#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pcg s ILE 2 N 0.00 4.28 -0.05 4.25 -1.09 -1.26 -5.05 121.20 122.28 3pcg s ILE 2 Ca 0.00 2.06 0.04 0.00 -2.23 0.00 0.00 60.65 60.53 3pcg s ILE 2 Cb 0.00 -4.32 -0.00 0.00 -1.58 0.00 0.00 42.46 36.56 3pcg s ILE 2 CO 0.00 0.40 -0.18 -1.61 -1.23 0.00 0.00 174.94 172.32 3pcg s GLU 3 N -0.55 1.96 0.69 2.79 0.41 -1.26 -5.14 118.70 117.60 3pcg s GLU 3 Ca 0.44 -0.63 0.01 0.00 -0.41 0.00 0.00 54.97 54.39 3pcg s GLU 3 Cb -0.25 -1.65 0.12 0.00 -1.78 0.00 0.00 34.13 30.57 3pcg s GLU 3 CO 0.31 0.22 0.95 -0.51 -0.49 0.00 0.00 175.26 175.74 3pcg s LEU 4 N 0.14 3.00 0.41 1.80 1.02 -1.26 -5.04 118.68 118.76 3pcg s LEU 4 Ca -0.07 -0.46 -0.26 0.00 0.02 0.00 0.00 54.13 53.36 3pcg s LEU 4 Cb -0.13 -1.90 -0.09 0.00 0.02 0.00 0.00 46.19 44.09 3pcg s LEU 4 CO 0.03 -1.77 1.36 -0.76 0.02 0.00 0.00 176.35 175.24 3pcg s LEU 5 N -5.05 4.20 0.38 1.79 1.43 -1.26 -4.95 118.68 115.22 3pcg s LEU 5 Ca 0.65 2.79 -0.24 0.00 -1.03 0.00 0.00 54.13 56.30 3pcg s LEU 5 Cb -0.05 -3.88 -0.10 0.00 0.03 0.00 0.00 46.19 42.19 3pcg s LEU 5 CO 0.43 -0.95 0.97 -2.16 0.23 0.00 0.00 176.35 174.88 3pcg s PRO 6 N -2.27 4.36 0.41 1.29 0.04 -1.26 -5.02 135.00 132.55 3pcg s PRO 6 Ca 0.57 1.30 -0.25 0.00 0.04 0.00 0.00 61.00 62.67 3pcg s PRO 6 Cb -0.41 -2.53 -0.08 0.00 0.04 0.00 0.00 34.50 31.52 3pcg s PRO 6 CO 0.53 0.07 1.18 -2.00 0.04 0.00 0.00 177.00 176.82 3pcg s GLU 7 N -2.54 3.98 0.27 4.56 2.12 -1.26 -4.95 118.70 120.88 3pcg s GLU 7 Ca 0.56 1.85 -0.31 0.00 0.36 0.00 0.00 54.97 57.44 3pcg s GLU 7 Cb -0.16 -2.63 -0.12 0.00 0.26 0.00 0.00 34.13 31.48 3pcg s GLU 7 CO 0.21 -0.39 1.62 2.41 -0.54 0.00 0.00 175.26 178.58 3pcg n THR 8 N -0.04 0.76 -2.17 -1.70 -1.04 -1.26 -4.91 114.28 103.92 3pcg n THR 8 Ca 0.05 -0.19 -0.39 0.00 -2.04 0.00 0.00 64.05 61.47 3pcg n THR 8 Cb 0.47 -1.95 -0.02 0.00 -1.82 0.00 0.00 70.33 67.01 3pcg n THR 8 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3pcg s PRO 9 N -0.08 4.14 0.63 -2.82 0.02 -1.26 -5.02 135.00 130.61 3pcg s PRO 9 Ca 0.67 2.06 -0.13 0.00 0.02 0.00 0.00 61.00 63.62 3pcg s PRO 9 Cb -0.50 -2.85 -0.02 0.00 0.02 0.00 0.00 34.50 31.14 3pcg s PRO 9 CO 0.44 -0.31 1.05 0.45 -0.33 0.00 0.00 177.00 178.30 3pcg s SER 10 N -0.79 5.75 0.02 2.53 0.15 -1.26 -5.08 113.70 115.03 3pcg s SER 10 Ca 0.54 1.67 -0.07 0.00 0.70 0.00 0.00 55.95 58.79 3pcg s SER 10 Cb -0.36 -2.51 -0.00 0.00 -1.71 0.00 0.00 66.02 61.44 3pcg s SER 10 CO 0.47 -1.19 0.13 -1.10 1.20 0.00 0.00 173.24 172.75 3pcg s GLN 11 N -4.58 0.57 0.72 5.44 -1.52 -1.21 -4.90 119.66 114.18 3pcg s GLN 11 Ca 0.60 -0.59 -0.16 0.00 -1.95 0.00 0.00 55.36 53.26 3pcg s GLN 11 Cb -0.14 0.23 0.02 0.00 -0.22 0.00 0.00 33.01 32.90 3pcg s GLN 11 CO 0.45 -0.14 1.13 -2.37 -0.25 0.00 0.00 175.29 174.11 3pcg n THR 12 N 1.03 3.26 0.15 -0.19 5.66 -1.22 -4.80 114.28 118.16 3pcg n THR 12 Ca -0.21 -0.37 0.00 0.00 -3.05 0.00 0.00 64.05 60.43 3pcg n THR 12 Cb 0.57 -1.25 0.22 0.00 -1.55 0.00 0.00 70.33 68.32 3pcg n THR 12 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3pcg h ALA 13 N -0.19 1.00 0.00 1.79 0.00 -1.74 -3.50 119.26 116.62 3pcg h ALA 13 Ca -0.48 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 53.93 3pcg h ALA 13 Cb 1.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3pcg h ALA 13 CO 0.48 0.69 0.00 0.41 0.00 0.00 0.00 179.25 180.84 3pcg n GLY 14 N 0.21 -1.32 0.05 0.00 0.00 -1.26 -3.99 105.19 98.88 3pcg n GLY 14 Ca -0.01 -1.59 0.08 0.00 0.00 0.00 0.00 46.02 44.50 3pcg n GLY 14 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3pcg n PRO 15 N -1.57 0.07 -0.30 1.61 -0.04 -1.26 -3.27 135.00 130.24 3pcg n PRO 15 Ca 0.00 0.35 0.07 0.00 -0.04 0.00 0.00 63.50 63.88 3pcg n PRO 15 Cb 0.00 -1.64 0.20 0.00 -0.04 0.00 0.00 33.50 32.03 3pcg n PRO 15 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3pcg n TYR 16 N -1.76 0.70 -0.35 0.54 4.01 -1.26 -4.66 117.16 114.37 3pcg n TYR 16 Ca 0.02 -0.65 0.25 0.00 -0.16 0.00 0.00 57.90 57.36 3pcg n TYR 16 Cb 0.16 -0.15 0.51 0.00 -0.31 0.00 0.00 39.34 39.55 3pcg n TYR 16 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 3pcg h VAL 17 N 2.02 0.39 -0.99 -0.72 3.04 -1.68 -1.90 116.25 116.41 3pcg h VAL 17 Ca 0.00 -0.12 0.20 0.00 -1.01 0.00 0.00 66.70 65.77 3pcg h VAL 17 Cb 1.05 0.02 -0.10 0.00 -2.01 0.00 0.00 31.29 30.24 3pcg h VAL 17 CO 0.10 0.06 0.62 0.45 -1.01 0.00 0.00 177.57 177.79 3pcg h HIS 18 N 0.35 0.94 -0.09 3.17 3.86 -1.85 0.38 115.15 121.91 3pcg h HIS 18 Ca 0.68 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.89 3pcg h HIS 18 Cb 1.72 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 29.89 3pcg h HIS 18 CO -0.01 0.20 -0.10 -0.84 0.86 0.00 0.00 177.93 178.05 3pcg h ILE 19 N 0.67 1.13 0.00 2.45 3.07 -1.56 0.27 117.51 123.53 3pcg h ILE 19 Ca 0.56 -0.56 -0.32 0.00 1.55 0.00 0.00 64.86 66.09 3pcg h ILE 19 Cb 1.01 1.17 -0.06 0.00 -0.27 0.00 0.00 36.82 38.67 3pcg h ILE 19 CO -0.34 0.17 -1.98 0.61 -1.05 0.00 0.00 178.15 175.56 3pcg n GLY 20 N -1.07 -0.99 0.00 0.16 0.00 -0.23 -4.59 105.19 98.48 3pcg n GLY 20 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3pcg n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3pcg n LEU 21 N -2.94 0.01 -3.02 0.99 4.77 -0.04 -4.84 117.00 111.92 3pcg n LEU 21 Ca -0.23 -0.48 -0.17 0.00 -0.03 0.00 0.00 56.01 55.10 3pcg n LEU 21 Cb 1.09 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 42.17 3pcg n LEU 21 CO 0.44 0.00 -0.07 0.00 -1.33 0.00 0.00 177.39 176.43 3pcg n ALA 22 N -0.94 0.95 -0.14 -1.18 0.00 0.90 -4.95 120.51 115.15 3pcg n ALA 22 Ca 0.00 -2.64 -0.12 0.00 0.00 0.00 0.00 53.44 50.67 3pcg n ALA 22 Cb 0.00 -1.01 -0.08 0.00 0.00 0.00 0.00 19.45 18.36 3pcg n ALA 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3pcg h LEU 23 N 3.64 -1.70 -0.47 0.00 4.07 -1.67 0.52 115.31 119.69 3pcg h LEU 23 Ca -0.00 0.24 0.09 0.00 0.08 0.00 0.00 57.88 58.29 3pcg h LEU 23 Cb 0.97 0.71 -0.10 0.00 1.08 0.00 0.00 40.66 43.32 3pcg h LEU 23 CO 0.39 -0.39 -0.32 -0.08 -1.08 0.00 0.00 178.44 176.96 3pcg h GLU 24 N -0.37 -0.20 -0.53 1.13 4.81 -1.87 0.38 114.58 117.92 3pcg h GLU 24 Ca 0.10 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.39 3pcg h GLU 24 Cb 0.60 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.99 3pcg h GLU 24 CO -0.59 -0.13 0.36 0.00 -0.73 0.00 0.00 179.01 177.91 3pcg h ALA 25 N 0.89 1.81 0.00 2.92 0.00 -1.71 0.60 119.26 123.78 3pcg h ALA 25 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3pcg h ALA 25 Cb 0.53 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3pcg h ALA 25 CO -0.59 0.12 0.00 0.00 0.00 0.00 0.00 179.25 178.78 3pcg n ALA 26 N -2.48 1.91 -2.95 0.00 0.00 0.10 -4.86 120.51 112.22 3pcg n ALA 26 Ca 0.07 -0.07 -0.11 0.00 0.00 0.00 0.00 53.44 53.32 3pcg n ALA 26 Cb 0.19 -1.31 0.05 0.00 0.00 0.00 0.00 19.45 18.38 3pcg n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3pcg n GLY 27 N 0.44 0.05 3.35 0.00 0.00 0.21 -4.96 105.19 104.28 3pcg n GLY 27 Ca 0.06 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 3pcg n GLY 27 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3pcg s ASN 28 N -3.47 2.74 0.28 1.61 0.01 -0.81 -5.04 114.94 110.25 3pcg s ASN 28 Ca 0.16 -0.91 -0.30 0.00 -0.71 0.00 0.00 52.86 51.10 3pcg s ASN 28 Cb -0.07 -0.16 -0.12 0.00 0.41 0.00 0.00 41.25 41.30 3pcg s ASN 28 CO 0.41 -0.06 1.47 -2.65 -1.51 0.00 0.00 177.10 174.76 3pcg n PRO 29 N 0.06 2.34 -2.72 -0.60 -0.02 -1.26 -3.97 135.00 128.82 3pcg n PRO 29 Ca -0.11 0.83 -0.20 0.00 -2.02 0.00 0.00 63.50 61.99 3pcg n PRO 29 Cb 0.58 -2.53 0.03 0.00 -0.02 0.00 0.00 33.50 31.56 3pcg n PRO 29 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3pcg s THR 30 N -0.20 2.80 0.60 3.45 -4.23 -1.26 -4.87 115.64 111.93 3pcg s THR 30 Ca 0.64 -0.71 0.03 0.00 -1.18 0.00 0.00 61.69 60.47 3pcg s THR 30 Cb -0.57 -3.03 0.07 0.00 1.34 0.00 0.00 72.50 70.31 3pcg s THR 30 CO 0.51 -0.02 0.83 -0.13 -0.54 0.00 0.00 174.62 175.28 3pcg s ARG 31 N -4.68 2.23 0.26 3.99 0.52 -1.26 -5.01 118.95 115.00 3pcg s ARG 31 Ca 0.56 -1.10 -0.03 0.00 -0.52 0.00 0.00 55.73 54.65 3pcg s ARG 31 Cb -0.10 -2.49 0.38 0.00 0.52 0.00 0.00 34.95 33.25 3pcg s ARG 31 CO 0.37 -0.95 1.89 -0.44 0.02 0.00 0.00 175.30 176.19 3pcg h ASP 32 N -0.06 1.05 -3.19 0.23 3.32 -2.07 -3.40 116.42 112.30 3pcg h ASP 32 Ca -0.38 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.09 3pcg h ASP 32 Cb 1.28 -0.22 -0.35 0.00 0.22 0.00 0.00 39.33 40.26 3pcg h ASP 32 CO 0.45 0.69 -0.83 -1.10 -1.72 0.00 0.00 179.24 176.73 3pcg s GLN 33 N -6.05 2.19 0.07 3.56 -0.21 -1.26 -5.13 119.66 112.82 3pcg s GLN 33 Ca -0.13 -0.53 0.07 0.00 0.02 0.00 0.00 55.36 54.79 3pcg s GLN 33 Cb 0.20 -1.96 -0.03 0.00 1.00 0.00 0.00 33.01 32.22 3pcg s GLN 33 CO 0.81 -0.16 -0.19 -1.21 -2.12 0.00 0.00 175.29 172.43 3pcg s GLU 34 N 1.28 1.15 -0.44 2.91 0.41 -1.26 -5.11 118.70 117.64 3pcg s GLU 34 Ca -0.00 -0.99 -0.21 0.00 -0.41 0.00 0.00 54.97 53.36 3pcg s GLU 34 Cb -0.14 -1.29 0.02 0.00 -1.78 0.00 0.00 34.13 30.95 3pcg s GLU 34 CO -0.06 0.31 0.64 0.42 -0.49 0.00 0.00 175.26 176.08 3pcg s ILE 35 N -0.99 4.83 0.00 -1.63 1.01 -1.26 -5.01 121.20 118.15 3pcg s ILE 35 Ca 0.05 0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.83 3pcg s ILE 35 Cb -0.09 -4.20 0.00 0.00 0.01 0.00 0.00 42.46 38.17 3pcg s ILE 35 CO 0.03 -0.59 0.00 1.87 0.00 0.00 0.00 174.94 176.24 3pcg n TRP 36 N 6.26 0.00 0.50 3.97 -0.00 -1.26 -4.54 117.44 122.36 3pcg n TRP 36 Ca -0.02 0.00 0.04 0.00 -0.00 0.00 0.00 57.50 57.53 3pcg n TRP 36 Cb 0.48 0.00 0.17 0.00 -0.00 0.00 0.00 31.31 31.96 3pcg n TRP 36 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 3pcg n ASN 37 N 0.00 2.56 -4.02 5.87 6.94 -0.42 -1.54 115.26 124.64 3pcg n ASN 37 Ca 0.00 -2.22 -0.33 0.00 -0.02 0.00 0.00 54.58 52.01 3pcg n ASN 37 Cb 0.00 -0.41 -0.11 0.00 -2.36 0.00 0.00 39.78 36.89 3pcg n ASN 37 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 3pcg s ARG 38 N -1.68 2.37 0.22 -3.83 3.52 -1.26 -0.47 118.95 117.82 3pcg s ARG 38 Ca 0.24 -2.70 0.01 0.00 -0.13 0.00 0.00 55.73 53.15 3pcg s ARG 38 Cb 0.16 -3.56 0.21 0.00 -1.56 0.00 0.00 34.95 30.20 3pcg s ARG 38 CO 0.12 -1.16 1.56 -0.07 -0.81 0.00 0.00 175.30 174.93 3pcg h LEU 39 N 6.59 0.47 -8.74 -0.88 4.07 -0.80 -3.45 115.31 112.57 3pcg h LEU 39 Ca -0.02 -0.24 -0.70 0.00 0.08 0.00 0.00 57.88 57.01 3pcg h LEU 39 Cb 0.90 -0.13 -0.27 0.00 1.08 0.00 0.00 40.66 42.24 3pcg h LEU 39 CO 0.71 0.91 -0.85 0.00 -1.08 0.00 0.00 178.44 178.13 3pcg s ALA 40 N -3.97 2.35 0.33 1.53 0.00 -1.20 0.01 121.76 120.80 3pcg s ALA 40 Ca -0.06 -1.12 -0.10 0.00 0.00 0.00 0.00 51.96 50.69 3pcg s ALA 40 Cb 0.12 -0.66 -0.07 0.00 0.00 0.00 0.00 23.12 22.51 3pcg s ALA 40 CO 0.82 0.54 0.66 0.15 0.00 0.00 0.00 175.76 177.93 3pcg s LYS 41 N -0.83 3.78 0.36 0.00 1.02 0.28 -4.83 119.74 119.52 3pcg s LYS 41 Ca 0.11 0.34 0.18 0.00 0.02 0.00 0.00 55.97 56.62 3pcg s LYS 41 Cb -0.10 -2.52 1.26 0.00 -0.52 0.00 0.00 37.83 35.95 3pcg s LYS 41 CO 0.01 0.13 1.58 -1.35 -0.92 0.00 0.00 175.35 174.80 3pcg h PRO 42 N 1.79 0.00 -0.73 -1.68 0.11 -2.01 0.52 132.00 130.00 3pcg h PRO 42 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3pcg h PRO 42 Cb 1.18 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3pcg h PRO 42 CO 0.66 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.05 3pcg n ASP 43 N -5.30 2.28 -4.75 -2.05 5.68 -1.26 -4.90 116.55 106.25 3pcg n ASP 43 Ca 0.36 -2.24 -0.40 0.00 -0.50 0.00 0.00 54.79 52.01 3pcg n ASP 43 Cb 1.21 -0.48 -0.06 0.00 -1.14 0.00 0.00 41.12 40.65 3pcg n ASP 43 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3pcg s ALA 44 N -1.59 3.36 0.45 2.12 0.00 0.18 -5.02 121.76 121.27 3pcg s ALA 44 Ca 0.17 0.54 -0.23 0.00 0.00 0.00 0.00 51.96 52.44 3pcg s ALA 44 Cb 0.12 -3.15 -0.07 0.00 0.00 0.00 0.00 23.12 20.02 3pcg s ALA 44 CO 0.06 0.21 1.21 -1.25 0.00 0.00 0.00 175.76 175.99 3pcg s PRO 45 N -1.05 3.75 0.00 0.00 0.04 -1.26 -4.88 135.00 131.60 3pcg s PRO 45 Ca 0.40 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.34 3pcg s PRO 45 Cb -0.25 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 31.82 3pcg s PRO 45 CO 0.30 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 177.16 3pcg n GLY 46 N 0.54 1.25 3.58 0.56 0.00 -1.26 -4.60 105.19 105.25 3pcg n GLY 46 Ca 0.07 -2.23 -0.43 0.00 0.00 0.00 0.00 46.02 43.43 3pcg n GLY 46 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3pcg s GLU 47 N -1.31 3.64 -0.04 1.61 2.02 -1.26 -4.95 118.70 118.41 3pcg s GLU 47 Ca 0.00 0.33 -0.30 0.00 0.02 0.00 0.00 54.97 55.02 3pcg s GLU 47 Cb 0.00 -3.89 -0.05 0.00 0.10 0.00 0.00 34.13 30.29 3pcg s GLU 47 CO 0.00 -1.18 1.36 -1.01 0.02 0.00 0.00 175.26 174.45 3pcg s HIS 48 N 3.80 2.86 0.19 1.61 3.76 -1.26 -1.50 115.29 124.74 3pcg s HIS 48 Ca 0.39 0.88 0.04 0.00 -0.15 0.00 0.00 55.06 56.22 3pcg s HIS 48 Cb -0.10 -3.61 -0.05 0.00 1.11 0.00 0.00 32.58 29.93 3pcg s HIS 48 CO 0.25 -2.22 -0.05 0.96 -0.85 0.00 0.00 174.74 172.84 3pcg s ILE 49 N 2.62 1.06 -0.11 0.60 -4.36 -0.22 -4.56 121.20 116.23 3pcg s ILE 49 Ca 0.62 -2.04 0.02 0.00 -0.26 0.00 0.00 60.65 58.98 3pcg s ILE 49 Cb -0.29 -2.09 -0.01 0.00 1.25 0.00 0.00 42.46 41.32 3pcg s ILE 49 CO 0.24 -0.53 -0.18 -0.22 0.24 0.00 0.00 174.94 174.49 3pcg s LEU 50 N -3.23 2.45 -0.05 0.37 2.96 0.07 -2.31 118.68 118.95 3pcg s LEU 50 Ca 0.23 -0.42 0.03 0.00 -0.22 0.00 0.00 54.13 53.75 3pcg s LEU 50 Cb 0.04 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 45.18 3pcg s LEU 50 CO 0.04 0.18 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.37 3pcg s LEU 51 N 0.27 2.88 0.02 -0.68 1.43 -0.30 -1.16 118.68 121.15 3pcg s LEU 51 Ca -0.13 -0.15 -0.16 0.00 -1.03 0.00 0.00 54.13 52.66 3pcg s LEU 51 Cb -0.16 -1.61 0.03 0.00 0.03 0.00 0.00 46.19 44.48 3pcg s LEU 51 CO 0.07 0.34 0.36 -1.48 0.23 0.00 0.00 176.35 175.86 3pcg s LEU 52 N -0.84 0.65 0.13 1.79 -0.00 -0.60 -0.55 118.68 119.26 3pcg s LEU 52 Ca 0.12 0.02 -0.25 0.00 -0.00 0.00 0.00 54.13 54.02 3pcg s LEU 52 Cb -0.11 1.49 0.08 0.00 -0.00 0.00 0.00 46.19 47.66 3pcg s LEU 52 CO 0.01 -0.57 1.07 -0.83 -0.00 0.00 0.00 176.35 176.04 3pcg s GLY 53 N -1.72 -0.12 0.09 -3.48 0.00 -0.99 0.01 107.32 101.11 3pcg s GLY 53 Ca -0.09 0.03 0.06 0.00 0.00 0.00 0.00 44.72 44.72 3pcg s GLY 53 CO 0.01 1.37 -0.15 1.20 0.00 0.00 0.00 173.10 175.53 3pcg s GLN 54 N -2.61 0.91 -0.09 2.90 -0.21 -1.25 -1.10 119.66 118.22 3pcg s GLN 54 Ca 0.18 -1.05 0.02 0.00 0.02 0.00 0.00 55.36 54.52 3pcg s GLN 54 Cb -0.01 -0.93 -0.02 0.00 1.00 0.00 0.00 33.01 33.05 3pcg s GLN 54 CO 0.02 0.20 -0.14 0.08 -2.12 0.00 0.00 175.29 173.34 3pcg s VAL 55 N -1.45 3.07 0.03 1.09 1.01 -1.26 -0.93 120.40 121.96 3pcg s VAL 55 Ca 0.02 -0.69 0.07 0.00 0.00 0.00 0.00 61.98 61.38 3pcg s VAL 55 Cb -0.09 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 3pcg s VAL 55 CO 0.03 0.56 -0.20 -0.31 0.00 0.00 0.00 175.10 175.18 3pcg s TYR 56 N -0.23 1.77 0.76 5.22 1.51 0.02 -0.97 117.35 125.42 3pcg s TYR 56 Ca 0.01 -0.36 -0.04 0.00 -1.01 0.00 0.00 57.07 55.67 3pcg s TYR 56 Cb -0.13 -1.08 0.13 0.00 -0.11 0.00 0.00 41.96 40.77 3pcg s TYR 56 CO 0.03 0.05 1.04 0.16 -1.11 0.00 0.00 175.55 175.73 3pcg s ASP 57 N -0.96 4.18 0.00 2.29 1.47 0.20 -1.19 116.67 122.66 3pcg s ASP 57 Ca 0.07 -0.22 0.08 0.00 1.18 0.00 0.00 52.55 53.67 3pcg s ASP 57 Cb -0.08 -0.13 0.39 0.00 -0.34 0.00 0.00 42.92 42.75 3pcg s ASP 57 CO 0.01 -1.98 1.21 0.61 0.68 0.00 0.00 175.17 175.69 3pcg n GLY 58 N -2.98 -0.68 0.44 2.12 0.00 -1.26 -1.88 105.19 100.94 3pcg n GLY 58 Ca 0.15 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.23 3pcg n GLY 58 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3pcg n ASN 59 N -1.40 1.87 0.00 1.61 3.02 -1.26 -4.77 115.26 114.33 3pcg n ASN 59 Ca 0.03 -1.44 0.00 0.00 -0.03 0.00 0.00 54.58 53.14 3pcg n ASN 59 Cb 0.08 0.50 0.00 0.00 -0.61 0.00 0.00 39.78 39.76 3pcg n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pcg n GLY 60 N 1.35 0.65 3.90 7.41 0.00 -0.79 -5.06 105.19 112.65 3pcg n GLY 60 Ca 0.08 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.29 3pcg n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3pcg s HIS 61 N -2.00 3.55 0.33 1.61 3.76 -1.26 -4.84 115.29 116.45 3pcg s HIS 61 Ca 0.00 0.42 -0.29 0.00 -0.15 0.00 0.00 55.06 55.04 3pcg s HIS 61 Cb 0.00 -1.88 -0.10 0.00 1.11 0.00 0.00 32.58 31.71 3pcg s HIS 61 CO 0.00 0.61 1.35 -0.51 -0.85 0.00 0.00 174.74 175.34 3pcg s LEU 62 N -2.05 4.40 -0.52 0.89 1.43 -1.26 -0.63 118.68 120.96 3pcg s LEU 62 Ca 0.30 2.75 -0.14 0.00 -1.03 0.00 0.00 54.13 56.01 3pcg s LEU 62 Cb -0.13 -3.65 0.12 0.00 0.03 0.00 0.00 46.19 42.56 3pcg s LEU 62 CO 0.20 -0.61 0.45 -0.69 0.23 0.00 0.00 176.35 175.93 3pcg s VAL 63 N -1.06 4.91 -1.73 -1.59 1.01 -0.15 -4.84 120.40 116.95 3pcg s VAL 63 Ca 0.50 -1.56 0.09 0.00 0.00 0.00 0.00 61.98 61.02 3pcg s VAL 63 Cb -0.41 -4.16 0.31 0.00 0.00 0.00 0.00 36.38 32.12 3pcg s VAL 63 CO 0.54 -0.82 1.21 0.54 0.00 0.00 0.00 175.10 176.56 3pcg n ARG 64 N 5.14 1.96 -0.78 2.72 1.74 -1.26 -4.15 116.66 122.04 3pcg n ARG 64 Ca -0.12 -1.24 0.05 0.00 -0.77 0.00 0.00 57.85 55.77 3pcg n ARG 64 Cb 0.40 -1.37 0.10 0.00 -1.02 0.00 0.00 32.46 30.57 3pcg n ARG 64 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3pcg n ASP 65 N 0.43 1.30 -4.81 0.55 5.68 -1.26 -3.90 116.55 114.54 3pcg n ASP 65 Ca 0.11 -2.82 -0.32 0.00 -0.50 0.00 0.00 54.79 51.26 3pcg n ASP 65 Cb 0.36 -0.38 0.02 0.00 -1.14 0.00 0.00 41.12 39.98 3pcg n ASP 65 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 3pcg s SER 66 N -2.39 5.69 -0.05 -1.12 0.01 -1.26 -4.56 113.70 110.02 3pcg s SER 66 Ca 0.29 1.71 -0.00 0.00 1.31 0.00 0.00 55.95 59.26 3pcg s SER 66 Cb 0.30 -2.52 0.03 0.00 0.21 0.00 0.00 66.02 64.04 3pcg s SER 66 CO -0.07 -1.23 -0.01 0.12 0.41 0.00 0.00 173.24 172.46 3pcg s PHE 67 N -2.71 0.55 -0.00 2.43 5.36 0.56 -2.32 117.98 121.85 3pcg s PHE 67 Ca 0.61 -0.11 0.06 0.00 -0.96 0.00 0.00 56.93 56.53 3pcg s PHE 67 Cb -0.15 -0.63 -0.02 0.00 -0.34 0.00 0.00 43.02 41.89 3pcg s PHE 67 CO 0.44 -0.22 -0.18 -0.51 -1.46 0.00 0.00 175.22 173.29 3pcg s LEU 68 N 1.39 2.06 -0.04 6.12 1.02 -0.56 -0.26 118.68 128.42 3pcg s LEU 68 Ca -0.04 -0.36 0.07 0.00 0.02 0.00 0.00 54.13 53.82 3pcg s LEU 68 Cb -0.13 -0.90 -0.02 0.00 0.02 0.00 0.00 46.19 45.16 3pcg s LEU 68 CO -0.03 0.20 -0.25 -1.61 0.02 0.00 0.00 176.35 174.68 3pcg s GLU 69 N -0.57 2.27 0.08 1.70 2.02 -0.68 -1.40 118.70 122.12 3pcg s GLU 69 Ca 0.07 -0.90 0.07 0.00 0.02 0.00 0.00 54.97 54.23 3pcg s GLU 69 Cb -0.07 -2.05 -0.03 0.00 0.10 0.00 0.00 34.13 32.08 3pcg s GLU 69 CO -0.00 0.46 -0.19 0.14 0.02 0.00 0.00 175.26 175.69 3pcg s VAL 70 N -0.38 1.54 -0.08 2.63 -7.23 -0.64 -1.01 120.40 115.23 3pcg s VAL 70 Ca 0.03 -1.39 -0.03 0.00 -1.81 0.00 0.00 61.98 58.78 3pcg s VAL 70 Cb -0.12 -1.40 0.04 0.00 0.56 0.00 0.00 36.38 35.47 3pcg s VAL 70 CO 0.01 -0.04 0.15 0.86 -0.31 0.00 0.00 175.10 175.78 3pcg s TRP 71 N -1.09 -0.17 0.08 2.82 -0.11 0.02 -2.30 118.94 118.19 3pcg s TRP 71 Ca 0.05 0.55 -0.13 0.00 1.22 0.00 0.00 56.10 57.79 3pcg s TRP 71 Cb -0.10 -0.17 0.02 0.00 -1.50 0.00 0.00 33.47 31.72 3pcg s TRP 71 CO 0.03 -0.22 0.30 1.14 -4.62 0.00 0.00 176.95 173.58 3pcg s GLN 72 N 1.72 0.90 0.64 5.86 -2.07 -0.13 -0.60 119.66 125.98 3pcg s GLN 72 Ca -0.03 -0.71 -0.11 0.00 -1.82 0.00 0.00 55.36 52.69 3pcg s GLN 72 Cb -0.12 0.38 -0.03 0.00 -1.09 0.00 0.00 33.01 32.16 3pcg s GLN 72 CO -0.06 -0.31 1.04 0.00 -1.32 0.00 0.00 175.29 174.64 3pcg s ALA 73 N -3.36 3.06 1.06 2.60 0.00 -1.26 -4.46 121.76 119.40 3pcg s ALA 73 Ca 0.01 -0.17 -0.15 0.00 0.00 0.00 0.00 51.96 51.65 3pcg s ALA 73 Cb 0.02 -3.05 0.21 0.00 0.00 0.00 0.00 23.12 20.30 3pcg s ALA 73 CO -0.08 -0.78 1.09 -0.40 0.00 0.00 0.00 175.76 175.58 3pcg n ASP 74 N -2.79 -0.50 0.27 0.00 5.68 0.14 -4.30 116.55 115.05 3pcg n ASP 74 Ca 0.06 -1.32 0.15 0.00 -0.50 0.00 0.00 54.79 53.19 3pcg n ASP 74 Cb 0.55 -0.88 0.88 0.00 -1.14 0.00 0.00 41.12 40.53 3pcg n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3pcg h ALA 75 N -2.06 1.63 0.00 2.12 0.00 -1.82 0.56 119.26 119.69 3pcg h ALA 75 Ca -0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3pcg h ALA 75 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3pcg h ALA 75 CO 0.25 -0.09 -0.05 0.09 0.00 0.00 0.00 179.25 179.46 3pcg n ASN 76 N -3.86 0.10 0.00 0.00 3.02 -1.26 -3.71 115.26 109.55 3pcg n ASN 76 Ca -0.02 0.44 0.00 0.00 -0.03 0.00 0.00 54.58 54.97 3pcg n ASN 76 Cb 0.15 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.87 3pcg n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pcg n GLY 77 N 1.49 0.75 3.46 7.41 0.00 0.00 -4.76 105.19 113.54 3pcg n GLY 77 Ca 0.07 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 3pcg n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3pcg s GLU 78 N -2.69 3.28 -0.23 1.61 2.02 -1.26 -4.69 118.70 116.75 3pcg s GLU 78 Ca 0.00 -0.61 -0.24 0.00 0.02 0.00 0.00 54.97 54.14 3pcg s GLU 78 Cb 0.00 -2.69 -0.01 0.00 0.10 0.00 0.00 34.13 31.53 3pcg s GLU 78 CO 0.00 0.34 0.78 0.71 0.02 0.00 0.00 175.26 177.11 3pcg s TYR 79 N 0.05 3.33 -0.65 1.61 2.02 -1.26 0.28 117.35 122.73 3pcg s TYR 79 Ca -0.03 1.09 -0.14 0.00 -0.37 0.00 0.00 57.07 57.62 3pcg s TYR 79 Cb -0.14 -2.99 0.17 0.00 -0.40 0.00 0.00 41.96 38.59 3pcg s TYR 79 CO 0.04 -0.35 0.59 -0.65 -1.57 0.00 0.00 175.55 173.61 3pcg s GLN 80 N 2.60 3.16 0.36 -0.62 -1.52 -1.26 -4.93 119.66 117.45 3pcg s GLN 80 Ca 0.33 -2.05 0.23 0.00 -1.95 0.00 0.00 55.36 51.93 3pcg s GLN 80 Cb -0.16 -4.29 0.26 0.00 -0.22 0.00 0.00 33.01 28.60 3pcg s GLN 80 CO 0.08 -1.29 1.45 0.38 -0.25 0.00 0.00 175.29 175.66 3pcg h ASP 81 N 8.33 0.00 -1.61 5.90 2.03 -1.98 -3.30 116.42 125.79 3pcg h ASP 81 Ca -0.12 -0.00 -0.61 0.00 -0.73 0.00 0.00 57.03 55.57 3pcg h ASP 81 Cb 1.07 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 39.46 3pcg h ASP 81 CO 0.89 0.00 1.27 0.00 -1.03 0.00 0.00 179.24 180.37 3pcg s ALA 82 N -3.25 2.85 -0.03 4.15 0.00 -1.26 -4.96 121.76 119.26 3pcg s ALA 82 Ca 0.05 -2.17 -0.30 0.00 0.00 0.00 0.00 51.96 49.54 3pcg s ALA 82 Cb 0.07 -4.37 -0.06 0.00 0.00 0.00 0.00 23.12 18.75 3pcg s ALA 82 CO 0.70 -3.42 1.65 -0.47 0.00 0.00 0.00 175.76 174.23 3pcg s TYR 83 N 4.68 2.06 -0.24 0.00 6.14 -1.26 -4.99 117.35 123.74 3pcg s TYR 83 Ca 0.41 0.22 -0.13 0.00 0.64 0.00 0.00 57.07 58.20 3pcg s TYR 83 Cb -0.03 -3.92 0.08 0.00 0.42 0.00 0.00 41.96 38.50 3pcg s TYR 83 CO -0.05 -3.86 0.57 1.21 0.64 0.00 0.00 175.55 174.07 3pcg s ASN 84 N 3.17 -0.77 0.57 4.32 3.84 -1.26 -5.03 114.94 119.77 3pcg s ASN 84 Ca 0.74 1.27 0.29 0.00 0.21 0.00 0.00 52.86 55.37 3pcg s ASN 84 Cb -0.35 1.22 1.71 0.00 -0.55 0.00 0.00 41.25 43.28 3pcg s ASN 84 CO 0.30 -0.22 2.20 -0.07 -2.79 0.00 0.00 177.10 176.52 3pcg h LEU 85 N 7.15 0.00 -0.62 3.21 3.38 -1.97 -0.76 115.31 125.70 3pcg h LEU 85 Ca -0.31 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.54 3pcg h LEU 85 Cb 1.20 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 3pcg h LEU 85 CO 0.20 0.04 -0.58 -0.33 0.09 0.00 0.00 178.44 177.87 3pcg h GLU 86 N 0.00 0.00 -6.79 1.13 5.08 -2.00 -3.45 114.58 108.55 3pcg h GLU 86 Ca -0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 3pcg h GLU 86 Cb 0.12 0.00 0.14 0.00 0.50 0.00 0.00 28.75 29.51 3pcg h GLU 86 CO 0.01 0.58 0.27 0.09 -1.00 0.00 0.00 179.01 178.96 3pcg n ASN 87 N -3.57 1.55 0.18 1.42 3.02 -0.29 -4.88 115.26 112.68 3pcg n ASN 87 Ca -0.00 0.97 0.06 0.00 -0.03 0.00 0.00 54.58 55.57 3pcg n ASN 87 Cb 0.64 -1.42 0.24 0.00 -0.61 0.00 0.00 39.78 38.62 3pcg n ASN 87 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3pcg h ALA 88 N 1.30 0.87 -3.30 5.41 0.00 -1.88 -3.45 119.26 118.22 3pcg h ALA 88 Ca -0.47 -0.35 -0.22 0.00 0.00 0.00 0.00 54.91 53.87 3pcg h ALA 88 Cb 1.33 -0.06 -0.30 0.00 0.00 0.00 0.00 17.79 18.77 3pcg h ALA 88 CO 0.55 0.48 -0.58 0.12 0.00 0.00 0.00 179.25 179.83 3pcg s PHE 89 N -3.34 -0.17 -0.03 0.00 5.36 -1.26 0.99 117.98 119.53 3pcg s PHE 89 Ca 0.02 0.46 0.06 0.00 -0.96 0.00 0.00 56.93 56.50 3pcg s PHE 89 Cb 0.09 -0.02 -0.01 0.00 -0.34 0.00 0.00 43.02 42.74 3pcg s PHE 89 CO 0.70 -0.13 -0.21 -0.80 -1.46 0.00 0.00 175.22 173.32 3pcg s ASN 90 N 0.75 2.50 0.41 6.13 0.01 0.10 -4.95 114.94 119.89 3pcg s ASN 90 Ca -0.06 -0.40 0.26 0.00 -0.71 0.00 0.00 52.86 51.96 3pcg s ASN 90 Cb -0.07 -0.51 0.76 0.00 0.41 0.00 0.00 41.25 41.84 3pcg s ASN 90 CO -0.04 0.22 1.75 0.28 -1.51 0.00 0.00 177.10 177.80 3pcg h SER 91 N 5.92 0.00 -3.90 -1.22 0.02 -1.78 -3.43 113.55 109.16 3pcg h SER 91 Ca -0.36 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 59.91 3pcg h SER 91 Cb 1.16 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.49 3pcg h SER 91 CO 0.48 0.00 -0.81 0.12 -1.14 0.00 0.00 176.83 175.48 3pcg s PHE 92 N -3.32 2.53 0.31 3.45 5.36 -1.26 -0.95 117.98 124.11 3pcg s PHE 92 Ca 0.06 -0.27 -0.16 0.00 -0.96 0.00 0.00 56.93 55.60 3pcg s PHE 92 Cb 0.08 -1.41 0.03 0.00 -0.34 0.00 0.00 43.02 41.37 3pcg s PHE 92 CO 0.60 0.29 0.68 0.20 -1.46 0.00 0.00 175.22 175.53 3pcg s GLY 93 N -1.68 0.31 0.02 13.12 0.00 -0.97 -4.81 107.32 113.30 3pcg s GLY 93 Ca 0.16 -0.66 0.01 0.00 0.00 0.00 0.00 44.72 44.23 3pcg s GLY 93 CO 0.07 -0.34 -0.04 0.50 0.00 0.00 0.00 173.10 173.29 3pcg s ARG 94 N -3.35 0.33 0.26 2.90 0.52 -0.59 -1.61 118.95 117.40 3pcg s ARG 94 Ca 0.16 -0.52 -0.11 0.00 -0.52 0.00 0.00 55.73 54.75 3pcg s ARG 94 Cb -0.04 -0.06 -0.01 0.00 0.52 0.00 0.00 34.95 35.37 3pcg s ARG 94 CO 0.10 -0.00 0.45 -0.08 0.02 0.00 0.00 175.30 175.79 3pcg s THR 95 N -1.10 0.00 0.17 0.02 -1.32 -0.49 -1.30 115.64 111.61 3pcg s THR 95 Ca -0.10 -1.48 -0.20 0.00 -1.21 0.00 0.00 61.69 58.70 3pcg s THR 95 Cb -0.08 -2.30 0.05 0.00 -1.51 0.00 0.00 72.50 68.66 3pcg s THR 95 CO -0.00 0.00 0.55 0.00 -2.21 0.00 0.00 174.62 172.95 3pcg s ALA 96 N -3.87 -1.31 -0.09 11.08 0.00 -1.26 -1.49 121.76 124.82 3pcg s ALA 96 Ca 0.25 0.19 -0.15 0.00 0.00 0.00 0.00 51.96 52.25 3pcg s ALA 96 Cb -0.00 0.83 -0.05 0.00 0.00 0.00 0.00 23.12 23.90 3pcg s ALA 96 CO 0.11 -0.76 0.38 0.95 0.00 0.00 0.00 175.76 176.43 3pcg s THR 97 N -3.79 5.18 0.27 0.00 -4.23 -0.98 -4.24 115.64 107.84 3pcg s THR 97 Ca 0.03 0.75 -0.30 0.00 -1.18 0.00 0.00 61.69 61.00 3pcg s THR 97 Cb -0.01 -3.70 -0.13 0.00 1.34 0.00 0.00 72.50 70.00 3pcg s THR 97 CO -0.10 0.45 1.32 0.35 -0.54 0.00 0.00 174.62 176.11 3pcg n THR 98 N 2.89 1.32 0.27 3.99 -2.24 -1.19 -4.46 114.28 114.86 3pcg n THR 98 Ca -0.12 -0.33 0.14 0.00 -2.27 0.00 0.00 64.05 61.48 3pcg n THR 98 Cb 0.52 -1.42 0.71 0.00 -2.10 0.00 0.00 70.33 68.04 3pcg n THR 98 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3pcg h PHE 99 N 3.52 0.00 0.00 4.78 0.04 -1.96 -1.75 116.94 121.57 3pcg h PHE 99 Ca -0.45 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.32 3pcg h PHE 99 Cb 1.29 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.44 3pcg h PHE 99 CO 0.54 0.10 0.00 -0.40 -0.60 0.00 0.00 178.31 177.95 3pcg n ASP 100 N -3.36 0.00 0.12 2.17 5.75 -1.26 -4.73 116.55 115.23 3pcg n ASP 100 Ca -0.01 0.00 0.02 0.00 -0.01 0.00 0.00 54.79 54.80 3pcg n ASP 100 Cb 0.29 0.00 0.39 0.00 -1.03 0.00 0.00 41.12 40.77 3pcg n ASP 100 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3pcg h ALA 101 N -2.00 1.51 -1.26 2.12 0.00 -1.98 -3.47 119.26 114.18 3pcg h ALA 101 Ca 0.00 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 3pcg h ALA 101 Cb 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.71 3pcg h ALA 101 CO 0.00 0.35 -0.14 0.41 0.00 0.00 0.00 179.25 179.87 3pcg n GLY 102 N -0.88 0.32 3.37 0.00 0.00 -0.66 -4.94 105.19 102.40 3pcg n GLY 102 Ca -0.01 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.11 3pcg n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pcg s GLU 103 N -4.64 1.99 0.29 1.61 2.12 -1.26 -4.34 118.70 114.46 3pcg s GLU 103 Ca 0.05 -1.01 0.08 0.00 0.36 0.00 0.00 54.97 54.46 3pcg s GLU 103 Cb -0.02 -2.07 -0.04 0.00 0.26 0.00 0.00 34.13 32.26 3pcg s GLU 103 CO 0.06 0.54 0.12 1.67 -0.54 0.00 0.00 175.26 177.11 3pcg s TRP 104 N -0.78 2.82 0.02 5.30 1.48 -0.26 -3.16 118.94 124.35 3pcg s TRP 104 Ca 0.12 -0.26 -0.09 0.00 -1.06 0.00 0.00 56.10 54.81 3pcg s TRP 104 Cb -0.10 -1.45 0.00 0.00 -1.16 0.00 0.00 33.47 30.76 3pcg s TRP 104 CO 0.02 0.46 0.18 0.95 -4.06 0.00 0.00 176.95 174.50 3pcg s THR 105 N -2.31 0.09 -0.01 0.66 -4.23 -1.26 -2.35 115.64 106.23 3pcg s THR 105 Ca 0.35 -0.78 -0.01 0.00 -1.18 0.00 0.00 61.69 60.07 3pcg s THR 105 Cb -0.05 -0.67 0.00 0.00 1.34 0.00 0.00 72.50 73.11 3pcg s THR 105 CO 0.23 -0.43 0.03 -0.22 -0.54 0.00 0.00 174.62 173.69 3pcg s LEU 106 N -1.71 1.87 -0.27 4.79 2.96 0.28 -4.83 118.68 121.78 3pcg s LEU 106 Ca -0.10 0.06 -0.03 0.00 -0.22 0.00 0.00 54.13 53.85 3pcg s LEU 106 Cb -0.04 0.12 0.03 0.00 0.50 0.00 0.00 46.19 46.80 3pcg s LEU 106 CO -0.01 -0.02 -0.02 -1.00 -1.32 0.00 0.00 176.35 173.99 3pcg s HIS 107 N 0.00 3.14 0.00 5.38 3.76 0.38 -1.14 115.29 126.81 3pcg s HIS 107 Ca -0.00 -1.54 0.00 0.00 -0.15 0.00 0.00 55.06 53.37 3pcg s HIS 107 Cb -0.00 -2.11 0.00 0.00 1.11 0.00 0.00 32.58 31.58 3pcg s HIS 107 CO 0.00 -0.72 0.00 -2.37 -0.85 0.00 0.00 174.74 170.80 3pcg n THR 108 N 4.69 0.00 -4.38 1.30 5.66 -0.98 -0.11 114.28 120.47 3pcg n THR 108 Ca -0.15 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.57 3pcg n THR 108 Cb 0.46 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.13 3pcg n THR 108 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 3pcg s VAL 109 N -2.48 2.56 0.05 1.08 -7.23 -1.26 -1.06 120.40 112.06 3pcg s VAL 109 Ca 0.00 -1.86 -0.31 0.00 -1.81 0.00 0.00 61.98 58.00 3pcg s VAL 109 Cb 0.00 -2.22 -0.07 0.00 0.56 0.00 0.00 36.38 34.65 3pcg s VAL 109 CO 0.00 -0.06 1.54 -0.75 -0.31 0.00 0.00 175.10 175.52 3pcg s LYS 110 N -2.56 4.24 0.53 4.82 2.20 -0.56 -4.91 119.74 123.49 3pcg s LYS 110 Ca 0.20 2.18 -0.20 0.00 -0.36 0.00 0.00 55.97 57.79 3pcg s LYS 110 Cb -0.09 -3.56 -0.06 0.00 -1.51 0.00 0.00 37.83 32.61 3pcg s LYS 110 CO 0.10 -0.66 1.12 -1.25 -0.36 0.00 0.00 175.35 174.31 3pcg s PRO 111 N 2.44 3.46 0.67 4.03 0.04 -1.26 -4.05 135.00 140.33 3pcg s PRO 111 Ca 0.69 1.59 -0.06 0.00 0.04 0.00 0.00 61.00 63.27 3pcg s PRO 111 Cb -0.37 -2.06 0.05 0.00 0.04 0.00 0.00 34.50 32.16 3pcg s PRO 111 CO 0.30 -0.76 0.98 0.20 0.04 0.00 0.00 177.00 177.76 3pcg s GLY 112 N -1.76 1.68 0.24 0.56 0.00 -0.13 -4.76 107.32 103.15 3pcg s GLY 112 Ca 0.71 -0.89 -0.30 0.00 0.00 0.00 0.00 44.72 44.24 3pcg s GLY 112 CO 0.27 -0.52 1.09 0.14 0.00 0.00 0.00 173.10 174.07 3pcg s VAL 113 N -3.17 3.67 0.06 1.40 1.01 -1.26 -4.42 120.40 117.69 3pcg s VAL 113 Ca 0.59 1.58 0.08 0.00 0.00 0.00 0.00 61.98 64.23 3pcg s VAL 113 Cb -0.11 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 3pcg s VAL 113 CO 0.44 0.34 -0.21 0.68 0.00 0.00 0.00 175.10 176.35 3pcg s VAL 114 N -0.83 1.72 0.05 2.92 -7.23 -1.25 -4.51 120.40 111.27 3pcg s VAL 114 Ca 0.46 -1.30 -0.15 0.00 -1.81 0.00 0.00 61.98 59.18 3pcg s VAL 114 Cb -0.31 -1.51 -0.06 0.00 0.56 0.00 0.00 36.38 35.06 3pcg s VAL 114 CO 0.38 0.16 0.47 0.20 -0.31 0.00 0.00 175.10 176.00 3pcg s ASN 115 N -1.36 6.86 1.13 4.85 0.01 -1.26 -0.21 114.94 124.96 3pcg s ASN 115 Ca 0.08 1.04 -0.18 0.00 -0.71 0.00 0.00 52.86 53.09 3pcg s ASN 115 Cb -0.09 -2.28 0.25 0.00 0.41 0.00 0.00 41.25 39.54 3pcg s ASN 115 CO 0.02 0.25 1.11 -0.46 -1.51 0.00 0.00 177.10 176.52 3pcg n ASN 116 N 1.50 -1.09 0.16 -1.22 6.94 0.84 -4.84 115.26 117.55 3pcg n ASN 116 Ca -0.11 -1.26 0.13 0.00 -0.02 0.00 0.00 54.58 53.31 3pcg n ASN 116 Cb 0.52 -0.94 0.66 0.00 -2.36 0.00 0.00 39.78 37.66 3pcg n ASN 116 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3pcg h ALA 117 N -2.30 2.18 -0.18 -2.53 0.00 -1.99 -1.40 119.26 113.04 3pcg h ALA 117 Ca -0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3pcg h ALA 117 Cb 1.14 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3pcg h ALA 117 CO 0.26 -0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.27 3pcg n ALA 118 N -2.58 2.51 -1.00 0.00 0.00 -1.26 -4.90 120.51 113.28 3pcg n ALA 118 Ca 0.02 -0.46 -0.00 0.00 0.00 0.00 0.00 53.44 53.00 3pcg n ALA 118 Cb 0.28 -1.08 -0.00 0.00 0.00 0.00 0.00 19.45 18.65 3pcg n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3pcg n GLY 119 N 1.03 0.40 3.80 0.00 0.00 -0.53 -5.04 105.19 104.86 3pcg n GLY 119 Ca 0.14 -0.91 -0.36 0.00 0.00 0.00 0.00 46.02 44.89 3pcg n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pcg s VAL 120 N -2.00 5.42 0.28 1.61 1.01 -1.26 -4.83 120.40 120.63 3pcg s VAL 120 Ca 0.00 0.28 -0.29 0.00 0.00 0.00 0.00 61.98 61.97 3pcg s VAL 120 Cb 0.00 -3.47 -0.10 0.00 0.00 0.00 0.00 36.38 32.81 3pcg s VAL 120 CO 0.00 0.52 1.22 -2.16 0.00 0.00 0.00 175.10 174.68 3pcg s PRO 121 N -0.33 4.48 0.06 2.72 0.04 -1.26 -0.12 135.00 140.60 3pcg s PRO 121 Ca 0.13 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.18 3pcg s PRO 121 Cb -0.12 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 3pcg s PRO 121 CO 0.02 -0.03 0.20 -1.64 0.04 0.00 0.00 177.00 175.59 3pcg s MET 122 N -1.32 3.40 0.63 4.56 -1.94 0.71 -4.34 119.30 120.98 3pcg s MET 122 Ca 0.48 -0.45 -0.15 0.00 -1.71 0.00 0.00 55.69 53.86 3pcg s MET 122 Cb -0.36 -3.02 -0.02 0.00 2.01 0.00 0.00 34.83 33.44 3pcg s MET 122 CO 0.45 0.61 1.08 0.00 -0.01 0.00 0.00 175.02 177.15 3pcg s ALA 123 N -1.49 2.62 0.08 3.03 0.00 -1.26 -3.95 121.76 120.79 3pcg s ALA 123 Ca 0.34 0.44 -0.36 0.00 0.00 0.00 0.00 51.96 52.38 3pcg s ALA 123 Cb -0.13 -3.26 -0.16 0.00 0.00 0.00 0.00 23.12 19.57 3pcg s ALA 123 CO 0.27 -1.02 1.41 -2.30 0.00 0.00 0.00 175.76 174.12 3pcg n PRO 124 N -2.24 1.35 -3.76 0.00 -0.02 -1.26 -4.86 135.00 124.21 3pcg n PRO 124 Ca 0.09 0.49 -0.10 0.00 -2.02 0.00 0.00 63.50 61.96 3pcg n PRO 124 Cb 0.52 -2.16 -0.05 0.00 -0.02 0.00 0.00 33.50 31.79 3pcg n PRO 124 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3pcg s HIS 125 N 0.76 -0.01 -0.11 6.00 -3.43 -1.26 -4.32 115.29 112.92 3pcg s HIS 125 Ca 0.84 -0.34 0.03 0.00 -0.80 0.00 0.00 55.06 54.79 3pcg s HIS 125 Cb -0.90 0.19 0.01 0.00 -1.43 0.00 0.00 32.58 30.44 3pcg s HIS 125 CO 0.46 -0.74 -0.19 0.42 -2.00 0.00 0.00 174.74 172.70 3pcg s ILE 126 N -3.86 1.72 -0.06 -5.38 1.01 -0.35 -4.65 121.20 109.63 3pcg s ILE 126 Ca 0.08 -0.79 -0.25 0.00 0.00 0.00 0.00 60.65 59.69 3pcg s ILE 126 Cb 0.02 -1.53 -0.03 0.00 0.01 0.00 0.00 42.46 40.93 3pcg s ILE 126 CO -0.07 0.48 0.76 0.20 0.00 0.00 0.00 174.94 176.31 3pcg s ASN 127 N 0.75 7.06 0.01 3.58 0.01 0.23 -1.00 114.94 125.58 3pcg s ASN 127 Ca -0.11 1.27 0.06 0.00 -0.71 0.00 0.00 52.86 53.38 3pcg s ASN 127 Cb -0.16 -2.44 -0.02 0.00 0.41 0.00 0.00 41.25 39.04 3pcg s ASN 127 CO 0.02 -0.16 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.64 3pcg s ILE 128 N 0.92 1.42 -0.11 0.60 1.01 -0.74 -0.80 121.20 123.50 3pcg s ILE 128 Ca 0.40 -0.92 -0.00 0.00 0.00 0.00 0.00 60.65 60.13 3pcg s ILE 128 Cb -0.18 -1.21 0.02 0.00 0.01 0.00 0.00 42.46 41.10 3pcg s ILE 128 CO 0.20 0.27 -0.08 -0.44 0.00 0.00 0.00 174.94 174.89 3pcg s SER 129 N -0.76 2.13 -0.21 3.58 0.01 -0.18 -0.13 113.70 118.13 3pcg s SER 129 Ca 0.06 -0.30 -0.09 0.00 1.31 0.00 0.00 55.95 56.93 3pcg s SER 129 Cb -0.08 -0.83 -0.04 0.00 0.21 0.00 0.00 66.02 65.28 3pcg s SER 129 CO 0.00 -0.11 0.11 -0.22 0.41 0.00 0.00 173.24 173.43 3pcg s LEU 130 N 1.63 3.98 0.07 2.44 2.96 0.73 -1.68 118.68 128.80 3pcg s LEU 130 Ca 0.03 0.11 0.05 0.00 -0.22 0.00 0.00 54.13 54.11 3pcg s LEU 130 Cb -0.13 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 3pcg s LEU 130 CO -0.07 0.13 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.58 3pcg s PHE 131 N 0.65 1.28 0.00 5.38 0.40 0.64 -1.65 117.98 124.69 3pcg s PHE 131 Ca 0.06 -0.43 0.00 0.00 -0.60 0.00 0.00 56.93 55.96 3pcg s PHE 131 Cb -0.13 -0.73 0.00 0.00 0.51 0.00 0.00 43.02 42.68 3pcg s PHE 131 CO 0.01 0.07 0.00 0.00 0.70 0.00 0.00 175.22 176.00 3pcg n ALA 132 N 1.42 0.00 -1.75 5.36 0.00 -1.26 -0.32 120.51 123.95 3pcg n ALA 132 Ca -0.20 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.85 3pcg n ALA 132 Cb 0.54 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.02 3pcg n ALA 132 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3pcg s ARG 133 N -2.00 3.28 0.00 0.00 1.70 -1.25 -1.70 118.95 118.98 3pcg s ARG 133 Ca 0.00 2.23 0.00 0.00 -0.47 0.00 0.00 55.73 57.49 3pcg s ARG 133 Cb 0.00 -2.34 0.00 0.00 -0.57 0.00 0.00 34.95 32.04 3pcg s ARG 133 CO 0.00 -1.07 0.00 0.41 -1.08 0.00 0.00 175.30 173.56 3pcg n GLY 134 N 0.68 2.77 3.32 3.88 0.00 -1.26 -4.95 105.19 109.63 3pcg n GLY 134 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3pcg n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3pcg s ILE 135 N -2.40 4.42 0.15 -0.61 1.01 -0.69 -4.97 121.20 118.12 3pcg s ILE 135 Ca 0.00 -1.13 -0.11 0.00 0.00 0.00 0.00 60.65 59.40 3pcg s ILE 135 Cb 0.00 -3.59 0.01 0.00 0.01 0.00 0.00 42.46 38.88 3pcg s ILE 135 CO 0.00 -0.38 1.56 0.78 0.00 0.00 0.00 174.94 176.90 3pcg h ASN 136 N 8.44 0.93 -3.71 3.58 2.35 -1.91 -3.35 115.58 121.91 3pcg h ASN 136 Ca -0.24 -0.36 -0.35 0.00 -0.55 0.00 0.00 56.30 54.79 3pcg h ASN 136 Cb 1.09 -0.26 -0.31 0.00 0.05 0.00 0.00 38.32 38.90 3pcg h ASN 136 CO 0.72 1.08 -0.76 -0.51 -1.65 0.00 0.00 177.43 176.31 3pcg s ILE 137 N -4.80 0.40 0.65 2.81 2.07 -1.26 -3.30 121.20 117.76 3pcg s ILE 137 Ca -0.12 -0.14 -0.18 0.00 -1.41 0.00 0.00 60.65 58.80 3pcg s ILE 137 Cb 0.12 -0.39 -0.01 0.00 0.13 0.00 0.00 42.46 42.31 3pcg s ILE 137 CO 0.85 0.15 1.28 -1.38 -1.91 0.00 0.00 174.94 173.93 3pcg s HIS 138 N 0.36 2.09 -0.17 3.50 -3.43 -1.26 -5.00 115.29 111.39 3pcg s HIS 138 Ca -0.04 1.49 -0.12 0.00 -0.80 0.00 0.00 55.06 55.59 3pcg s HIS 138 Cb -0.08 -3.67 -0.05 0.00 -1.43 0.00 0.00 32.58 27.35 3pcg s HIS 138 CO -0.00 -2.87 0.22 -0.51 -2.00 0.00 0.00 174.74 169.58 3pcg s LEU 139 N -4.39 4.24 -0.14 5.38 1.43 -0.66 -4.91 118.68 119.64 3pcg s LEU 139 Ca 0.82 0.40 -0.07 0.00 -1.03 0.00 0.00 54.13 54.24 3pcg s LEU 139 Cb -0.37 -2.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.57 3pcg s LEU 139 CO 0.39 0.16 0.11 -1.00 0.23 0.00 0.00 176.35 176.24 3pcg s HIS 140 N 0.30 3.46 0.28 0.29 3.76 -1.26 -0.19 115.29 121.94 3pcg s HIS 140 Ca 0.13 0.39 0.00 0.00 -0.15 0.00 0.00 55.06 55.43 3pcg s HIS 140 Cb -0.12 -1.99 0.00 0.00 1.11 0.00 0.00 32.58 31.58 3pcg s HIS 140 CO 0.02 0.53 0.36 -2.37 -0.85 0.00 0.00 174.74 172.43 3pcg n THR 141 N 2.54 0.00 -3.84 1.30 5.66 0.82 -0.75 114.28 120.01 3pcg n THR 141 Ca -0.18 -1.54 -0.12 0.00 -3.05 0.00 0.00 64.05 59.15 3pcg n THR 141 Cb 0.54 0.91 -0.12 0.00 -1.55 0.00 0.00 70.33 70.10 3pcg n THR 141 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 3pcg s ARG 142 N -2.73 0.19 -0.22 1.09 0.52 -1.26 -1.80 118.95 114.74 3pcg s ARG 142 Ca 0.25 0.09 -0.05 0.00 -0.52 0.00 0.00 55.73 55.50 3pcg s ARG 142 Cb -0.00 0.09 -0.02 0.00 0.52 0.00 0.00 34.95 35.53 3pcg s ARG 142 CO 0.18 -0.03 0.01 -1.17 0.02 0.00 0.00 175.30 174.31 3pcg s LEU 143 N -0.13 3.24 0.40 2.53 0.20 -0.17 -4.74 118.68 120.01 3pcg s LEU 143 Ca -0.02 -0.24 0.08 0.00 0.69 0.00 0.00 54.13 54.63 3pcg s LEU 143 Cb -0.02 -1.84 -0.05 0.00 -0.43 0.00 0.00 46.19 43.86 3pcg s LEU 143 CO 0.00 0.02 0.20 -0.31 -0.29 0.00 0.00 176.35 175.97 3pcg s TYR 144 N 1.28 2.64 -0.05 5.38 1.51 0.16 -1.21 117.35 127.06 3pcg s TYR 144 Ca 0.04 -0.52 0.05 0.00 -1.01 0.00 0.00 57.07 55.62 3pcg s TYR 144 Cb -0.15 -1.91 -0.02 0.00 -0.11 0.00 0.00 41.96 39.77 3pcg s TYR 144 CO 0.01 0.18 -0.17 -0.06 -1.11 0.00 0.00 175.55 174.40 3pcg s PHE 145 N -2.54 2.61 0.33 2.71 0.40 -1.26 0.18 117.98 120.40 3pcg s PHE 145 Ca 0.41 -0.27 0.38 0.00 -0.60 0.00 0.00 56.93 56.85 3pcg s PHE 145 Cb 0.01 -1.61 1.83 0.00 0.51 0.00 0.00 43.02 43.77 3pcg s PHE 145 CO 0.23 0.10 2.14 0.38 0.70 0.00 0.00 175.22 178.77 3pcg h ASP 146 N 5.47 0.00 -0.39 1.36 2.03 -1.57 -2.54 116.42 120.77 3pcg h ASP 146 Ca -0.44 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 3pcg h ASP 146 Cb 1.15 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.65 3pcg h ASP 146 CO 0.50 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.81 3pcg n ASP 147 N -3.03 2.71 -1.75 4.15 5.68 -1.26 -3.89 116.55 119.15 3pcg n ASP 147 Ca -0.01 -2.17 -0.10 0.00 -0.50 0.00 0.00 54.79 52.01 3pcg n ASP 147 Cb 0.19 -0.38 0.07 0.00 -1.14 0.00 0.00 41.12 39.86 3pcg n ASP 147 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3pcg n GLU 148 N 0.61 2.50 -0.23 0.11 -0.58 -0.96 -4.87 120.64 117.23 3pcg n GLU 148 Ca 0.15 -3.67 0.01 0.00 -0.42 0.00 0.00 57.16 53.23 3pcg n GLU 148 Cb 0.49 -1.82 0.09 0.00 -0.57 0.00 0.00 31.44 29.63 3pcg n GLU 148 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3pcg h ALA 149 N 1.85 0.51 -0.36 0.62 0.00 -1.76 0.34 119.26 120.46 3pcg h ALA 149 Ca 0.14 0.25 0.02 0.00 0.00 0.00 0.00 54.91 55.33 3pcg h ALA 149 Cb 1.39 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 19.64 3pcg h ALA 149 CO 0.42 -0.42 0.19 1.96 0.00 0.00 0.00 179.25 181.40 3pcg h GLN 150 N 0.02 0.38 -0.24 0.00 4.20 -1.94 -1.29 115.11 116.25 3pcg h GLN 150 Ca 0.34 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.95 3pcg h GLN 150 Cb 0.53 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 3pcg h GLN 150 CO -0.68 0.25 -0.14 0.00 -0.67 0.00 0.00 178.83 177.59 3pcg h ALA 151 N 1.18 0.34 -0.79 3.87 0.00 -1.62 -3.16 119.26 119.07 3pcg h ALA 151 Ca 0.15 -0.32 0.09 0.00 0.00 0.00 0.00 54.91 54.83 3pcg h ALA 151 Cb 0.04 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.68 3pcg h ALA 151 CO -0.09 0.23 0.45 -0.91 0.00 0.00 0.00 179.25 178.92 3pcg h ASN 152 N 0.24 0.64 -0.46 0.00 2.35 -0.21 -0.89 115.58 117.25 3pcg h ASN 152 Ca 0.05 0.05 0.13 0.00 -0.55 0.00 0.00 56.30 55.97 3pcg h ASN 152 Cb 0.66 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 3pcg h ASN 152 CO 0.04 0.37 0.33 0.00 -1.65 0.00 0.00 177.43 176.52 3pcg h ALA 153 N 1.44 2.37 -0.32 -0.83 0.00 -1.20 -1.88 119.26 118.83 3pcg h ALA 153 Ca 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3pcg h ALA 153 Cb 0.34 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3pcg h ALA 153 CO -0.24 -0.50 0.00 1.63 0.00 0.00 0.00 179.25 180.14 3pcg n LYS 154 N -4.41 2.38 -1.97 0.00 5.02 -0.41 -4.94 118.16 113.83 3pcg n LYS 154 Ca 0.08 -1.96 -0.42 0.00 -2.02 0.00 0.00 58.31 53.99 3pcg n LYS 154 Cb 0.51 -1.31 -0.03 0.00 -0.02 0.00 0.00 35.03 34.18 3pcg n LYS 154 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3pcg h PRO 156 N 9.62 0.25 0.01 0.00 0.13 -1.90 -0.79 132.00 139.31 3pcg h PRO 156 Ca -0.40 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 64.65 3pcg h PRO 156 Cb 1.18 -0.06 0.01 0.00 0.13 0.00 0.00 31.00 32.26 3pcg h PRO 156 CO 0.95 0.16 -0.25 0.28 -0.23 0.00 0.00 178.00 178.91 3pcg h VAL 157 N 0.26 1.57 -0.81 1.56 2.07 -1.93 -3.17 116.25 115.79 3pcg h VAL 157 Ca 0.15 -2.01 0.01 0.00 0.82 0.00 0.00 66.70 65.67 3pcg h VAL 157 Cb 0.26 2.85 -0.04 0.00 -1.52 0.00 0.00 31.29 32.84 3pcg h VAL 157 CO -0.03 0.55 0.54 0.25 0.02 0.00 0.00 177.57 178.89 3pcg h LEU 158 N -0.54 0.92 -0.87 2.57 5.85 -1.83 -0.43 115.31 120.97 3pcg h LEU 158 Ca -0.03 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3pcg h LEU 158 Cb 1.03 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.84 3pcg h LEU 158 CO 0.05 0.66 0.00 0.59 -0.34 0.00 0.00 178.44 179.40 3pcg n ASN 159 N -4.42 0.61 0.17 1.25 3.02 -0.33 -2.02 115.26 113.54 3pcg n ASN 159 Ca 0.09 0.68 0.13 0.00 -0.03 0.00 0.00 54.58 55.45 3pcg n ASN 159 Cb 0.04 -0.80 0.31 0.00 -0.61 0.00 0.00 39.78 38.72 3pcg n ASN 159 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3pcg h LEU 160 N 0.00 0.00 -8.61 3.41 3.38 -1.04 -3.42 115.31 109.04 3pcg h LEU 160 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 3pcg h LEU 160 Cb 0.26 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.94 3pcg h LEU 160 CO 0.00 0.00 1.04 -0.63 0.09 0.00 0.00 178.44 178.94 3pcg s ILE 161 N -3.18 3.91 0.23 1.22 1.01 -0.85 -4.90 121.20 118.63 3pcg s ILE 161 Ca 0.08 0.81 -0.17 0.00 0.00 0.00 0.00 60.65 61.38 3pcg s ILE 161 Cb 0.09 -4.54 0.26 0.00 0.01 0.00 0.00 42.46 38.28 3pcg s ILE 161 CO 0.62 -1.19 1.55 -0.33 0.00 0.00 0.00 174.94 175.59 3pcg h GLU 162 N 10.34 -0.01 -4.88 2.79 5.08 -1.87 -3.39 114.58 122.65 3pcg h GLU 162 Ca -0.26 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.43 3pcg h GLU 162 Cb 1.08 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.15 3pcg h GLU 162 CO 1.17 -0.00 -0.30 -0.65 -1.00 0.00 0.00 179.01 178.22 3pcg s GLN 163 N -5.99 3.42 0.35 2.33 -1.52 -1.26 -4.98 119.66 112.02 3pcg s GLN 163 Ca -0.14 -0.55 0.16 0.00 -1.95 0.00 0.00 55.36 52.88 3pcg s GLN 163 Cb 0.21 -3.85 1.10 0.00 -0.22 0.00 0.00 33.01 30.25 3pcg s GLN 163 CO 0.72 -0.60 1.68 -1.35 -0.25 0.00 0.00 175.29 175.49 3pcg h PRO 164 N 8.53 0.33 0.00 2.91 0.10 -1.97 0.21 132.00 142.11 3pcg h PRO 164 Ca -0.29 -0.02 -0.02 0.00 0.10 0.00 0.00 66.00 65.77 3pcg h PRO 164 Cb 1.14 -0.07 -0.00 0.00 0.10 0.00 0.00 31.00 32.16 3pcg h PRO 164 CO 0.71 0.22 -0.09 1.96 0.10 0.00 0.00 178.00 180.90 3pcg h GLN 165 N 0.34 0.00 0.00 1.05 7.50 -1.95 -2.46 115.11 119.59 3pcg h GLN 165 Ca 0.72 0.00 -0.17 0.00 0.50 0.00 0.00 58.65 59.71 3pcg h GLN 165 Cb 1.69 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 29.19 3pcg h GLN 165 CO -0.55 0.09 -0.79 0.00 -1.50 0.00 0.00 178.83 176.08 3pcg h ARG 166 N 0.00 0.00 -0.18 1.46 3.08 -0.96 -3.24 114.38 114.53 3pcg h ARG 166 Ca -0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 3pcg h ARG 166 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3pcg h ARG 166 CO 0.01 0.79 -0.10 0.00 -1.07 0.00 0.00 179.97 179.60 3pcg h ARG 167 N 0.00 0.28 0.00 0.04 3.08 -1.39 -2.58 114.38 113.81 3pcg h ARG 167 Ca -0.01 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 3pcg h ARG 167 Cb 1.47 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.48 3pcg h ARG 167 CO 0.10 0.39 -0.07 0.93 -1.07 0.00 0.00 179.97 180.25 3pcg h GLU 168 N 0.27 0.00 0.00 0.04 5.08 -1.61 -2.18 114.58 116.18 3pcg h GLU 168 Ca 0.06 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3pcg h GLU 168 Cb 0.34 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 3pcg h GLU 168 CO 0.02 0.07 -0.07 1.79 -1.00 0.00 0.00 179.01 179.82 3pcg h THR 169 N 0.00 0.44 -0.07 1.13 1.35 -1.63 -2.37 112.91 111.76 3pcg h THR 169 Ca -0.00 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 3pcg h THR 169 Cb 0.39 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 3pcg h THR 169 CO 0.01 0.07 0.00 0.18 -0.25 0.00 0.00 175.52 175.53 3pcg n LEU 170 N -3.57 2.21 -4.56 3.87 4.77 -0.82 -4.81 117.00 114.08 3pcg n LEU 170 Ca -0.02 -0.78 -0.39 0.00 -0.03 0.00 0.00 56.01 54.78 3pcg n LEU 170 Cb 0.18 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.14 3pcg n LEU 170 CO 0.28 0.39 -0.09 -0.63 -1.33 0.00 0.00 177.39 176.01 3pcg s ILE 171 N -1.93 5.26 0.31 -0.08 1.01 -0.89 -0.66 121.20 124.22 3pcg s ILE 171 Ca 0.34 0.06 -0.27 0.00 0.00 0.00 0.00 60.65 60.78 3pcg s ILE 171 Cb 0.20 -3.66 -0.09 0.00 0.01 0.00 0.00 42.46 38.92 3pcg s ILE 171 CO 0.31 0.09 1.00 0.00 0.00 0.00 0.00 174.94 176.34 3pcg s ALA 172 N 1.83 3.25 -0.32 9.38 0.00 0.13 -4.84 121.76 131.19 3pcg s ALA 172 Ca 0.08 0.66 -0.16 0.00 0.00 0.00 0.00 51.96 52.55 3pcg s ALA 172 Cb -0.17 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 3pcg s ALA 172 CO 0.11 0.03 0.40 0.15 0.00 0.00 0.00 175.76 176.45 3pcg s LYS 173 N -1.85 3.73 0.27 0.00 1.02 -0.56 -1.44 119.74 120.92 3pcg s LYS 173 Ca 0.49 -0.20 -0.29 0.00 0.02 0.00 0.00 55.97 55.98 3pcg s LYS 173 Cb -0.24 -3.75 -0.10 0.00 -0.52 0.00 0.00 37.83 33.22 3pcg s LYS 173 CO 0.30 -0.46 1.36 0.50 -0.92 0.00 0.00 175.35 176.12 3pcg s ARG 174 N 2.12 4.33 0.00 1.68 3.52 -1.26 -0.90 118.95 128.44 3pcg s ARG 174 Ca 0.14 2.21 0.00 0.00 -0.13 0.00 0.00 55.73 57.95 3pcg s ARG 174 Cb -0.16 -3.11 0.00 0.00 -1.56 0.00 0.00 34.95 30.12 3pcg s ARG 174 CO 0.11 -0.28 0.00 0.00 -0.81 0.00 0.00 175.30 174.32 3pcg s GLU 176 N -1.05 0.14 -0.19 0.00 2.12 -1.26 -1.53 118.70 116.94 3pcg s GLU 176 Ca 0.00 -0.10 -0.01 0.00 0.36 0.00 0.00 54.97 55.23 3pcg s GLU 176 Cb 0.00 -0.12 0.05 0.00 0.26 0.00 0.00 34.13 34.32 3pcg s GLU 176 CO 0.00 0.03 -0.02 0.08 -0.54 0.00 0.00 175.26 174.81 3pcg s VAL 177 N -0.13 1.01 -1.29 3.70 1.01 0.34 -4.75 120.40 120.29 3pcg s VAL 177 Ca -0.00 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.25 3pcg s VAL 177 Cb -0.01 -1.31 -0.00 0.00 0.00 0.00 0.00 36.38 35.06 3pcg s VAL 177 CO -0.00 -0.02 0.73 0.47 0.00 0.00 0.00 175.10 176.28 3pcg n ASP 178 N 4.89 -1.31 -0.58 3.32 8.00 -1.26 -0.71 116.55 128.89 3pcg n ASP 178 Ca -0.11 -0.80 -0.08 0.00 0.71 0.00 0.00 54.79 54.52 3pcg n ASP 178 Cb 0.47 -4.18 -0.03 0.00 -0.02 0.00 0.00 41.12 37.35 3pcg n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3pcg n GLY 179 N -1.52 0.83 3.61 0.44 0.00 -1.26 -4.99 105.19 102.30 3pcg n GLY 179 Ca -0.30 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 3pcg n GLY 179 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3pcg s LYS 180 N -2.40 2.39 -0.08 1.61 2.20 0.11 -5.07 119.74 118.50 3pcg s LYS 180 Ca 0.00 -0.86 -0.30 0.00 -0.36 0.00 0.00 55.97 54.45 3pcg s LYS 180 Cb 0.00 -2.43 -0.04 0.00 -1.51 0.00 0.00 37.83 33.84 3pcg s LYS 180 CO 0.00 0.55 1.49 0.99 -0.36 0.00 0.00 175.35 178.02 3pcg s THR 181 N -1.14 3.83 0.11 3.43 2.01 -1.26 0.13 115.64 122.74 3pcg s THR 181 Ca 0.21 1.04 0.05 0.00 0.31 0.00 0.00 61.69 63.29 3pcg s THR 181 Cb -0.11 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 3pcg s THR 181 CO 0.12 -0.08 -0.12 0.00 -0.69 0.00 0.00 174.62 173.85 3pcg s ALA 182 N 3.59 1.34 -0.05 7.40 0.00 -0.58 -0.75 121.76 132.72 3pcg s ALA 182 Ca 0.66 -1.27 0.02 0.00 0.00 0.00 0.00 51.96 51.36 3pcg s ALA 182 Cb -0.29 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 22.82 3pcg s ALA 182 CO 0.24 0.03 -0.07 0.71 0.00 0.00 0.00 175.76 176.67 3pcg s TYR 183 N -2.36 1.00 -0.21 0.00 1.51 -0.31 0.05 117.35 117.04 3pcg s TYR 183 Ca 0.08 -0.32 -0.12 0.00 -1.01 0.00 0.00 57.07 55.70 3pcg s TYR 183 Cb -0.03 -0.80 -0.05 0.00 -0.11 0.00 0.00 41.96 40.97 3pcg s TYR 183 CO 0.02 -0.21 0.21 0.50 -1.11 0.00 0.00 175.55 174.95 3pcg s ARG 184 N 0.79 4.16 -0.31 -0.62 3.52 -0.08 -1.55 118.95 124.85 3pcg s ARG 184 Ca -0.13 -0.12 -0.01 0.00 -0.13 0.00 0.00 55.73 55.34 3pcg s ARG 184 Cb -0.15 -3.48 0.10 0.00 -1.56 0.00 0.00 34.95 29.87 3pcg s ARG 184 CO 0.02 0.16 0.12 0.12 -0.81 0.00 0.00 175.30 174.90 3pcg s PHE 185 N 0.76 1.30 0.06 5.12 5.36 0.10 -1.50 117.98 129.18 3pcg s PHE 185 Ca 0.11 -1.53 -0.14 0.00 -0.96 0.00 0.00 56.93 54.41 3pcg s PHE 185 Cb -0.13 -1.47 -0.06 0.00 -0.34 0.00 0.00 43.02 41.02 3pcg s PHE 185 CO 0.03 -0.86 0.45 -0.51 -1.46 0.00 0.00 175.22 172.87 3pcg s ASP 186 N 1.66 6.79 -0.11 6.13 1.01 -1.26 -3.94 116.67 126.95 3pcg s ASP 186 Ca 0.10 0.97 0.02 0.00 0.71 0.00 0.00 52.55 54.35 3pcg s ASP 186 Cb -0.18 -2.25 -0.01 0.00 1.01 0.00 0.00 42.92 41.49 3pcg s ASP 186 CO -0.26 0.23 -0.16 -0.63 0.21 0.00 0.00 175.17 174.56 3pcg s ILE 187 N -1.25 2.79 -0.29 0.77 1.01 -0.10 -4.95 121.20 119.17 3pcg s ILE 187 Ca 0.30 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 60.20 3pcg s ILE 187 Cb -0.16 -2.14 0.07 0.00 0.01 0.00 0.00 42.46 40.25 3pcg s ILE 187 CO 0.16 0.54 -0.04 -0.13 0.00 0.00 0.00 174.94 175.48 3pcg s ARG 188 N 0.19 2.08 0.29 2.79 0.52 -1.26 -0.80 118.95 122.75 3pcg s ARG 188 Ca -0.10 -1.49 0.00 0.00 -0.52 0.00 0.00 55.73 53.63 3pcg s ARG 188 Cb -0.16 -3.05 0.42 0.00 0.52 0.00 0.00 34.95 32.69 3pcg s ARG 188 CO 0.06 -0.69 1.79 0.82 0.02 0.00 0.00 175.30 177.29 3pcg h ILE 189 N 6.66 1.23 -2.94 1.52 2.04 -1.44 0.17 117.51 124.75 3pcg h ILE 189 Ca -0.15 -0.97 -0.12 0.00 1.00 0.00 0.00 64.86 64.61 3pcg h ILE 189 Cb 1.04 0.95 -0.22 0.00 -0.74 0.00 0.00 36.82 37.85 3pcg h ILE 189 CO 0.50 0.33 -0.28 -1.58 0.00 0.00 0.00 178.15 177.12 3pcg s GLN 190 N -4.92 0.56 0.62 2.37 0.74 -1.26 -4.75 119.66 113.01 3pcg s GLN 190 Ca -0.09 0.12 0.00 0.00 0.05 0.00 0.00 55.36 55.45 3pcg s GLN 190 Cb 0.15 0.26 0.00 0.00 1.10 0.00 0.00 33.01 34.52 3pcg s GLN 190 CO 0.79 -0.13 0.00 0.41 -0.55 0.00 0.00 175.29 175.82 3pcg n GLY 191 N 1.99 -1.13 3.64 2.59 0.00 -1.26 -4.04 105.19 106.98 3pcg n GLY 191 Ca -0.18 -1.75 -0.51 0.00 0.00 0.00 0.00 46.02 43.58 3pcg n GLY 191 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3pcg n GLU 192 N 0.00 1.47 -1.35 1.61 2.13 -1.26 -0.26 120.64 122.99 3pcg n GLU 192 Ca 0.00 0.53 -0.12 0.00 0.66 0.00 0.00 57.16 58.24 3pcg n GLU 192 Cb 0.00 -2.23 -0.05 0.00 0.27 0.00 0.00 31.44 29.43 3pcg n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3pcg n GLY 193 N 3.17 1.27 3.63 8.31 0.00 -1.26 -4.94 105.19 115.37 3pcg n GLY 193 Ca 0.20 -0.49 -0.52 0.00 0.00 0.00 0.00 46.02 45.21 3pcg n GLY 193 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3pcg n GLU 194 N -2.66 1.32 -2.15 1.61 2.13 0.65 -4.64 120.64 116.89 3pcg n GLU 194 Ca -0.12 0.48 -0.40 0.00 0.66 0.00 0.00 57.16 57.77 3pcg n GLU 194 Cb 0.38 -2.15 -0.02 0.00 0.27 0.00 0.00 31.44 29.92 3pcg n GLU 194 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3pcg s THR 195 N 1.31 2.80 0.27 6.31 2.01 0.58 -4.96 115.64 123.96 3pcg s THR 195 Ca 0.87 0.80 -0.29 0.00 0.31 0.00 0.00 61.69 63.37 3pcg s THR 195 Cb -0.93 -3.50 -0.10 0.00 0.01 0.00 0.00 72.50 67.98 3pcg s THR 195 CO 0.50 0.18 1.27 -0.69 -0.69 0.00 0.00 174.62 175.20 3pcg s VAL 196 N -1.16 3.05 0.04 3.82 1.01 -1.26 -4.93 120.40 120.97 3pcg s VAL 196 Ca 0.49 0.97 0.07 0.00 0.00 0.00 0.00 61.98 63.51 3pcg s VAL 196 Cb -0.39 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 3pcg s VAL 196 CO 0.51 0.19 -0.20 -0.36 0.00 0.00 0.00 175.10 175.25 3pcg s PHE 197 N -0.60 1.75 0.26 5.22 0.08 -1.26 -4.68 117.98 118.75 3pcg s PHE 197 Ca 0.52 -0.37 0.08 0.00 0.12 0.00 0.00 56.93 57.27 3pcg s PHE 197 Cb -0.37 -1.05 -0.04 0.00 -0.57 0.00 0.00 43.02 41.00 3pcg s PHE 197 CO 0.45 0.08 0.12 -0.06 -0.10 0.00 0.00 175.22 175.71 3pcg s PHE 198 N -0.80 2.94 -0.05 0.36 0.08 0.07 -4.99 117.98 115.59 3pcg s PHE 198 Ca 0.07 -0.16 0.03 0.00 0.12 0.00 0.00 56.93 56.99 3pcg s PHE 198 Cb -0.09 -1.33 0.01 0.00 -0.57 0.00 0.00 43.02 41.04 3pcg s PHE 198 CO 0.02 0.55 -0.13 0.34 -0.10 0.00 0.00 175.22 175.90 3pcg s ASP 199 N -3.78 1.75 0.00 1.36 2.15 -1.26 -4.30 116.67 112.59 3pcg s ASP 199 Ca 0.32 -0.29 0.00 0.00 0.43 0.00 0.00 52.55 53.02 3pcg s ASP 199 Cb -0.07 -0.66 0.00 0.00 -0.30 0.00 0.00 42.92 41.89 3pcg s ASP 199 CO 0.23 0.07 0.00 2.22 -0.17 0.00 0.00 175.17 177.52