO 111 CO 0.22 -0.98 1.12 0.20 0.04 0.00 0.00 177.00 177.60 3pcc s GLY 112 N -1.01 1.70 0.36 0.56 0.00 0.40 -4.71 107.32 104.63 3pcc s GLY 112 Ca 0.68 -1.04 -0.25 0.00 0.00 0.00 0.00 44.72 44.10 3pcc s GLY 112 CO 0.45 -0.51 1.05 0.14 0.00 0.00 0.00 173.10 174.23 3pcc s VAL 113 N -3.47 3.73 0.13 1.40 1.01 -1.26 -4.46 120.40 117.48 3pcc s VAL 113 Ca 0.65 1.43 0.05 0.00 0.00 0.00 0.00 61.98 64.10 3pcc s VAL 113 Cb -0.08 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 3pcc s VAL 113 CO 0.48 0.11 -0.11 0.68 0.00 0.00 0.00 175.10 176.25 3pcc s VAL 114 N -1.54 1.17 0.33 2.92 -7.23 -1.25 -4.50 120.40 110.30 3pcc s VAL 114 Ca 0.54 -1.83 0.04 0.00 -1.81 0.00 0.00 61.98 58.91 3pcc s VAL 114 Cb -0.24 -1.61 -0.02 0.00 0.56 0.00 0.00 36.38 35.08 3pcc s VAL 114 CO 0.30 -0.58 0.50 0.20 -0.31 0.00 0.00 175.10 175.21 3pcc s ASN 115 N -2.73 6.11 0.88 4.85 0.01 -1.26 -1.13 114.94 121.66 3pcc s ASN 115 Ca 0.11 0.12 -0.09 0.00 -0.71 0.00 0.00 52.86 52.30 3pcc s ASN 115 Cb -0.02 -1.65 0.17 0.00 0.41 0.00 0.00 41.25 40.17 3pcc s ASN 115 CO 0.01 -0.35 1.08 -0.46 -1.51 0.00 0.00 177.10 175.87 3pcc n ASN 116 N -1.70 0.58 -0.28 -1.22 0.23 -0.20 -4.88 115.26 107.79 3pcc n ASN 116 Ca -0.03 -1.69 0.07 0.00 -0.53 0.00 0.00 54.58 52.39 3pcc n ASN 116 Cb 0.57 -0.78 0.30 0.00 -2.08 0.00 0.00 39.78 37.79 3pcc n ASN 116 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3pcc h ALA 117 N -1.29 1.64 -0.23 -2.53 0.00 -1.99 -0.81 119.26 114.04 3pcc h ALA 117 Ca -0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3pcc h ALA 117 Cb 1.09 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3pcc h ALA 117 CO 0.30 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.73 3pcc n ALA 118 N -2.41 2.62 -0.99 0.00 0.00 -1.26 -4.90 120.51 113.57 3pcc n ALA 118 Ca 0.15 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.10 3pcc n ALA 118 Cb 0.31 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 0.67 0.76 3.69 0.00 0.00 -0.31 -5.03 105.19 104.97 3pcc n GLY 119 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.04 5.14 0.33 1.61 1.01 -1.26 -4.71 120.40 119.47 3pcc s VAL 120 Ca 0.00 0.97 -0.29 0.00 0.00 0.00 0.00 61.98 62.66 3pcc s VAL 120 Cb 0.00 -3.84 -0.12 0.00 0.00 0.00 0.00 36.38 32.43 3pcc s VAL 120 CO 0.00 0.24 1.46 -0.81 0.00 0.00 0.00 175.10 175.99 3pcc n PRO 121 N 4.27 2.47 -4.17 2.72 -0.04 -1.26 -1.03 135.00 137.96 3pcc n PRO 121 Ca -0.06 0.87 -0.33 0.00 -0.04 0.00 0.00 63.50 63.95 3pcc n PRO 121 Cb 0.51 -2.57 -0.08 0.00 -0.04 0.00 0.00 33.50 31.32 3pcc n PRO 121 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3pcc s MET 122 N -1.43 2.93 0.68 0.54 -1.94 -0.28 -4.42 119.30 115.37 3pcc s MET 122 Ca 0.58 -0.56 -0.14 0.00 -1.71 0.00 0.00 55.69 53.86 3pcc s MET 122 Cb -0.52 -2.77 0.01 0.00 2.01 0.00 0.00 34.83 33.56 3pcc s MET 122 CO 0.58 0.63 1.10 0.00 -0.01 0.00 0.00 175.02 177.32 3pcc s ALA 123 N -1.17 2.45 0.16 3.03 0.00 -1.26 -3.91 121.76 121.05 3pcc s ALA 123 Ca 0.22 0.48 -0.33 0.00 0.00 0.00 0.00 51.96 52.33 3pcc s ALA 123 Cb -0.12 -3.30 -0.16 0.00 0.00 0.00 0.00 23.12 19.54 3pcc s ALA 123 CO 0.13 -1.34 1.11 -2.30 0.00 0.00 0.00 175.76 173.36 3pcc n PRO 124 N -2.61 0.96 -3.44 0.00 -0.02 -1.26 -4.87 135.00 123.75 3pcc n PRO 124 Ca 0.10 0.34 -0.13 0.00 -2.02 0.00 0.00 63.50 61.79 3pcc n PRO 124 Cb 0.52 -1.80 -0.03 0.00 -0.02 0.00 0.00 33.50 32.17 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 -0.23 -0.56 -0.11 6.00 -3.43 -1.26 -4.43 115.29 111.27 3pcc s HIS 125 Ca 0.74 0.49 0.02 0.00 -0.80 0.00 0.00 55.06 55.51 3pcc s HIS 125 Cb -0.90 0.53 0.01 0.00 -1.43 0.00 0.00 32.58 30.79 3pcc s HIS 125 CO 0.53 -0.80 -0.19 0.42 -2.00 0.00 0.00 174.74 172.70 3pcc s ILE 126 N -3.25 1.73 -0.03 -5.38 1.01 -0.81 -4.59 121.20 109.88 3pcc s ILE 126 Ca -0.01 -0.79 -0.23 0.00 0.00 0.00 0.00 60.65 59.61 3pcc s ILE 126 Cb -0.01 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 3pcc s ILE 126 CO -0.08 0.49 0.70 0.20 0.00 0.00 0.00 174.94 176.24 3pcc s ASN 127 N 0.76 7.03 0.05 3.58 0.01 -0.25 0.13 114.94 126.25 3pcc s ASN 127 Ca -0.10 1.24 0.07 0.00 -0.71 0.00 0.00 52.86 53.35 3pcc s ASN 127 Cb -0.16 -2.42 -0.03 0.00 0.41 0.00 0.00 41.25 39.06 3pcc s ASN 127 CO 0.01 -0.06 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.72 3pcc s ILE 128 N 0.49 1.54 -0.09 0.60 1.01 0.52 -1.80 121.20 123.47 3pcc s ILE 128 Ca 0.37 -1.18 0.01 0.00 0.00 0.00 0.00 60.65 59.85 3pcc s ILE 128 Cb -0.18 -1.35 0.02 0.00 0.01 0.00 0.00 42.46 40.95 3pcc s ILE 128 CO 0.19 0.14 -0.11 -0.44 0.00 0.00 0.00 174.94 174.71 3pcc s SER 129 N -1.23 2.00 -0.15 3.58 0.01 -0.88 -0.62 113.70 116.41 3pcc s SER 129 Ca 0.06 -0.32 -0.02 0.00 1.31 0.00 0.00 55.95 56.98 3pcc s SER 129 Cb -0.09 -0.88 -0.02 0.00 0.21 0.00 0.00 66.02 65.25 3pcc s SER 129 CO 0.02 -0.01 -0.08 -0.22 0.41 0.00 0.00 173.24 173.36 3pcc s LEU 130 N 1.01 2.98 0.15 2.44 2.96 0.17 -1.91 118.68 126.48 3pcc s LEU 130 Ca -0.08 -0.24 0.11 0.00 -0.22 0.00 0.00 54.13 53.71 3pcc s LEU 130 Cb -0.15 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 3pcc s LEU 130 CO -0.01 0.15 -0.26 -0.36 -1.32 0.00 0.00 176.35 174.56 3pcc s PHE 131 N 0.44 2.28 0.00 5.38 0.40 0.78 -1.92 117.98 125.33 3pcc s PHE 131 Ca -0.06 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 55.89 3pcc s PHE 131 Cb -0.15 -1.20 0.00 0.00 0.51 0.00 0.00 43.02 42.18 3pcc s PHE 131 CO 0.04 0.38 0.00 0.00 0.70 0.00 0.00 175.22 176.34 3pcc n ALA 132 N 0.72 0.00 -1.78 5.36 0.00 -1.26 -0.85 120.51 122.71 3pcc n ALA 132 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.87 3pcc n ALA 132 Cb 0.54 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.98 3pcc n ALA 132 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3pcc s ARG 133 N -2.00 4.15 0.00 0.00 1.70 -1.25 0.27 118.95 121.81 3pcc s ARG 133 Ca 0.00 2.52 0.00 0.00 -0.47 0.00 0.00 55.73 57.78 3pcc s ARG 133 Cb 0.00 -2.99 0.00 0.00 -0.57 0.00 0.00 34.95 31.39 3pcc s ARG 133 CO 0.00 -0.48 0.00 0.41 -1.08 0.00 0.00 175.30 174.15 3pcc n GLY 134 N 0.56 2.24 3.43 3.88 0.00 -1.26 -4.96 105.19 109.08 3pcc n GLY 134 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.29 5.24 0.19 -0.61 1.01 0.14 -4.94 121.20 119.94 3pcc s ILE 135 Ca 0.00 -0.85 -0.09 0.00 0.00 0.00 0.00 60.65 59.71 3pcc s ILE 135 Cb 0.00 -4.03 0.10 0.00 0.01 0.00 0.00 42.46 38.54 3pcc s ILE 135 CO 0.00 -0.44 1.70 0.78 0.00 0.00 0.00 174.94 176.98 3pcc h ASN 136 N 8.69 1.03 -3.57 3.58 2.35 -1.92 -3.35 115.58 122.39 3pcc h ASN 136 Ca -0.28 -0.24 -0.30 0.00 -0.55 0.00 0.00 56.30 54.94 3pcc h ASN 136 Cb 1.12 -0.27 -0.33 0.00 0.05 0.00 0.00 38.32 38.89 3pcc h ASN 136 CO 0.80 1.00 -0.73 -0.51 -1.65 0.00 0.00 177.43 176.34 3pcc s ILE 137 N -5.30 0.05 0.49 2.81 2.07 -1.26 -3.25 121.20 116.80 3pcc s ILE 137 Ca -0.12 0.11 -0.22 0.00 -1.41 0.00 0.00 60.65 59.01 3pcc s ILE 137 Cb 0.14 -0.14 -0.08 0.00 0.13 0.00 0.00 42.46 42.50 3pcc s ILE 137 CO 0.84 0.09 1.01 0.00 -1.91 0.00 0.00 174.94 174.97 3pcc n HIS 138 N 3.89 1.10 -3.63 3.50 1.44 -1.26 -5.00 115.22 115.26 3pcc n HIS 138 Ca -0.24 0.50 -0.36 0.00 -2.01 0.00 0.00 57.72 55.61 3pcc n HIS 138 Cb 0.52 -2.21 -0.07 0.00 0.12 0.00 0.00 29.99 28.36 3pcc n HIS 138 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3pcc s LEU 139 N -1.11 4.26 -0.13 2.39 1.43 -0.81 -4.89 118.68 119.82 3pcc s LEU 139 Ca 0.67 0.45 -0.06 0.00 -1.03 0.00 0.00 54.13 54.16 3pcc s LEU 139 Cb -0.50 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.42 3pcc s LEU 139 CO 0.54 0.17 0.08 -1.00 0.23 0.00 0.00 176.35 176.37 3pcc s HIS 140 N 0.17 3.37 0.35 0.29 3.76 -1.26 0.45 115.29 122.42 3pcc s HIS 140 Ca 0.14 0.29 -0.10 0.00 -0.15 0.00 0.00 55.06 55.25 3pcc s HIS 140 Cb -0.12 -1.96 0.03 0.00 1.11 0.00 0.00 32.58 31.63 3pcc s HIS 140 CO 0.03 0.47 0.62 -0.08 -0.85 0.00 0.00 174.74 174.93 3pcc s THR 141 N -0.48 0.00 0.03 1.30 -1.32 0.20 -0.59 115.64 114.79 3pcc s THR 141 Ca 0.11 -1.29 0.03 0.00 -1.21 0.00 0.00 61.69 59.32 3pcc s THR 141 Cb -0.12 -2.68 -0.02 0.00 -1.51 0.00 0.00 72.50 68.18 3pcc s THR 141 CO 0.02 0.00 -0.09 -0.13 -2.21 0.00 0.00 174.62 172.21 3pcc s ARG 142 N -2.85 0.62 -0.21 7.08 0.52 -1.26 -0.35 118.95 122.49 3pcc s ARG 142 Ca 0.22 -0.64 -0.06 0.00 -0.52 0.00 0.00 55.73 54.74 3pcc s ARG 142 Cb -0.03 -0.52 -0.03 0.00 0.52 0.00 0.00 34.95 34.90 3pcc s ARG 142 CO 0.15 0.12 0.02 -1.17 0.02 0.00 0.00 175.30 174.44 3pcc s LEU 143 N -1.14 3.31 0.43 2.53 0.20 0.12 -4.82 118.68 119.32 3pcc s LEU 143 Ca -0.04 -0.20 0.08 0.00 0.69 0.00 0.00 54.13 54.66 3pcc s LEU 143 Cb -0.08 -1.85 -0.01 0.00 -0.43 0.00 0.00 46.19 43.82 3pcc s LEU 143 CO 0.01 0.04 0.43 -0.31 -0.29 0.00 0.00 176.35 176.22 3pcc s TYR 144 N 1.16 2.60 -0.06 5.38 1.51 -0.28 -1.91 117.35 125.75 3pcc s TYR 144 Ca 0.03 -0.51 0.05 0.00 -1.01 0.00 0.00 57.07 55.63 3pcc s TYR 144 Cb -0.14 -2.19 -0.02 0.00 -0.11 0.00 0.00 41.96 39.49 3pcc s TYR 144 CO 0.02 -0.24 -0.20 -0.06 -1.11 0.00 0.00 175.55 173.96 3pcc s PHE 145 N -2.48 2.57 0.28 2.71 0.08 -1.26 0.04 117.98 119.91 3pcc s PHE 145 Ca 0.49 -0.44 0.28 0.00 0.12 0.00 0.00 56.93 57.38 3pcc s PHE 145 Cb -0.04 -1.62 1.31 0.00 -0.57 0.00 0.00 43.02 42.09 3pcc s PHE 145 CO 0.29 -0.03 1.99 0.38 -0.10 0.00 0.00 175.22 177.75 3pcc h ASP 146 N 5.77 0.00 -0.26 1.36 2.03 -1.52 -2.29 116.42 121.50 3pcc h ASP 146 Ca -0.39 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.91 3pcc h ASP 146 Cb 1.16 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.66 3pcc h ASP 146 CO 0.49 0.13 0.00 -0.90 -1.03 0.00 0.00 179.24 177.94 3pcc n ASP 147 N -3.43 2.29 -2.08 4.15 5.68 -1.26 -3.93 116.55 117.96 3pcc n ASP 147 Ca -0.01 -2.20 -0.13 0.00 -0.50 0.00 0.00 54.79 51.95 3pcc n ASP 147 Cb 0.31 -0.40 0.05 0.00 -1.14 0.00 0.00 41.12 39.94 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 0.31 2.72 -0.28 0.11 -0.58 -0.86 -4.88 120.64 117.18 3pcc n GLU 148 Ca 0.11 -3.80 0.08 0.00 -0.42 0.00 0.00 57.16 53.13 3pcc n GLU 148 Cb 0.45 -1.92 0.23 0.00 -0.57 0.00 0.00 31.44 29.63 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 2.13 1.19 0.36 0.62 0.00 -1.76 0.11 119.26 121.91 3pcc h ALA 149 Ca 0.16 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 3pcc h ALA 149 Cb 1.43 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 3pcc h ALA 149 CO 0.49 -0.26 -0.50 1.96 0.00 0.00 0.00 179.25 180.94 3pcc h GLN 150 N 0.42 -0.86 -0.30 0.00 4.20 -1.95 0.41 115.11 117.03 3pcc h GLN 150 Ca 0.47 0.06 0.05 0.00 0.06 0.00 0.00 58.65 59.29 3pcc h GLN 150 Cb 0.79 0.20 -0.05 0.00 0.30 0.00 0.00 27.48 28.72 3pcc h GLN 150 CO -0.46 -0.57 -0.01 0.00 -0.67 0.00 0.00 178.83 177.11 3pcc h ALA 151 N -0.81 0.26 -1.00 3.87 0.00 -1.88 -2.48 119.26 117.21 3pcc h ALA 151 Ca -0.04 0.09 0.15 0.00 0.00 0.00 0.00 54.91 55.10 3pcc h ALA 151 Cb 0.81 0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.66 3pcc h ALA 151 CO -0.14 -0.42 0.63 -0.91 0.00 0.00 0.00 179.25 178.41 3pcc h ASN 152 N 0.08 0.87 0.48 0.00 2.35 -0.38 0.75 115.58 119.72 3pcc h ASN 152 Ca 0.14 0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.94 3pcc h ASN 152 Cb 0.19 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.46 3pcc h ASN 152 CO -0.25 0.41 -0.11 0.00 -1.65 0.00 0.00 177.43 175.83 3pcc h ALA 153 N 1.58 1.19 -0.02 -0.83 0.00 -0.44 -2.95 119.26 117.80 3pcc h ALA 153 Ca 0.53 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3pcc h ALA 153 Cb 0.65 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3pcc h ALA 153 CO -0.31 0.14 -0.47 1.63 0.00 0.00 0.00 179.25 180.24 3pcc n LYS 154 N -3.50 1.22 -1.79 0.00 4.76 0.19 -4.95 118.16 114.09 3pcc n LYS 154 Ca -0.01 -1.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.00 3pcc n LYS 154 Cb 0.25 -1.48 -0.03 0.00 -1.84 0.00 0.00 35.03 31.94 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 9.55 0.00 0.00 0.00 0.13 -1.91 -1.03 132.00 138.74 3pcc h PRO 156 Ca -0.46 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.59 3pcc h PRO 156 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 3pcc h PRO 156 CO 0.94 0.04 -0.51 0.28 -0.23 0.00 0.00 178.00 178.52 3pcc h VAL 157 N 0.00 1.03 -0.15 1.56 2.07 -1.94 -3.29 116.25 115.53 3pcc h VAL 157 Ca -0.00 -1.95 0.00 0.00 0.82 0.00 0.00 66.70 65.58 3pcc h VAL 157 Cb 0.32 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 3pcc h VAL 157 CO 0.00 0.35 0.10 0.25 0.02 0.00 0.00 177.57 178.29 3pcc h LEU 158 N -1.00 0.16 -0.12 2.57 5.85 -1.89 0.34 115.31 121.23 3pcc h LEU 158 Ca -0.12 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.59 3pcc h LEU 158 Cb 0.92 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.91 3pcc h LEU 158 CO -0.08 0.12 0.00 0.59 -0.34 0.00 0.00 178.44 178.73 3pcc n ASN 159 N -4.52 0.13 0.14 1.25 3.02 -0.40 -1.86 115.26 113.02 3pcc n ASN 159 Ca -0.01 0.53 0.12 0.00 -0.03 0.00 0.00 54.58 55.19 3pcc n ASN 159 Cb 0.09 -0.56 0.23 0.00 -0.61 0.00 0.00 39.78 38.93 3pcc n ASN 159 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3pcc h LEU 160 N 0.00 0.00 -8.95 3.41 3.38 -0.99 -3.43 115.31 108.74 3pcc h LEU 160 Ca 0.00 -0.04 -0.57 0.00 0.09 0.00 0.00 57.88 57.36 3pcc h LEU 160 Cb 0.30 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 3pcc h LEU 160 CO 0.00 0.02 0.93 -0.63 0.09 0.00 0.00 178.44 178.85 3pcc s ILE 161 N -3.18 4.25 0.13 1.22 1.01 -0.78 -4.94 121.20 118.91 3pcc s ILE 161 Ca 0.07 1.42 -0.32 0.00 0.00 0.00 0.00 60.65 61.82 3pcc s ILE 161 Cb 0.10 -4.25 -0.10 0.00 0.01 0.00 0.00 42.46 38.22 3pcc s ILE 161 CO 0.67 -0.50 1.56 -0.33 0.00 0.00 0.00 174.94 176.34 3pcc h GLU 162 N 8.92 -0.49 -5.91 2.79 5.08 -1.88 -3.39 114.58 119.70 3pcc h GLU 162 Ca -0.24 0.03 -0.61 0.00 -1.00 0.00 0.00 59.36 57.54 3pcc h GLU 162 Cb 1.09 0.11 -0.12 0.00 0.50 0.00 0.00 28.75 30.33 3pcc h GLU 162 CO 1.04 -0.33 0.44 -0.65 -1.00 0.00 0.00 179.01 178.52 3pcc s GLN 163 N -5.75 3.57 0.42 2.33 -1.52 -1.26 -4.94 119.66 112.50 3pcc s GLN 163 Ca -0.15 0.13 0.19 0.00 -1.95 0.00 0.00 55.36 53.58 3pcc s GLN 163 Cb 0.08 -3.89 1.11 0.00 -0.22 0.00 0.00 33.01 30.10 3pcc s GLN 163 CO 0.62 -1.06 1.82 -1.00 -0.25 0.00 0.00 175.29 175.42 3pcc h PRO 164 N 8.84 0.37 -0.96 2.91 0.13 -1.98 0.14 132.00 141.45 3pcc h PRO 164 Ca -0.24 -0.02 0.05 0.00 -0.87 0.00 0.00 66.00 64.92 3pcc h PRO 164 Cb 1.08 -0.08 -0.06 0.00 0.13 0.00 0.00 31.00 32.07 3pcc h PRO 164 CO 0.97 0.25 0.61 1.96 -0.23 0.00 0.00 178.00 181.56 3pcc h GLN 165 N 0.38 1.11 0.00 0.86 7.50 -1.95 -1.86 115.11 121.15 3pcc h GLN 165 Ca 0.52 -0.07 -0.05 0.00 0.50 0.00 0.00 58.65 59.55 3pcc h GLN 165 Cb 1.34 -0.25 -0.01 0.00 0.05 0.00 0.00 27.48 28.62 3pcc h GLN 165 CO -0.21 0.73 -0.24 0.00 -1.50 0.00 0.00 178.83 177.62 3pcc h ARG 166 N 1.14 0.00 -0.17 1.46 3.08 -1.13 -3.07 114.38 115.70 3pcc h ARG 166 Ca 0.40 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.43 3pcc h ARG 166 Cb 0.11 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3pcc h ARG 166 CO -0.16 0.24 0.02 0.00 -1.07 0.00 0.00 179.97 179.00 3pcc h ARG 167 N 0.00 0.23 0.00 0.04 3.08 -1.27 -2.44 114.38 114.02 3pcc h ARG 167 Ca -0.00 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 3pcc h ARG 167 Cb 0.63 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.63 3pcc h ARG 167 CO 0.03 0.24 -0.16 0.93 -1.07 0.00 0.00 179.97 179.94 3pcc h GLU 168 N 0.23 0.00 0.00 0.04 5.08 -1.60 -2.27 114.58 116.06 3pcc h GLU 168 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3pcc h GLU 168 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3pcc h GLU 168 CO 0.00 0.16 0.01 1.79 -1.00 0.00 0.00 179.01 179.98 3pcc h THR 169 N 0.00 0.00 -0.00 1.13 1.35 -1.62 -1.65 112.91 112.12 3pcc h THR 169 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3pcc h THR 169 Cb 0.29 0.73 0.00 0.00 -1.73 0.00 0.00 68.15 67.45 3pcc h THR 169 CO 0.02 0.00 -0.65 0.18 -0.25 0.00 0.00 175.52 174.82 3pcc n LEU 170 N -2.67 0.81 -4.60 3.87 4.77 -0.85 -4.82 117.00 113.51 3pcc n LEU 170 Ca -0.02 -0.24 -0.40 0.00 -0.03 0.00 0.00 56.01 55.31 3pcc n LEU 170 Cb 0.07 -0.14 -0.07 0.00 -2.33 0.00 0.00 43.42 40.95 3pcc n LEU 170 CO 0.15 0.19 0.27 -0.63 -1.33 0.00 0.00 177.39 176.04 3pcc s ILE 171 N -2.92 5.04 0.26 -0.08 1.01 -0.62 -1.12 121.20 122.75 3pcc s ILE 171 Ca 0.12 0.79 -0.29 0.00 0.00 0.00 0.00 60.65 61.26 3pcc s ILE 171 Cb 0.17 -3.88 -0.09 0.00 0.01 0.00 0.00 42.46 38.67 3pcc s ILE 171 CO 0.74 -0.01 0.96 0.00 0.00 0.00 0.00 174.94 176.63 3pcc s ALA 172 N 2.38 3.33 -0.36 9.38 0.00 0.11 -4.82 121.76 131.77 3pcc s ALA 172 Ca 0.21 0.64 -0.21 0.00 0.00 0.00 0.00 51.96 52.61 3pcc s ALA 172 Cb -0.15 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.75 3pcc s ALA 172 CO 0.10 0.16 0.64 0.15 0.00 0.00 0.00 175.76 176.82 3pcc s LYS 173 N -1.34 3.66 0.41 0.00 1.02 -1.04 -1.32 119.74 121.12 3pcc s LYS 173 Ca 0.43 0.04 -0.26 0.00 0.02 0.00 0.00 55.97 56.19 3pcc s LYS 173 Cb -0.26 -3.82 -0.09 0.00 -0.52 0.00 0.00 37.83 33.15 3pcc s LYS 173 CO 0.32 -0.76 1.31 0.50 -0.92 0.00 0.00 175.35 175.80 3pcc s ARG 174 N 2.73 3.96 0.06 1.68 3.52 -1.26 -1.08 118.95 128.57 3pcc s ARG 174 Ca 0.25 2.17 -0.01 0.00 -0.13 0.00 0.00 55.73 58.00 3pcc s ARG 174 Cb -0.14 -2.76 0.01 0.00 -1.56 0.00 0.00 34.95 30.49 3pcc s ARG 174 CO 0.15 -0.50 0.11 0.00 -0.81 0.00 0.00 175.30 174.25 3pcc s GLU 176 N -2.07 0.46 -0.24 0.00 2.56 -1.26 -1.12 118.70 117.03 3pcc s GLU 176 Ca 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 54.97 54.72 3pcc s GLU 176 Cb -0.01 -0.41 0.07 0.00 2.00 0.00 0.00 34.13 35.78 3pcc s GLU 176 CO 0.03 0.11 -0.02 0.08 -0.56 0.00 0.00 175.26 174.90 3pcc s VAL 177 N -0.33 1.36 -1.19 3.70 1.01 0.47 -4.72 120.40 120.70 3pcc s VAL 177 Ca 0.00 -1.22 -0.08 0.00 0.00 0.00 0.00 61.98 60.68 3pcc s VAL 177 Cb -0.03 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 3pcc s VAL 177 CO -0.00 -0.21 0.79 0.47 0.00 0.00 0.00 175.10 176.14 3pcc n ASP 178 N 4.72 -3.78 -2.21 3.32 8.00 -1.26 -0.73 116.55 124.61 3pcc n ASP 178 Ca -0.09 -0.85 -0.17 0.00 0.71 0.00 0.00 54.79 54.39 3pcc n ASP 178 Cb 0.44 -4.15 -0.02 0.00 -0.02 0.00 0.00 41.12 37.37 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 -1.51 -0.03 3.40 0.44 0.00 -1.26 -4.97 105.19 101.26 3pcc n GLY 179 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 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 -4.68 2.40 0.10 1.61 2.47 0.09 -5.08 119.74 116.66 3pcc s LYS 180 Ca 0.00 -0.79 -0.31 0.00 -1.56 0.00 0.00 55.97 53.31 3pcc s LYS 180 Cb 0.00 -2.26 -0.08 0.00 -1.46 0.00 0.00 37.83 34.03 3pcc s LYS 180 CO 0.00 0.57 1.55 0.99 0.16 0.00 0.00 175.35 178.63 3pcc s THR 181 N -0.62 3.03 0.13 3.43 2.01 -1.26 0.18 115.64 122.53 3pcc s THR 181 Ca 0.09 0.62 0.06 0.00 0.31 0.00 0.00 61.69 62.77 3pcc s THR 181 Cb -0.11 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 3pcc s THR 181 CO 0.00 0.02 -0.13 0.00 -0.69 0.00 0.00 174.62 173.82 3pcc s ALA 182 N 1.88 1.49 -0.04 7.40 0.00 -0.27 -1.63 121.76 130.59 3pcc s ALA 182 Ca 0.70 -1.33 -0.01 0.00 0.00 0.00 0.00 51.96 51.32 3pcc s ALA 182 Cb -0.40 -0.05 0.03 0.00 0.00 0.00 0.00 23.12 22.70 3pcc s ALA 182 CO 0.31 0.06 0.02 0.71 0.00 0.00 0.00 175.76 176.86 3pcc s TYR 183 N -2.37 0.22 -0.26 0.00 2.02 -0.09 -0.44 117.35 116.43 3pcc s TYR 183 Ca 0.10 0.08 -0.11 0.00 -0.37 0.00 0.00 57.07 56.78 3pcc s TYR 183 Cb -0.03 -0.44 -0.05 0.00 -0.40 0.00 0.00 41.96 41.03 3pcc s TYR 183 CO 0.03 -0.16 0.18 0.50 -1.57 0.00 0.00 175.55 174.52 3pcc s ARG 184 N 1.49 4.00 -0.31 -0.62 3.52 -0.24 -1.50 118.95 125.29 3pcc s ARG 184 Ca -0.03 -0.30 0.01 0.00 -0.13 0.00 0.00 55.73 55.28 3pcc s ARG 184 Cb -0.13 -3.61 0.09 0.00 -1.56 0.00 0.00 34.95 29.75 3pcc s ARG 184 CO -0.03 -0.08 0.06 0.12 -0.81 0.00 0.00 175.30 174.56 3pcc s PHE 185 N 1.46 2.46 -0.02 5.12 5.36 0.16 -2.50 117.98 130.03 3pcc s PHE 185 Ca 0.07 -2.13 -0.12 0.00 -0.96 0.00 0.00 56.93 53.78 3pcc s PHE 185 Cb -0.15 -2.08 -0.05 0.00 -0.34 0.00 0.00 43.02 40.40 3pcc s PHE 185 CO 0.08 -0.88 0.35 -0.51 -1.46 0.00 0.00 175.22 172.80 3pcc s ASP 186 N 1.36 6.70 -0.12 6.13 1.01 -1.26 -3.90 116.67 126.58 3pcc s ASP 186 Ca 0.08 0.83 0.01 0.00 0.71 0.00 0.00 52.55 54.18 3pcc s ASP 186 Cb -0.18 -2.20 -0.01 0.00 1.01 0.00 0.00 42.92 41.54 3pcc s ASP 186 CO -0.17 0.33 -0.16 -0.63 0.21 0.00 0.00 175.17 174.75 3pcc s ILE 187 N -1.11 2.82 -0.29 0.77 1.01 -0.48 -4.98 121.20 118.94 3pcc s ILE 187 Ca 0.23 -0.75 -0.03 0.00 0.00 0.00 0.00 60.65 60.10 3pcc s ILE 187 Cb -0.15 -2.16 0.04 0.00 0.01 0.00 0.00 42.46 40.19 3pcc s ILE 187 CO 0.12 0.53 0.01 -0.13 0.00 0.00 0.00 174.94 175.47 3pcc s ARG 188 N 0.31 2.67 0.25 2.79 0.52 -1.26 -0.83 118.95 123.39 3pcc s ARG 188 Ca -0.12 -1.11 -0.01 0.00 -0.52 0.00 0.00 55.73 53.97 3pcc s ARG 188 Cb -0.16 -3.19 0.31 0.00 0.52 0.00 0.00 34.95 32.42 3pcc s ARG 188 CO 0.06 -0.54 1.68 0.82 0.02 0.00 0.00 175.30 177.35 3pcc h ILE 189 N 6.24 1.27 -3.38 1.52 2.04 -1.40 -0.25 117.51 123.56 3pcc h ILE 189 Ca -0.26 -1.28 -0.12 0.00 1.00 0.00 0.00 64.86 64.19 3pcc h ILE 189 Cb 1.09 1.26 -0.19 0.00 -0.74 0.00 0.00 36.82 38.24 3pcc h ILE 189 CO 0.56 0.42 -0.39 -1.58 0.00 0.00 0.00 178.15 177.17 3pcc s GLN 190 N -4.57 0.62 3.06 2.37 0.74 -1.26 -4.78 119.66 115.83 3pcc s GLN 190 Ca -0.08 -0.42 0.00 0.00 0.05 0.00 0.00 55.36 54.91 3pcc s GLN 190 Cb 0.13 0.26 0.00 0.00 1.10 0.00 0.00 33.01 34.51 3pcc s GLN 190 CO 0.81 -0.17 0.00 0.41 -0.55 0.00 0.00 175.29 175.79 3pcc n GLY 191 N 1.12 0.49 3.70 2.59 0.00 -1.26 -4.25 105.19 107.58 3pcc n GLY 191 Ca -0.21 -1.10 -0.43 0.00 0.00 0.00 0.00 46.02 44.27 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 8.97 2.65 -1.78 1.61 2.13 -1.26 -1.51 120.64 131.45 3pcc n GLU 192 Ca 0.00 0.96 -0.18 0.00 0.66 0.00 0.00 57.16 58.60 3pcc n GLU 192 Cb 0.00 -2.81 -0.06 0.00 0.27 0.00 0.00 31.44 28.85 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 3.95 1.14 3.62 8.31 0.00 -1.26 -4.91 105.19 116.04 3pcc n GLY 193 Ca 0.17 -0.13 -0.49 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.56 1.53 -2.26 1.61 2.13 -0.57 -4.60 120.64 115.92 3pcc n GLU 194 Ca -0.19 0.55 -0.38 0.00 0.66 0.00 0.00 57.16 57.80 3pcc n GLU 194 Cb 0.62 -2.21 -0.01 0.00 0.27 0.00 0.00 31.44 30.11 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 0.46 3.10 0.23 6.31 2.01 -0.10 -4.97 115.64 122.68 3pcc s THR 195 Ca 0.80 0.87 -0.30 0.00 0.31 0.00 0.00 61.69 63.37 3pcc s THR 195 Cb -0.83 -3.46 -0.09 0.00 0.01 0.00 0.00 72.50 68.13 3pcc s THR 195 CO 0.45 0.03 1.28 -0.69 -0.69 0.00 0.00 174.62 175.00 3pcc s VAL 196 N -1.48 3.19 0.03 3.82 1.01 -1.26 -4.96 120.40 120.74 3pcc s VAL 196 Ca 0.61 1.03 0.08 0.00 0.00 0.00 0.00 61.98 63.70 3pcc s VAL 196 Cb -0.30 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 3pcc s VAL 196 CO 0.37 0.18 -0.24 -0.36 0.00 0.00 0.00 175.10 175.04 3pcc s PHE 197 N -0.23 2.15 0.25 5.22 0.08 -1.26 -4.71 117.98 119.48 3pcc s PHE 197 Ca 0.54 -0.40 0.08 0.00 0.12 0.00 0.00 56.93 57.27 3pcc s PHE 197 Cb -0.36 -1.31 -0.04 0.00 -0.57 0.00 0.00 43.02 40.73 3pcc s PHE 197 CO 0.41 0.07 0.09 -0.06 -0.10 0.00 0.00 175.22 175.63 3pcc s PHE 198 N -0.74 2.91 -0.06 0.36 0.08 0.25 -5.01 117.98 115.77 3pcc s PHE 198 Ca 0.10 -0.16 0.02 0.00 0.12 0.00 0.00 56.93 57.02 3pcc s PHE 198 Cb -0.09 -1.32 0.01 0.00 -0.57 0.00 0.00 43.02 41.05 3pcc s PHE 198 CO 0.01 0.56 -0.12 0.34 -0.10 0.00 0.00 175.22 175.91 3pcc s ASP 199 N -3.67 1.77 0.00 1.36 2.15 -1.26 -4.39 116.67 112.63 3pcc s ASP 199 Ca 0.32 -0.30 0.00 0.00 0.43 0.00 0.00 52.55 53.00 3pcc s ASP 199 Cb -0.07 -0.82 0.00 0.00 -0.30 0.00 0.00 42.92 41.72 3pcc s ASP 199 CO 0.22 0.03 0.00 2.22 -0.17 0.00 0.00 175.17 177.48