#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pd5 n GLY 7 N 0.00 -0.91 3.38 3.38 0.00 -1.26 -4.94 105.19 104.85 1pd5 n GLY 7 Ca 0.00 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.32 1pd5 n GLY 7 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1pd5 s TYR 8 N -2.28 0.56 -0.07 1.61 -0.85 -1.26 -2.52 117.35 112.54 1pd5 s TYR 8 Ca 0.66 -0.89 -0.03 0.00 -0.52 0.00 0.00 57.07 56.29 1pd5 s TYR 8 Cb -0.26 -0.10 0.04 0.00 0.38 0.00 0.00 41.96 42.02 1pd5 s TYR 8 CO 0.58 -0.78 0.14 0.95 -1.52 0.00 0.00 175.55 174.93 1pd5 s THR 9 N -4.02 -0.08 0.18 -3.49 -4.23 -0.17 -4.87 115.64 98.96 1pd5 s THR 9 Ca 0.23 0.21 -0.31 0.00 -1.18 0.00 0.00 61.69 60.64 1pd5 s THR 9 Cb 0.03 -0.24 -0.10 0.00 1.34 0.00 0.00 72.50 73.53 1pd5 s THR 9 CO 0.05 0.09 1.56 -0.89 -0.54 0.00 0.00 174.62 174.89 1pd5 s THR 10 N 1.35 2.59 -0.03 3.99 2.01 -1.26 -1.22 115.64 123.08 1pd5 s THR 10 Ca -0.07 0.44 -0.30 0.00 0.31 0.00 0.00 61.69 62.07 1pd5 s THR 10 Cb -0.12 -3.28 -0.06 0.00 0.01 0.00 0.00 72.50 69.05 1pd5 s THR 10 CO -0.06 0.04 1.69 -0.69 -0.69 0.00 0.00 174.62 174.91 1pd5 s VAL 11 N 0.99 3.46 -1.07 3.82 1.01 0.13 -4.88 120.40 123.86 1pd5 s VAL 11 Ca 0.69 0.60 -0.23 0.00 0.00 0.00 0.00 61.98 63.04 1pd5 s VAL 11 Cb -0.44 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 1pd5 s VAL 11 CO 0.33 -0.05 1.87 -0.62 0.00 0.00 0.00 175.10 176.63 1pd5 s ASP 12 N 3.38 5.40 0.44 3.32 3.68 -1.26 -4.77 116.67 126.86 1pd5 s ASP 12 Ca 0.75 -1.33 0.15 0.00 2.13 0.00 0.00 52.55 54.25 1pd5 s ASP 12 Cb -0.35 -2.57 1.05 0.00 -1.45 0.00 0.00 42.92 39.60 1pd5 s ASP 12 CO 0.31 -2.60 1.96 0.40 0.13 0.00 0.00 175.17 175.38 1pd5 h ILE 13 N 6.61 0.86 -0.70 4.11 2.04 -1.93 -2.50 117.51 126.00 1pd5 h ILE 13 Ca 0.19 -0.13 0.12 0.00 1.00 0.00 0.00 64.86 66.03 1pd5 h ILE 13 Cb 0.96 0.44 -0.08 0.00 -0.74 0.00 0.00 36.82 37.40 1pd5 h ILE 13 CO 1.26 0.07 0.28 0.77 0.00 0.00 0.00 178.15 180.54 1pd5 h SER 14 N 0.39 0.29 -0.71 1.72 4.64 -2.03 -2.84 113.55 115.01 1pd5 h SER 14 Ca 0.30 0.09 -0.36 0.00 -0.47 0.00 0.00 61.79 61.34 1pd5 h SER 14 Cb 0.65 0.06 -0.22 0.00 -0.31 0.00 0.00 62.40 62.58 1pd5 h SER 14 CO -0.08 0.15 0.33 0.00 -0.87 0.00 0.00 176.83 176.35 1pd5 n GLN 15 N -4.97 2.13 -3.83 4.77 3.00 -0.95 -4.99 117.38 112.54 1pd5 n GLN 15 Ca 0.12 -3.09 -0.36 0.00 -0.01 0.00 0.00 57.00 53.66 1pd5 n GLN 15 Cb 0.34 -2.03 -0.11 0.00 0.00 0.00 0.00 30.24 28.44 1pd5 n GLN 15 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.06 176.60 1pd5 s TRP 16 N -3.27 3.16 0.17 1.08 -0.00 -1.07 -4.95 118.94 114.06 1pd5 s TRP 16 Ca 0.52 -0.17 0.25 0.00 -0.00 0.00 0.00 56.10 56.69 1pd5 s TRP 16 Cb 0.45 -2.20 1.36 0.00 -0.00 0.00 0.00 33.47 33.07 1pd5 s TRP 16 CO 0.06 -0.16 1.74 0.45 -0.00 0.00 0.00 176.95 179.04 1pd5 h HIS 17 N 7.73 0.00 -0.02 5.86 3.86 -1.93 -1.74 115.15 128.91 1pd5 h HIS 17 Ca -0.37 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.84 1pd5 h HIS 17 Cb 1.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.65 1pd5 h HIS 17 CO 0.65 0.00 -0.13 0.54 0.86 0.00 0.00 177.93 179.85 1pd5 n ARG 18 N -2.46 1.44 -0.25 2.45 1.74 -1.26 -4.61 116.66 113.71 1pd5 n ARG 18 Ca -0.02 -1.19 0.10 0.00 -0.77 0.00 0.00 57.85 55.98 1pd5 n ARG 18 Cb 0.18 -1.28 0.20 0.00 -1.02 0.00 0.00 32.46 30.54 1pd5 n ARG 18 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1pd5 n LYS 19 N 0.48 -0.06 -0.07 5.56 2.85 -0.66 0.52 118.16 126.79 1pd5 n LYS 19 Ca 0.08 1.08 -0.01 0.00 -1.05 0.00 0.00 58.31 58.41 1pd5 n LYS 19 Cb 0.37 -1.71 0.26 0.00 -0.65 0.00 0.00 35.03 33.30 1pd5 n LYS 19 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 1pd5 h GLU 20 N 0.00 0.68 0.04 -1.58 4.81 -1.84 -3.06 114.58 113.63 1pd5 h GLU 20 Ca 0.43 -0.13 -0.22 0.00 -0.13 0.00 0.00 59.36 59.31 1pd5 h GLU 20 Cb 0.87 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 1pd5 h GLU 20 CO -0.68 0.62 -1.00 0.45 -0.73 0.00 0.00 179.01 177.67 1pd5 h HIS 21 N 0.66 0.38 -0.61 0.92 3.86 -0.26 -2.88 115.15 117.22 1pd5 h HIS 21 Ca 0.15 -0.23 -0.03 0.00 -1.16 0.00 0.00 60.37 59.10 1pd5 h HIS 21 Cb 0.26 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.67 1pd5 h HIS 21 CO 0.01 1.09 0.25 0.35 0.86 0.00 0.00 177.93 180.50 1pd5 h PHE 22 N 0.11 0.88 -0.11 2.45 3.04 -1.31 0.11 116.94 122.11 1pd5 h PHE 22 Ca -0.07 -0.04 -0.12 0.00 3.98 0.00 0.00 57.97 61.71 1pd5 h PHE 22 Cb 1.67 -0.27 0.00 0.00 2.56 0.00 0.00 35.95 39.91 1pd5 h PHE 22 CO 0.04 0.67 -0.40 0.93 -2.02 0.00 0.00 178.31 177.53 1pd5 h GLU 23 N 0.87 0.46 -0.25 1.11 5.08 -1.42 0.36 114.58 120.80 1pd5 h GLU 23 Ca 0.21 -0.35 -0.15 0.00 -1.00 0.00 0.00 59.36 58.06 1pd5 h GLU 23 Cb 0.15 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1pd5 h GLU 23 CO -0.02 0.98 -0.46 0.00 -1.00 0.00 0.00 179.01 178.51 1pd5 h ALA 24 N 0.48 0.73 -0.01 3.43 0.00 -1.50 -2.42 119.26 119.97 1pd5 h ALA 24 Ca -0.02 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1pd5 h ALA 24 Cb 1.04 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1pd5 h ALA 24 CO 0.08 0.67 -0.18 1.19 0.00 0.00 0.00 179.25 181.01 1pd5 n PHE 25 N -4.01 0.00 0.11 0.00 0.99 0.38 -2.07 117.46 112.86 1pd5 n PHE 25 Ca -0.02 0.00 0.06 0.00 -0.00 0.00 0.00 57.45 57.48 1pd5 n PHE 25 Cb 0.56 -0.08 0.01 0.00 -1.00 0.00 0.00 39.48 38.97 1pd5 n PHE 25 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.76 178.72 1pd5 h GLN 26 N 1.66 0.00 0.00 -1.08 1.08 -0.16 -3.35 115.11 113.27 1pd5 h GLN 26 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1pd5 h GLN 26 Cb 0.52 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 1pd5 h GLN 26 CO 0.00 0.21 0.00 -1.13 -0.95 0.00 0.00 178.83 176.96 1pd5 n SER 27 N -2.95 0.00 -0.33 1.46 3.41 -0.88 -4.78 113.62 109.55 1pd5 n SER 27 Ca -0.02 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.56 1pd5 n SER 27 Cb 0.68 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.72 1pd5 n SER 27 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1pd5 h VAL 28 N 0.00 1.25 -0.19 -3.33 3.04 -1.85 -2.74 116.25 112.43 1pd5 h VAL 28 Ca 0.00 -0.55 0.00 0.00 -1.01 0.00 0.00 66.70 65.14 1pd5 h VAL 28 Cb 0.00 -0.01 0.00 0.00 -2.01 0.00 0.00 31.29 29.27 1pd5 h VAL 28 CO 0.00 0.26 0.00 0.00 -1.01 0.00 0.00 177.57 176.82 1pd5 n ALA 29 N -2.38 2.51 -1.10 3.17 0.00 -1.09 -4.98 120.51 116.64 1pd5 n ALA 29 Ca 0.10 -0.48 -0.43 0.00 0.00 0.00 0.00 53.44 52.63 1pd5 n ALA 29 Cb 0.06 -1.08 -0.06 0.00 0.00 0.00 0.00 19.45 18.37 1pd5 n ALA 29 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1pd5 n GLN 30 N 0.22 0.00 -3.59 0.00 7.27 -1.04 -4.79 117.38 115.45 1pd5 n GLN 30 Ca 0.14 0.00 -0.14 0.00 0.07 0.00 0.00 57.00 57.07 1pd5 n GLN 30 Cb 0.28 -1.02 -0.07 0.00 2.41 0.00 0.00 30.24 31.84 1pd5 n GLN 30 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1pd5 s THR 32 N -0.23 3.96 0.10 0.00 -1.32 -1.26 0.26 115.64 117.14 1pd5 s THR 32 Ca -0.03 -1.18 -0.18 0.00 -1.21 0.00 0.00 61.69 59.08 1pd5 s THR 32 Cb -0.03 -3.35 0.04 0.00 -1.51 0.00 0.00 72.50 67.65 1pd5 s THR 32 CO 0.03 -0.19 0.44 -0.72 -2.21 0.00 0.00 174.62 171.97 1pd5 s TYR 33 N -2.21 -0.29 0.02 9.09 -0.85 0.35 -4.88 117.35 118.58 1pd5 s TYR 33 Ca 0.42 0.11 0.06 0.00 -0.52 0.00 0.00 57.07 57.14 1pd5 s TYR 33 Cb -0.08 0.29 -0.02 0.00 0.38 0.00 0.00 41.96 42.54 1pd5 s TYR 33 CO 0.29 -0.68 -0.17 -0.80 -1.52 0.00 0.00 175.55 172.67 1pd5 s ASN 34 N -2.46 2.03 0.00 -0.18 -0.87 -1.26 -1.14 114.94 111.05 1pd5 s ASN 34 Ca -0.01 -0.41 0.01 0.00 -1.57 0.00 0.00 52.86 50.88 1pd5 s ASN 34 Cb 0.01 -0.18 -0.00 0.00 -0.02 0.00 0.00 41.25 41.05 1pd5 s ASN 34 CO -0.08 0.14 -0.04 -1.10 -2.57 0.00 0.00 177.10 173.45 1pd5 s GLN 35 N -0.85 0.32 -0.10 -0.60 -0.21 -0.76 -5.00 119.66 112.45 1pd5 s GLN 35 Ca 0.05 -0.19 0.02 0.00 0.02 0.00 0.00 55.36 55.27 1pd5 s GLN 35 Cb -0.08 -0.28 0.01 0.00 1.00 0.00 0.00 33.01 33.67 1pd5 s GLN 35 CO 0.01 0.07 -0.17 0.99 -2.12 0.00 0.00 175.29 174.07 1pd5 s THR 36 N -0.21 1.59 0.34 -0.19 2.01 -1.26 -1.25 115.64 116.67 1pd5 s THR 36 Ca 0.00 -0.71 0.09 0.00 0.31 0.00 0.00 61.69 61.38 1pd5 s THR 36 Cb -0.02 -1.43 -0.05 0.00 0.01 0.00 0.00 72.50 71.01 1pd5 s THR 36 CO -0.00 0.46 0.08 -0.69 -0.69 0.00 0.00 174.62 173.78 1pd5 s VAL 37 N 0.81 2.81 -0.96 3.82 1.01 0.08 -4.95 120.40 123.03 1pd5 s VAL 37 Ca -0.10 -1.83 -0.06 0.00 0.00 0.00 0.00 61.98 59.99 1pd5 s VAL 37 Cb -0.16 -2.89 0.24 0.00 0.00 0.00 0.00 36.38 33.57 1pd5 s VAL 37 CO 0.01 -0.19 0.89 -1.10 0.00 0.00 0.00 175.10 174.71 1pd5 s GLN 38 N -3.78 3.64 0.32 2.72 -1.52 -1.26 -1.26 119.66 118.51 1pd5 s GLN 38 Ca 0.36 -3.11 -0.29 0.00 -1.95 0.00 0.00 55.36 50.37 1pd5 s GLN 38 Cb -0.01 -4.24 -0.11 0.00 -0.22 0.00 0.00 33.01 28.43 1pd5 s GLN 38 CO 0.21 -1.25 1.51 -1.17 -0.25 0.00 0.00 175.29 174.34 1pd5 s LEU 39 N -1.05 4.35 -0.75 2.90 1.98 0.02 -4.68 118.68 121.45 1pd5 s LEU 39 Ca 0.27 2.92 -0.25 0.00 -2.89 0.00 0.00 54.13 54.18 1pd5 s LEU 39 Cb -0.10 -3.65 0.05 0.00 0.66 0.00 0.00 46.19 43.15 1pd5 s LEU 39 CO -0.10 -0.84 1.20 -0.62 -1.89 0.00 0.00 176.35 174.11 1pd5 s ASP 40 N 0.16 6.22 0.00 3.68 3.68 -1.26 -1.42 116.67 127.73 1pd5 s ASP 40 Ca 0.58 -0.78 0.22 0.00 2.13 0.00 0.00 52.55 54.70 1pd5 s ASP 40 Cb -0.46 -2.51 0.59 0.00 -1.45 0.00 0.00 42.92 39.09 1pd5 s ASP 40 CO 0.53 -1.66 1.47 2.30 0.13 0.00 0.00 175.17 177.95 1pd5 n ILE 41 N 6.26 0.32 -0.11 4.11 -5.35 0.13 -4.61 119.36 120.11 1pd5 n ILE 41 Ca 0.05 -0.52 -0.03 0.00 -0.27 0.00 0.00 62.75 61.98 1pd5 n ILE 41 Cb 0.48 0.66 -0.03 0.00 -1.74 0.00 0.00 39.64 39.02 1pd5 n ILE 41 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1pd5 n THR 42 N 0.85 -0.18 0.09 7.28 -1.04 -0.75 0.60 114.28 121.13 1pd5 n THR 42 Ca 0.17 1.42 -0.12 0.00 -2.04 0.00 0.00 64.05 63.48 1pd5 n THR 42 Cb 0.45 -1.84 -0.06 0.00 -1.82 0.00 0.00 70.33 67.07 1pd5 n THR 42 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1pd5 h ALA 43 N -0.40 -0.26 -0.43 2.41 0.00 -1.85 -2.55 119.26 116.18 1pd5 h ALA 43 Ca 0.04 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.02 1pd5 h ALA 43 Cb 0.11 0.26 -0.09 0.00 0.00 0.00 0.00 17.79 18.06 1pd5 h ALA 43 CO -0.24 -0.68 -0.22 0.35 0.00 0.00 0.00 179.25 178.46 1pd5 h PHE 44 N -0.31 -0.55 -0.93 0.00 3.57 -0.95 0.12 116.94 117.89 1pd5 h PHE 44 Ca 0.03 0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.62 1pd5 h PHE 44 Cb 0.33 0.31 -0.06 0.00 2.79 0.00 0.00 35.95 39.32 1pd5 h PHE 44 CO -0.17 -0.30 0.61 1.25 -2.23 0.00 0.00 178.31 177.47 1pd5 h LEU 45 N -0.13 0.99 -0.43 0.59 6.46 0.21 -0.29 115.31 122.70 1pd5 h LEU 45 Ca 0.20 -0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.92 1pd5 h LEU 45 Cb 0.45 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.14 1pd5 h LEU 45 CO -0.51 0.67 0.13 0.11 -0.62 0.00 0.00 178.44 178.22 1pd5 h LYS 46 N 1.14 0.68 -0.59 1.25 1.57 -0.39 0.06 116.57 120.29 1pd5 h LYS 46 Ca 0.38 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.93 1pd5 h LYS 46 Cb 0.06 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1pd5 h LYS 46 CO -0.12 0.66 0.07 1.15 -0.57 0.00 0.00 179.45 180.64 1pd5 h THR 47 N 0.56 1.25 -0.22 -0.16 2.02 -0.82 -0.07 112.91 115.48 1pd5 h THR 47 Ca 0.14 -1.02 -0.08 0.00 0.77 0.00 0.00 66.41 66.21 1pd5 h THR 47 Cb 0.27 0.72 -0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1pd5 h THR 47 CO -0.00 0.38 -0.19 0.58 0.37 0.00 0.00 175.52 176.65 1pd5 h VAL 48 N 0.92 1.32 -0.54 3.16 2.07 -0.69 -2.28 116.25 120.21 1pd5 h VAL 48 Ca 0.18 -1.34 -0.05 0.00 0.82 0.00 0.00 66.70 66.31 1pd5 h VAL 48 Cb 0.44 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 1pd5 h VAL 48 CO 0.02 0.41 0.14 0.11 0.02 0.00 0.00 177.57 178.27 1pd5 h LYS 49 N 0.20 0.85 0.00 1.57 1.57 -0.58 0.14 116.57 120.32 1pd5 h LYS 49 Ca 0.04 -0.20 -0.17 0.00 -1.87 0.00 0.00 60.65 58.45 1pd5 h LYS 49 Cb 0.73 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 1pd5 h LYS 49 CO 0.05 0.80 -0.88 1.57 -0.57 0.00 0.00 179.45 180.42 1pd5 h LYS 50 N 0.75 0.00 -0.34 3.15 2.10 -1.08 -2.77 116.57 118.39 1pd5 h LYS 50 Ca 0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.82 1pd5 h LYS 50 Cb 0.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.65 1pd5 h LYS 50 CO -0.00 0.66 0.00 0.09 -2.00 0.00 0.00 179.45 178.20 1pd5 n ASN 51 N -3.22 1.85 -3.95 7.07 3.02 -0.86 -4.92 115.26 114.25 1pd5 n ASN 51 Ca -0.01 -1.98 -0.37 0.00 -0.03 0.00 0.00 54.58 52.19 1pd5 n ASN 51 Cb 0.85 -0.22 0.01 0.00 -0.61 0.00 0.00 39.78 39.81 1pd5 n ASN 51 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1pd5 n LYS 52 N 0.51 -0.59 -3.84 3.52 5.02 -0.54 -4.98 118.16 117.25 1pd5 n LYS 52 Ca 0.12 0.18 -0.27 0.00 -2.02 0.00 0.00 58.31 56.32 1pd5 n LYS 52 Cb 0.30 -2.03 -0.03 0.00 -0.02 0.00 0.00 35.03 33.24 1pd5 n LYS 52 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1pd5 s HIS 53 N -3.46 3.48 0.53 2.13 3.76 0.38 -5.03 115.29 117.09 1pd5 s HIS 53 Ca 0.32 0.20 -0.22 0.00 -0.15 0.00 0.00 55.06 55.21 1pd5 s HIS 53 Cb -0.18 -1.74 -0.05 0.00 1.11 0.00 0.00 32.58 31.72 1pd5 s HIS 53 CO 0.85 0.46 1.35 0.36 -0.85 0.00 0.00 174.74 176.91 1pd5 n LYS 54 N -0.61 1.74 0.01 1.40 2.85 -1.26 -4.66 118.16 117.63 1pd5 n LYS 54 Ca -0.06 0.64 -0.05 0.00 -1.05 0.00 0.00 58.31 57.79 1pd5 n LYS 54 Cb 0.54 -2.56 -0.03 0.00 -0.65 0.00 0.00 35.03 32.32 1pd5 n LYS 54 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 177.40 177.70 1pd5 h PHE 55 N 1.52 -0.12 -0.19 5.58 3.57 -1.99 -3.25 116.94 122.06 1pd5 h PHE 55 Ca -0.51 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.01 1pd5 h PHE 55 Cb 1.30 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 40.06 1pd5 h PHE 55 CO 0.46 0.09 -0.11 0.98 -2.23 0.00 0.00 178.31 177.49 1pd5 n TYR 56 N -4.84 -0.09 0.10 0.41 9.36 -1.26 -0.18 117.16 120.66 1pd5 n TYR 56 Ca -0.03 0.24 0.01 0.00 3.32 0.00 0.00 57.90 61.44 1pd5 n TYR 56 Cb 0.13 -0.46 0.34 0.00 -0.63 0.00 0.00 39.34 38.72 1pd5 n TYR 56 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 1pd5 h PRO 57 N 0.00 0.26 -0.40 2.98 0.13 -1.99 0.36 132.00 133.35 1pd5 h PRO 57 Ca 0.03 -0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 65.07 1pd5 h PRO 57 Cb 0.08 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.16 1pd5 h PRO 57 CO -0.18 0.45 0.19 0.00 -0.23 0.00 0.00 178.00 178.23 1pd5 h ALA 58 N 1.56 0.51 0.02 -0.56 0.00 -1.30 0.10 119.26 119.60 1pd5 h ALA 58 Ca 0.04 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 1pd5 h ALA 58 Cb 0.48 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 18.13 1pd5 h ALA 58 CO 0.03 0.08 -0.69 0.35 0.00 0.00 0.00 179.25 179.02 1pd5 h PHE 59 N 0.50 0.65 -0.77 0.00 3.57 0.10 -2.51 116.94 118.48 1pd5 h PHE 59 Ca 0.14 -0.37 0.10 0.00 3.53 0.00 0.00 57.97 61.36 1pd5 h PHE 59 Cb 0.13 -0.07 -0.07 0.00 2.79 0.00 0.00 35.95 38.73 1pd5 h PHE 59 CO -0.01 1.20 0.42 0.82 -2.23 0.00 0.00 178.31 178.51 1pd5 h ILE 60 N -0.09 0.87 -0.35 1.41 2.04 -0.26 0.20 117.51 121.34 1pd5 h ILE 60 Ca -0.09 -0.24 0.06 0.00 1.00 0.00 0.00 64.86 65.59 1pd5 h ILE 60 Cb 1.41 0.11 -0.06 0.00 -0.74 0.00 0.00 36.82 37.55 1pd5 h ILE 60 CO 0.13 0.13 -0.02 -0.74 0.00 0.00 0.00 178.15 177.65 1pd5 h HIS 61 N 0.70 -0.06 -0.06 1.37 2.76 -0.67 0.13 115.15 119.31 1pd5 h HIS 61 Ca 0.38 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.58 1pd5 h HIS 61 Cb 0.38 0.08 -0.00 0.00 1.55 0.00 0.00 27.41 29.42 1pd5 h HIS 61 CO -0.08 -0.09 0.04 0.82 -1.30 0.00 0.00 177.93 177.32 1pd5 h ILE 62 N 0.07 1.03 -0.58 6.26 2.04 -0.64 0.16 117.51 125.85 1pd5 h ILE 62 Ca 0.17 -0.07 0.11 0.00 1.00 0.00 0.00 64.86 66.06 1pd5 h ILE 62 Cb 0.24 0.97 -0.08 0.00 -0.74 0.00 0.00 36.82 37.21 1pd5 h ILE 62 CO -0.30 0.03 0.12 -0.07 0.00 0.00 0.00 178.15 177.92 1pd5 h LEU 63 N 0.07 0.00 -1.04 1.44 3.38 -0.23 -2.48 115.31 116.45 1pd5 h LEU 63 Ca 0.02 0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1pd5 h LEU 63 Cb 0.01 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1pd5 h LEU 63 CO -0.00 0.01 -0.28 0.00 0.09 0.00 0.00 178.44 178.26 1pd5 h ALA 64 N 1.46 1.01 -0.44 1.53 0.00 0.14 0.17 119.26 123.13 1pd5 h ALA 64 Ca 0.30 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1pd5 h ALA 64 Cb 0.43 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1pd5 h ALA 64 CO -0.39 0.35 -0.01 0.00 0.00 0.00 0.00 179.25 179.21 1pd5 h ARG 65 N 0.00 0.72 0.05 0.00 3.08 -0.36 -1.50 114.38 116.37 1pd5 h ARG 65 Ca -0.00 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 59.86 1pd5 h ARG 65 Cb 0.80 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.77 1pd5 h ARG 65 CO 0.04 0.74 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.58 1pd5 h LEU 66 N 0.68 -0.05 -1.32 3.04 3.38 -0.70 -2.90 115.31 117.44 1pd5 h LEU 66 Ca 0.13 -0.61 0.15 0.00 0.09 0.00 0.00 57.88 57.64 1pd5 h LEU 66 Cb 0.43 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.13 1pd5 h LEU 66 CO 0.02 0.67 0.57 0.24 0.09 0.00 0.00 178.44 180.03 1pd5 h MET 67 N -0.88 0.63 -0.94 1.13 2.86 -1.12 -2.17 114.93 114.45 1pd5 h MET 67 Ca -0.01 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1pd5 h MET 67 Cb 0.66 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 1pd5 h MET 67 CO 0.01 0.42 0.02 0.09 1.06 0.00 0.00 176.91 178.51 1pd5 n ASN 68 N -4.56 2.08 0.00 1.22 3.02 -0.57 -3.68 115.26 112.78 1pd5 n ASN 68 Ca 0.17 -2.19 0.00 0.00 -0.03 0.00 0.00 54.58 52.53 1pd5 n ASN 68 Cb 0.49 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 39.12 1pd5 n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pd5 n ALA 69 N 0.13 1.86 -3.67 5.41 0.00 -0.81 -4.99 120.51 118.43 1pd5 n ALA 69 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.30 1pd5 n ALA 69 Cb 0.47 0.00 -0.18 0.00 0.00 0.00 0.00 19.45 19.75 1pd5 n ALA 69 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1pd5 s HIS 70 N -1.33 0.05 0.47 0.00 3.76 -1.24 -5.05 115.29 111.94 1pd5 s HIS 70 Ca 0.00 0.25 0.17 0.00 -0.15 0.00 0.00 55.06 55.33 1pd5 s HIS 70 Cb 0.00 -0.48 1.15 0.00 1.11 0.00 0.00 32.58 34.37 1pd5 s HIS 70 CO 0.00 -0.22 2.05 -1.00 -0.85 0.00 0.00 174.74 174.72 1pd5 h PRO 71 N 8.43 0.00 0.00 8.40 0.13 -1.95 -3.03 132.00 143.99 1pd5 h PRO 71 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1pd5 h PRO 71 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1pd5 h PRO 71 CO 0.16 0.13 0.09 1.05 -0.23 0.00 0.00 178.00 179.20 1pd5 h GLU 72 N 0.00 0.00 0.00 0.86 9.09 -1.91 0.30 114.58 122.92 1pd5 h GLU 72 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1pd5 h GLU 72 Cb 0.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.35 1pd5 h GLU 72 CO 0.02 0.00 -0.42 1.19 0.05 0.00 0.00 179.01 179.85 1pd5 n PHE 73 N -2.44 0.44 -1.38 2.06 0.99 -1.14 -4.42 117.46 111.57 1pd5 n PHE 73 Ca -0.02 0.13 0.01 0.00 -0.00 0.00 0.00 57.45 57.58 1pd5 n PHE 73 Cb 0.12 -0.61 0.20 0.00 -1.00 0.00 0.00 39.48 38.20 1pd5 n PHE 73 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1pd5 n ARG 74 N -1.94 1.88 -3.54 -1.08 1.74 0.10 -4.59 116.66 109.22 1pd5 n ARG 74 Ca 0.05 -3.10 -0.36 0.00 -0.77 0.00 0.00 57.85 53.66 1pd5 n ARG 74 Cb 0.40 -1.75 -0.06 0.00 -1.02 0.00 0.00 32.46 30.04 1pd5 n ARG 74 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1pd5 s MET 75 N -3.15 3.83 0.05 5.56 -1.94 -1.25 -0.11 119.30 122.29 1pd5 s MET 75 Ca 0.41 0.29 -0.04 0.00 -1.71 0.00 0.00 55.69 54.64 1pd5 s MET 75 Cb 0.38 -3.11 -0.02 0.00 2.01 0.00 0.00 34.83 34.09 1pd5 s MET 75 CO -0.00 0.63 0.06 0.00 -0.01 0.00 0.00 175.02 175.69 1pd5 s ALA 76 N -1.24 0.14 -0.56 3.03 0.00 -1.10 -4.45 121.76 117.57 1pd5 s ALA 76 Ca 0.28 -0.82 -0.22 0.00 0.00 0.00 0.00 51.96 51.21 1pd5 s ALA 76 Cb -0.15 0.29 0.06 0.00 0.00 0.00 0.00 23.12 23.32 1pd5 s ALA 76 CO 0.15 -0.36 0.81 -1.64 0.00 0.00 0.00 175.76 174.72 1pd5 s MET 77 N -3.25 3.19 -0.36 0.00 -1.94 -1.26 -1.58 119.30 114.09 1pd5 s MET 77 Ca 0.01 -0.70 -0.05 0.00 -1.71 0.00 0.00 55.69 53.23 1pd5 s MET 77 Cb 0.03 -4.12 0.06 0.00 2.01 0.00 0.00 34.83 32.81 1pd5 s MET 77 CO -0.08 -1.46 0.13 0.21 -0.01 0.00 0.00 175.02 173.81 1pd5 s LYS 78 N 3.38 2.45 -0.89 2.03 2.20 0.10 -4.72 119.74 124.29 1pd5 s LYS 78 Ca 0.21 -1.38 -0.06 0.00 -0.36 0.00 0.00 55.97 54.38 1pd5 s LYS 78 Cb -0.17 -3.48 -0.01 0.00 -1.51 0.00 0.00 37.83 32.66 1pd5 s LYS 78 CO 0.14 -0.79 0.71 -0.25 -0.36 0.00 0.00 175.35 174.79 1pd5 n ASP 79 N 4.74 -6.15 0.00 1.43 9.92 -1.26 -2.02 116.55 123.21 1pd5 n ASP 79 Ca -0.10 -0.64 0.00 0.00 -0.53 0.00 0.00 54.79 53.52 1pd5 n ASP 79 Cb 0.43 -3.64 0.00 0.00 -0.64 0.00 0.00 41.12 37.27 1pd5 n ASP 79 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1pd5 n GLY 80 N -1.69 0.00 3.58 0.44 0.00 -1.26 -4.94 105.19 101.32 1pd5 n GLY 80 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 1pd5 n GLY 80 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pd5 s GLU 81 N -0.58 3.20 0.09 1.61 2.02 -0.85 -5.11 118.70 119.08 1pd5 s GLU 81 Ca 0.00 -0.49 -0.31 0.00 0.02 0.00 0.00 54.97 54.19 1pd5 s GLU 81 Cb 0.00 -2.78 -0.09 0.00 0.10 0.00 0.00 34.13 31.35 1pd5 s GLU 81 CO 0.00 0.50 1.77 -1.17 0.02 0.00 0.00 175.26 176.39 1pd5 s LEU 82 N -0.35 4.39 0.06 1.80 2.96 -1.26 -0.72 118.68 125.56 1pd5 s LEU 82 Ca 0.06 2.65 0.01 0.00 -0.22 0.00 0.00 54.13 56.63 1pd5 s LEU 82 Cb -0.12 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.97 1pd5 s LEU 82 CO 0.02 -0.97 -0.06 -0.69 -1.32 0.00 0.00 176.35 173.33 1pd5 s VAL 83 N 2.87 0.52 -0.28 1.68 1.01 -0.62 0.19 120.40 125.78 1pd5 s VAL 83 Ca 0.79 -1.45 0.01 0.00 0.00 0.00 0.00 61.98 61.32 1pd5 s VAL 83 Cb -0.43 -1.06 0.05 0.00 0.00 0.00 0.00 36.38 34.94 1pd5 s VAL 83 CO 0.35 -0.64 -0.06 -0.63 0.00 0.00 0.00 175.10 174.13 1pd5 s ILE 84 N -2.46 2.59 0.47 2.22 1.01 -0.36 -2.72 121.20 121.94 1pd5 s ILE 84 Ca -0.01 -1.48 -0.18 0.00 0.00 0.00 0.00 60.65 58.98 1pd5 s ILE 84 Cb -0.03 -2.49 -0.15 0.00 0.01 0.00 0.00 42.46 39.81 1pd5 s ILE 84 CO -0.03 -0.05 -0.08 0.79 0.00 0.00 0.00 174.94 175.58 1pd5 n TRP 85 N 4.53 -2.67 0.08 3.97 5.03 0.84 -1.00 117.44 128.23 1pd5 n TRP 85 Ca -0.14 0.48 -0.20 0.00 3.03 0.00 0.00 57.50 60.68 1pd5 n TRP 85 Cb 0.43 -1.67 -0.15 0.00 -1.03 0.00 0.00 31.31 28.89 1pd5 n TRP 85 CO 0.00 0.00 0.00 -0.44 -0.03 0.00 0.00 177.69 177.22 1pd5 h ASP 86 N 0.06 0.52 -4.10 -0.99 3.45 -1.82 -3.45 116.42 110.09 1pd5 h ASP 86 Ca -0.39 -0.70 -0.69 0.00 0.43 0.00 0.00 57.03 55.67 1pd5 h ASP 86 Cb 1.42 -0.17 -0.24 0.00 -0.56 0.00 0.00 39.33 39.78 1pd5 h ASP 86 CO 0.42 1.58 -0.85 -0.44 -1.57 0.00 0.00 179.24 178.38 1pd5 s SER 87 N -7.16 3.41 0.06 6.45 0.01 -1.26 -5.02 113.70 110.18 1pd5 s SER 87 Ca -0.11 -0.58 0.08 0.00 1.31 0.00 0.00 55.95 56.65 1pd5 s SER 87 Cb 0.06 -0.38 -0.03 0.00 0.21 0.00 0.00 66.02 65.88 1pd5 s SER 87 CO 0.87 0.24 -0.19 0.68 0.41 0.00 0.00 173.24 175.24 1pd5 s VAL 88 N -0.91 2.70 -0.09 3.43 -7.23 -1.26 -4.88 120.40 112.16 1pd5 s VAL 88 Ca 0.13 -1.28 0.04 0.00 -1.81 0.00 0.00 61.98 59.06 1pd5 s VAL 88 Cb -0.10 -2.15 0.00 0.00 0.56 0.00 0.00 36.38 34.69 1pd5 s VAL 88 CO 0.04 0.29 -0.21 -1.00 -0.31 0.00 0.00 175.10 173.92 1pd5 s HIS 89 N -0.95 2.26 0.13 2.82 3.76 -0.95 -4.62 115.29 117.73 1pd5 s HIS 89 Ca 0.15 -0.90 -0.30 0.00 -0.15 0.00 0.00 55.06 53.85 1pd5 s HIS 89 Cb -0.10 -1.53 -0.07 0.00 1.11 0.00 0.00 32.58 31.98 1pd5 s HIS 89 CO 0.06 -0.37 1.26 -1.25 -0.85 0.00 0.00 174.74 173.58 1pd5 s PRO 90 N 0.40 4.42 -0.41 8.40 0.04 -1.23 -2.97 135.00 143.65 1pd5 s PRO 90 Ca -0.17 1.91 -0.03 0.00 0.04 0.00 0.00 61.00 62.75 1pd5 s PRO 90 Cb -0.17 -3.27 0.11 0.00 0.04 0.00 0.00 34.50 31.21 1pd5 s PRO 90 CO 0.07 -0.25 0.20 0.00 0.04 0.00 0.00 177.00 177.06 1pd5 s TYR 92 N 1.14 2.62 0.42 0.00 -0.85 -0.95 -1.48 117.35 118.24 1pd5 s TYR 92 Ca 0.08 -0.22 -0.23 0.00 -0.52 0.00 0.00 57.07 56.19 1pd5 s TYR 92 Cb -0.23 -1.48 -0.10 0.00 0.38 0.00 0.00 41.96 40.54 1pd5 s TYR 92 CO -0.04 0.28 1.00 0.95 -1.52 0.00 0.00 175.55 176.22 1pd5 s THR 93 N -0.96 4.01 -0.19 -3.49 -4.23 -0.94 -1.87 115.64 107.98 1pd5 s THR 93 Ca 0.15 1.40 -0.02 0.00 -1.18 0.00 0.00 61.69 62.05 1pd5 s THR 93 Cb -0.11 -3.65 -0.00 0.00 1.34 0.00 0.00 72.50 70.08 1pd5 s THR 93 CO 0.06 -0.13 -0.11 0.68 -0.54 0.00 0.00 174.62 174.59 1pd5 s VAL 94 N -1.88 2.94 -0.12 2.29 -7.23 0.49 -4.75 120.40 112.14 1pd5 s VAL 94 Ca 0.60 -0.66 -0.29 0.00 -1.81 0.00 0.00 61.98 59.83 1pd5 s VAL 94 Cb -0.16 -2.29 -0.01 0.00 0.56 0.00 0.00 36.38 34.48 1pd5 s VAL 94 CO 0.21 0.48 0.97 0.12 -0.31 0.00 0.00 175.10 176.57 1pd5 s PHE 95 N 1.14 3.49 -0.54 2.82 5.36 -1.26 -1.08 117.98 127.91 1pd5 s PHE 95 Ca 0.01 1.53 -0.16 0.00 -0.96 0.00 0.00 56.93 57.34 1pd5 s PHE 95 Cb -0.14 -3.15 0.13 0.00 -0.34 0.00 0.00 43.02 39.51 1pd5 s PHE 95 CO -0.03 -0.23 0.51 -1.01 -1.46 0.00 0.00 175.22 173.00 1pd5 s HIS 96 N 2.06 3.23 0.61 10.12 3.76 -0.70 -4.98 115.29 129.38 1pd5 s HIS 96 Ca 0.46 -1.25 0.27 0.00 -0.15 0.00 0.00 55.06 54.39 1pd5 s HIS 96 Cb -0.18 -3.79 1.21 0.00 1.11 0.00 0.00 32.58 30.93 1pd5 s HIS 96 CO 0.16 -1.03 1.63 1.49 -0.85 0.00 0.00 174.74 176.14 1pd5 h GLU 97 N 8.91 0.00 0.00 1.40 4.81 -1.97 -2.32 114.58 125.41 1pd5 h GLU 97 Ca -0.30 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.79 1pd5 h GLU 97 Cb 1.10 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 1pd5 h GLU 97 CO 1.04 0.00 -1.05 1.96 -0.73 0.00 0.00 179.01 180.22 1pd5 h GLN 98 N 0.00 0.00 -0.04 1.92 1.08 -1.94 -3.30 115.11 112.82 1pd5 h GLN 98 Ca 0.29 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.49 1pd5 h GLN 98 Cb 1.84 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.27 1pd5 h GLN 98 CO -0.00 0.38 0.00 0.25 -0.95 0.00 0.00 178.83 178.51 1pd5 n THR 99 N -3.02 0.21 -2.33 -0.54 -2.24 -0.90 -5.00 114.28 100.46 1pd5 n THR 99 Ca -0.05 -0.60 -0.14 0.00 -2.27 0.00 0.00 64.05 60.99 1pd5 n THR 99 Cb 0.80 0.99 -0.01 0.00 -2.10 0.00 0.00 70.33 70.01 1pd5 n THR 99 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pd5 n GLU 100 N 0.27 -2.03 -4.60 -0.78 -0.58 -1.05 -4.98 120.64 106.88 1pd5 n GLU 100 Ca 0.04 0.70 -0.28 0.00 -0.42 0.00 0.00 57.16 57.20 1pd5 n GLU 100 Cb 0.19 -5.28 -0.09 0.00 -0.57 0.00 0.00 31.44 25.69 1pd5 n GLU 100 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1pd5 s THR 101 N -2.66 1.15 0.11 2.62 -4.23 -1.23 -5.01 115.64 106.40 1pd5 s THR 101 Ca 0.00 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.49 1pd5 s THR 101 Cb 0.00 -2.49 -0.03 0.00 1.34 0.00 0.00 72.50 71.32 1pd5 s THR 101 CO 0.00 0.00 0.06 0.72 -0.54 0.00 0.00 174.62 174.86 1pd5 s PHE 102 N -3.03 0.65 0.05 3.99 -0.12 -1.26 -1.73 117.98 116.54 1pd5 s PHE 102 Ca 0.22 -1.09 0.00 0.00 -0.05 0.00 0.00 56.93 56.02 1pd5 s PHE 102 Cb 0.05 -0.38 -0.03 0.00 -0.63 0.00 0.00 43.02 42.03 1pd5 s PHE 102 CO 0.11 -0.50 -0.05 -1.54 -0.05 0.00 0.00 175.22 173.20 1pd5 s SER 103 N -2.99 0.62 -0.14 1.98 1.04 -0.24 -4.73 113.70 109.24 1pd5 s SER 103 Ca 0.17 -0.77 -0.11 0.00 0.48 0.00 0.00 55.95 55.71 1pd5 s SER 103 Cb 0.07 0.12 -0.05 0.00 0.10 0.00 0.00 66.02 66.26 1pd5 s SER 103 CO -0.03 -0.41 0.22 -0.44 0.98 0.00 0.00 173.24 173.56 1pd5 s SER 104 N -2.28 6.41 -0.16 7.02 0.01 -0.34 -0.38 113.70 123.99 1pd5 s SER 104 Ca -0.02 0.48 0.00 0.00 1.31 0.00 0.00 55.95 57.73 1pd5 s SER 104 Cb -0.01 -2.13 0.03 0.00 0.21 0.00 0.00 66.02 64.12 1pd5 s SER 104 CO -0.04 0.24 -0.10 -0.22 0.41 0.00 0.00 173.24 173.53 1pd5 s LEU 105 N -0.19 1.76 0.26 2.44 0.20 -0.78 -4.10 118.68 118.27 1pd5 s LEU 105 Ca 0.15 -0.62 -0.03 0.00 0.69 0.00 0.00 54.13 54.32 1pd5 s LEU 105 Cb -0.13 -1.07 -0.05 0.00 -0.43 0.00 0.00 46.19 44.52 1pd5 s LEU 105 CO 0.04 -0.13 0.49 -1.66 -0.29 0.00 0.00 176.35 174.80 1pd5 s TRP 106 N 1.54 3.48 -0.04 5.38 1.48 -1.26 -2.24 118.94 127.28 1pd5 s TRP 106 Ca 0.02 0.49 -0.03 0.00 -1.06 0.00 0.00 56.10 55.52 1pd5 s TRP 106 Cb -0.14 -1.98 0.01 0.00 -1.16 0.00 0.00 33.47 30.20 1pd5 s TRP 106 CO -0.09 0.25 0.11 -1.12 -4.06 0.00 0.00 176.95 172.04 1pd5 s SER 107 N -3.26 -0.11 0.12 -2.66 0.01 -0.98 -5.00 113.70 101.82 1pd5 s SER 107 Ca 0.41 0.22 -0.31 0.00 1.31 0.00 0.00 55.95 57.58 1pd5 s SER 107 Cb -0.11 0.20 -0.09 0.00 0.21 0.00 0.00 66.02 66.24 1pd5 s SER 107 CO 0.30 -0.05 1.59 -0.70 0.41 0.00 0.00 173.24 174.79 1pd5 s GLU 108 N 0.22 4.21 0.19 12.44 2.12 -1.26 -3.51 118.70 133.11 1pd5 s GLU 108 Ca -0.01 2.33 -0.31 0.00 0.36 0.00 0.00 54.97 57.33 1pd5 s GLU 108 Cb -0.02 -3.36 -0.10 0.00 0.26 0.00 0.00 34.13 30.90 1pd5 s GLU 108 CO -0.01 -0.65 1.48 -0.47 -0.54 0.00 0.00 175.26 175.07 1pd5 s TYR 109 N 1.83 3.08 0.02 5.30 5.04 -1.26 -4.93 117.35 126.43 1pd5 s TYR 109 Ca 0.71 0.87 0.02 0.00 -2.44 0.00 0.00 57.07 56.24 1pd5 s TYR 109 Cb -0.41 -3.83 -0.01 0.00 0.35 0.00 0.00 41.96 38.05 1pd5 s TYR 109 CO 0.32 -2.88 -0.08 -1.58 -1.34 0.00 0.00 175.55 169.99 1pd5 s HIS 110 N 0.61 0.67 0.28 4.97 2.46 -1.26 -5.06 115.29 117.96 1pd5 s HIS 110 Ca 0.64 -0.27 -0.01 0.00 0.47 0.00 0.00 55.06 55.90 1pd5 s HIS 110 Cb -0.42 -0.41 0.46 0.00 -0.13 0.00 0.00 32.58 32.09 1pd5 s HIS 110 CO 0.36 -0.03 1.90 -0.44 -2.47 0.00 0.00 174.74 174.06 1pd5 h ASP 111 N 5.36 0.98 -3.35 9.88 3.45 -1.99 -3.42 116.42 127.33 1pd5 h ASP 111 Ca -0.32 0.01 -0.54 0.00 0.43 0.00 0.00 57.03 56.60 1pd5 h ASP 111 Cb 1.19 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 39.74 1pd5 h ASP 111 CO 0.46 0.63 0.43 -0.62 -1.57 0.00 0.00 179.24 178.57 1pd5 s ASP 112 N -5.96 7.30 0.15 6.45 2.15 -1.26 -4.98 116.67 120.53 1pd5 s ASP 112 Ca -0.12 1.69 -0.12 0.00 0.43 0.00 0.00 52.55 54.43 1pd5 s ASP 112 Cb 0.20 -2.57 0.01 0.00 -0.30 0.00 0.00 42.92 40.27 1pd5 s ASP 112 CO 0.81 -0.32 1.59 0.15 -0.17 0.00 0.00 175.17 177.22 1pd5 h PHE 113 N 6.86 0.98 0.15 -5.34 3.57 -2.00 -2.15 116.94 119.01 1pd5 h PHE 113 Ca -0.39 -0.18 0.02 0.00 3.53 0.00 0.00 57.97 60.94 1pd5 h PHE 113 Cb 1.21 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 39.66 1pd5 h PHE 113 CO 0.68 0.93 -0.31 0.00 -2.23 0.00 0.00 178.31 177.38 1pd5 h ARG 114 N 0.74 -0.53 -0.49 1.11 3.08 -1.96 -0.58 114.38 115.75 1pd5 h ARG 114 Ca 0.13 0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.16 1pd5 h ARG 114 Cb 0.56 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 1pd5 h ARG 114 CO 0.03 -0.35 0.06 1.96 -1.07 0.00 0.00 179.97 180.60 1pd5 h GLN 115 N -0.55 0.78 -0.23 0.04 4.20 -1.85 -2.72 115.11 114.78 1pd5 h GLN 115 Ca 0.02 -0.18 -0.06 0.00 0.06 0.00 0.00 58.65 58.50 1pd5 h GLN 115 Cb 0.57 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1pd5 h GLN 115 CO -0.17 0.74 -0.10 0.35 -0.67 0.00 0.00 178.83 178.98 1pd5 h PHE 116 N 0.74 0.38 0.60 2.96 3.57 -1.13 -3.20 116.94 120.86 1pd5 h PHE 116 Ca 0.16 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 1pd5 h PHE 116 Cb 0.36 -0.11 0.01 0.00 2.79 0.00 0.00 35.95 39.00 1pd5 h PHE 116 CO 0.02 0.47 -0.29 1.25 -2.23 0.00 0.00 178.31 177.53 1pd5 h LEU 117 N 0.35 -0.68 -9.89 0.59 6.46 -0.79 -2.67 115.31 108.68 1pd5 h LEU 117 Ca 0.07 -0.03 -0.54 0.00 -0.12 0.00 0.00 57.88 57.26 1pd5 h LEU 117 Cb 0.40 0.18 0.10 0.00 -0.73 0.00 0.00 40.66 40.61 1pd5 h LEU 117 CO 0.02 -0.36 0.83 -1.00 -0.62 0.00 0.00 178.44 177.31 1pd5 s HIS 118 N -5.15 2.64 0.00 1.25 3.76 -1.14 -1.17 115.29 115.48 1pd5 s HIS 118 Ca -0.15 1.01 0.00 0.00 -0.15 0.00 0.00 55.06 55.76 1pd5 s HIS 118 Cb 0.02 -4.05 0.00 0.00 1.11 0.00 0.00 32.58 29.66 1pd5 s HIS 118 CO 0.53 -3.27 0.00 -0.89 -0.85 0.00 0.00 174.74 170.26 1pd5 n ILE 119 N 1.14 0.00 -0.07 0.60 2.08 -1.26 -4.66 119.36 117.19 1pd5 n ILE 119 Ca 0.04 0.00 -0.07 0.00 0.56 0.00 0.00 62.75 63.28 1pd5 n ILE 119 Cb 0.38 0.00 -0.01 0.00 -0.75 0.00 0.00 39.64 39.26 1pd5 n ILE 119 CO 0.00 0.00 0.00 0.22 0.56 0.00 0.00 176.55 177.33 1pd5 h TYR 120 N 0.00 -0.07 -0.14 1.39 3.20 -0.98 0.70 116.97 121.07 1pd5 h TYR 120 Ca 0.00 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.74 1pd5 h TYR 120 Cb 0.00 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 1pd5 h TYR 120 CO 0.00 -0.08 -0.54 0.77 -1.64 0.00 0.00 178.16 176.67 1pd5 h SER 121 N 0.04 0.47 -0.28 -2.11 0.02 -1.41 0.42 113.55 110.70 1pd5 h SER 121 Ca 0.13 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1pd5 h SER 121 Cb 0.18 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1pd5 h SER 121 CO -0.24 0.92 0.16 1.56 -1.14 0.00 0.00 176.83 178.09 1pd5 h GLN 122 N 0.33 0.39 -0.17 3.45 4.20 -1.77 -0.33 115.11 121.21 1pd5 h GLN 122 Ca 0.01 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1pd5 h GLN 122 Cb 1.05 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.75 1pd5 h GLN 122 CO 0.09 0.32 0.07 -0.44 -0.67 0.00 0.00 178.83 178.21 1pd5 h ASP 123 N 0.34 0.23 -0.07 1.46 3.32 0.19 -2.70 116.42 119.19 1pd5 h ASP 123 Ca 0.10 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 1pd5 h ASP 123 Cb 0.04 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 1pd5 h ASP 123 CO -0.02 0.32 0.04 0.58 -1.72 0.00 0.00 179.24 178.45 1pd5 h VAL 124 N 0.12 1.05 -0.87 -1.35 2.07 -0.96 -2.15 116.25 114.15 1pd5 h VAL 124 Ca 0.06 -0.12 0.20 0.00 0.82 0.00 0.00 66.70 67.66 1pd5 h VAL 124 Cb 0.17 1.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.78 1pd5 h VAL 124 CO -0.00 0.04 -0.06 0.00 0.02 0.00 0.00 177.57 177.57 1pd5 h ALA 125 N 0.99 0.84 0.14 1.67 0.00 -0.94 0.22 119.26 122.19 1pd5 h ALA 125 Ca 0.02 0.30 -0.28 0.00 0.00 0.00 0.00 54.91 54.96 1pd5 h ALA 125 Cb 0.03 0.55 0.01 0.00 0.00 0.00 0.00 17.79 18.38 1pd5 h ALA 125 CO -0.00 -0.46 -1.36 0.00 0.00 0.00 0.00 179.25 177.43 1pd5 n TYR 127 N -3.89 0.00 0.00 0.00 4.01 -0.81 -4.66 117.16 111.81 1pd5 n TYR 127 Ca -0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.52 1pd5 n TYR 127 Cb 0.93 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.84 1pd5 n TYR 127 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pd5 n GLY 128 N 1.43 0.00 1.93 2.72 0.00 0.78 -0.78 105.19 111.27 1pd5 n GLY 128 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1pd5 n GLY 128 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pd5 n GLU 129 N 0.61 0.00 -1.80 1.61 -0.58 -1.26 -4.91 120.64 114.31 1pd5 n GLU 129 Ca 0.00 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.33 1pd5 n GLU 129 Cb 0.00 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1pd5 n GLU 129 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1pd5 s ASN 130 N -2.00 6.35 0.00 1.62 0.01 0.04 -4.90 114.94 116.05 1pd5 s ASN 130 Ca 0.00 3.03 0.26 0.00 -0.71 0.00 0.00 52.86 55.45 1pd5 s ASN 130 Cb 0.00 -2.66 0.71 0.00 0.41 0.00 0.00 41.25 39.71 1pd5 s ASN 130 CO 0.00 -0.88 1.54 0.18 -1.51 0.00 0.00 177.10 176.42 1pd5 n LEU 131 N 0.81 1.18 -4.70 0.60 4.77 -1.26 -4.86 117.00 113.53 1pd5 n LEU 131 Ca 0.02 -0.34 -0.43 0.00 -0.03 0.00 0.00 56.01 55.24 1pd5 n LEU 131 Cb 0.39 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.37 1pd5 n LEU 131 CO 0.64 0.22 0.95 0.00 -1.33 0.00 0.00 177.39 177.86 1pd5 n ALA 132 N -0.50 1.43 -0.25 -1.18 0.00 -1.26 -4.85 120.51 113.89 1pd5 n ALA 132 Ca 0.13 0.37 0.04 0.00 0.00 0.00 0.00 53.44 53.97 1pd5 n ALA 132 Cb 0.36 -2.28 0.14 0.00 0.00 0.00 0.00 19.45 17.67 1pd5 n ALA 132 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1pd5 h TYR 133 N 2.87 -0.12 -2.30 0.00 3.20 -1.91 -3.31 116.97 115.40 1pd5 h TYR 133 Ca -0.46 0.06 -0.63 0.00 3.14 0.00 0.00 58.73 60.83 1pd5 h TYR 133 Cb 1.28 0.17 -0.40 0.00 1.54 0.00 0.00 36.73 39.32 1pd5 h TYR 133 CO 0.52 -0.25 -0.35 1.19 -1.64 0.00 0.00 178.16 177.62 1pd5 n PHE 134 N -5.37 3.60 -0.08 -3.82 3.01 -1.26 -1.20 117.46 112.35 1pd5 n PHE 134 Ca 0.13 -3.83 0.26 0.00 1.01 0.00 0.00 57.45 55.01 1pd5 n PHE 134 Cb 0.45 -0.65 0.69 0.00 -0.01 0.00 0.00 39.48 39.96 1pd5 n PHE 134 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1pd5 h PRO 135 N 3.88 0.00 -0.12 -1.08 0.11 -1.71 1.74 132.00 134.82 1pd5 h PRO 135 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1pd5 h PRO 135 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1pd5 h PRO 135 CO 0.91 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.33 1pd5 n LYS 136 N -3.76 1.54 -0.41 1.05 5.02 -1.26 -5.05 118.16 115.29 1pd5 n LYS 136 Ca 0.15 -1.62 0.05 0.00 -2.02 0.00 0.00 58.31 54.87 1pd5 n LYS 136 Cb 0.95 -1.32 -0.02 0.00 -0.02 0.00 0.00 35.03 34.62 1pd5 n LYS 136 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pd5 n GLY 137 N 0.91 -2.20 3.81 0.72 0.00 0.59 -4.88 105.19 104.15 1pd5 n GLY 137 Ca 0.11 -1.38 -0.38 0.00 0.00 0.00 0.00 46.02 44.37 1pd5 n GLY 137 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1pd5 s PHE 138 N -2.43 3.77 0.16 1.61 -0.12 -1.26 -4.87 117.98 114.84 1pd5 s PHE 138 Ca 0.00 1.29 0.09 0.00 -0.05 0.00 0.00 56.93 58.26 1pd5 s PHE 138 Cb 0.00 -2.52 -0.04 0.00 -0.63 0.00 0.00 43.02 39.83 1pd5 s PHE 138 CO 0.00 0.53 -0.14 0.96 -0.05 0.00 0.00 175.22 176.51 1pd5 s ILE 139 N -1.22 2.95 -0.31 -4.49 -4.36 -1.26 -5.06 121.20 107.45 1pd5 s ILE 139 Ca 0.33 -1.67 0.27 0.00 -0.26 0.00 0.00 60.65 59.32 1pd5 s ILE 139 Cb -0.19 -2.42 0.30 0.00 1.25 0.00 0.00 42.46 41.40 1pd5 s ILE 139 CO 0.20 -0.04 1.80 1.05 0.24 0.00 0.00 174.94 178.18 1pd5 h GLU 140 N 3.21 0.00 -1.86 0.37 4.11 -2.03 -3.30 114.58 115.09 1pd5 h GLU 140 Ca -0.48 0.00 -0.68 0.00 0.07 0.00 0.00 59.36 58.27 1pd5 h GLU 140 Cb 1.19 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 30.10 1pd5 h GLU 140 CO 0.51 0.00 0.15 0.27 0.07 0.00 0.00 179.01 180.00 1pd5 n ASN 141 N -2.52 6.04 -4.96 3.06 6.94 -1.26 -5.00 115.26 117.55 1pd5 n ASN 141 Ca 0.02 -3.76 -0.22 0.00 -0.02 0.00 0.00 54.58 50.60 1pd5 n ASN 141 Cb 0.27 -0.78 -0.01 0.00 -2.36 0.00 0.00 39.78 36.90 1pd5 n ASN 141 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1pd5 s MET 142 N -3.82 3.42 0.19 -3.83 -1.94 -1.24 -2.23 119.30 109.84 1pd5 s MET 142 Ca 0.49 -0.61 0.08 0.00 -1.71 0.00 0.00 55.69 53.94 1pd5 s MET 142 Cb 0.38 -2.79 -0.04 0.00 2.01 0.00 0.00 34.83 34.39 1pd5 s MET 142 CO -0.27 0.27 -0.15 -0.59 -0.01 0.00 0.00 175.02 174.27 1pd5 s PHE 143 N -2.15 1.68 -0.10 -0.03 -0.12 -1.16 -4.83 117.98 111.27 1pd5 s PHE 143 Ca 0.38 -0.56 0.00 0.00 -0.05 0.00 0.00 56.93 56.69 1pd5 s PHE 143 Cb -0.09 -0.80 -0.02 0.00 -0.63 0.00 0.00 43.02 41.47 1pd5 s PHE 143 CO 0.32 0.32 -0.09 -0.06 -0.05 0.00 0.00 175.22 175.66 1pd5 s PHE 144 N -2.77 2.88 -0.22 3.49 0.40 0.40 -1.24 117.98 120.93 1pd5 s PHE 144 Ca 0.20 -0.25 0.01 0.00 -0.60 0.00 0.00 56.93 56.29 1pd5 s PHE 144 Cb -0.02 -1.78 0.03 0.00 0.51 0.00 0.00 43.02 41.76 1pd5 s PHE 144 CO 0.06 0.09 -0.15 0.08 0.70 0.00 0.00 175.22 176.00 1pd5 s VAL 145 N -0.25 2.25 -0.16 -0.44 1.01 -0.55 0.54 120.40 122.80 1pd5 s VAL 145 Ca 0.03 -1.15 -0.06 0.00 0.00 0.00 0.00 61.98 60.80 1pd5 s VAL 145 Cb -0.13 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 1pd5 s VAL 145 CO 0.03 0.32 0.02 -0.44 0.00 0.00 0.00 175.10 175.02 1pd5 s SER 146 N 1.24 5.27 -0.24 3.32 0.01 -0.01 -2.21 113.70 121.09 1pd5 s SER 146 Ca 0.00 0.00 -0.23 0.00 1.31 0.00 0.00 55.95 57.03 1pd5 s SER 146 Cb -0.16 -1.86 -0.01 0.00 0.21 0.00 0.00 66.02 64.20 1pd5 s SER 146 CO -0.09 0.19 0.77 0.00 0.41 0.00 0.00 173.24 174.52 1pd5 s ALA 147 N 0.27 3.62 -0.76 1.44 0.00 -1.26 -1.22 121.76 123.84 1pd5 s ALA 147 Ca 0.01 -0.20 0.03 0.00 0.00 0.00 0.00 51.96 51.80 1pd5 s ALA 147 Cb -0.13 -3.20 0.20 0.00 0.00 0.00 0.00 23.12 19.99 1pd5 s ALA 147 CO 0.01 -0.85 0.65 -1.71 0.00 0.00 0.00 175.76 173.86 1pd5 n ASN 148 N 5.82 3.58 -0.97 0.00 5.15 0.30 -4.91 115.26 124.22 1pd5 n ASN 148 Ca 0.04 -3.24 0.03 0.00 -0.60 0.00 0.00 54.58 50.81 1pd5 n ASN 148 Cb 0.48 -0.84 0.16 0.00 -0.53 0.00 0.00 39.78 39.05 1pd5 n ASN 148 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1pd5 n PRO 149 N 1.84 2.43 0.02 1.20 -0.04 -1.26 -3.10 135.00 136.09 1pd5 n PRO 149 Ca 0.22 -1.26 0.06 0.00 -0.04 0.00 0.00 63.50 62.48 1pd5 n PRO 149 Cb 0.36 -1.70 -0.10 0.00 -0.04 0.00 0.00 33.50 32.02 1pd5 n PRO 149 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1pd5 n TRP 150 N 0.28 0.53 -4.65 0.54 8.01 -1.26 -4.66 117.44 116.23 1pd5 n TRP 150 Ca 0.11 0.17 -0.23 0.00 -1.31 0.00 0.00 57.50 56.24 1pd5 n TRP 150 Cb 0.56 -0.85 -0.15 0.00 -2.01 0.00 0.00 31.31 28.86 1pd5 n TRP 150 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.69 177.22 1pd5 s VAL 151 N -3.19 1.14 -1.23 -0.99 0.11 -1.25 -4.94 120.40 110.05 1pd5 s VAL 151 Ca -0.05 -0.59 -0.10 0.00 -2.93 0.00 0.00 61.98 58.31 1pd5 s VAL 151 Cb 0.10 -0.97 0.19 0.00 -1.53 0.00 0.00 36.38 34.17 1pd5 s VAL 151 CO 0.84 0.33 1.65 -1.20 -3.33 0.00 0.00 175.10 173.39 1pd5 n SER 152 N 2.94 5.27 -4.77 3.54 7.64 -1.26 0.22 113.62 127.21 1pd5 n SER 152 Ca -0.16 -3.09 -0.36 0.00 1.01 0.00 0.00 58.87 56.27 1pd5 n SER 152 Cb 0.54 -1.49 0.01 0.00 -1.01 0.00 0.00 64.21 62.27 1pd5 n SER 152 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1pd5 s PHE 153 N 0.43 2.62 -0.11 1.43 -0.12 -1.26 -4.92 117.98 116.05 1pd5 s PHE 153 Ca 0.40 1.53 0.15 0.00 -0.05 0.00 0.00 56.93 58.95 1pd5 s PHE 153 Cb 0.04 -3.39 -0.21 0.00 -0.63 0.00 0.00 43.02 38.83 1pd5 s PHE 153 CO 0.01 -1.80 0.15 -2.37 -0.05 0.00 0.00 175.22 171.16 1pd5 n THR 154 N -1.18 0.73 -4.10 -4.49 5.66 -1.26 -4.55 114.28 105.08 1pd5 n THR 154 Ca 0.11 -0.57 -0.18 0.00 -3.05 0.00 0.00 64.05 60.37 1pd5 n THR 154 Cb 0.50 -0.37 -0.16 0.00 -1.55 0.00 0.00 70.33 68.75 1pd5 n THR 154 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1pd5 s SER 155 N -4.59 0.67 -0.07 1.09 0.15 -1.26 -4.85 113.70 104.84 1pd5 s SER 155 Ca -0.07 -0.09 0.01 0.00 0.70 0.00 0.00 55.95 56.51 1pd5 s SER 155 Cb 0.06 -0.26 0.02 0.00 -1.71 0.00 0.00 66.02 64.14 1pd5 s SER 155 CO 0.65 -0.03 -0.09 0.12 1.20 0.00 0.00 173.24 175.09 1pd5 s PHE 156 N 0.59 1.25 -0.07 3.44 5.36 -1.26 -5.14 117.98 122.15 1pd5 s PHE 156 Ca -0.07 -0.47 -0.03 0.00 -0.96 0.00 0.00 56.93 55.40 1pd5 s PHE 156 Cb -0.10 -0.98 0.04 0.00 -0.34 0.00 0.00 43.02 41.64 1pd5 s PHE 156 CO -0.00 -0.29 0.11 -0.51 -1.46 0.00 0.00 175.22 173.06 1pd5 s ASP 157 N 0.94 0.99 -0.26 6.13 1.01 -1.26 -4.76 116.67 119.45 1pd5 s ASP 157 Ca -0.10 0.18 -0.19 0.00 0.71 0.00 0.00 52.55 53.15 1pd5 s ASP 157 Cb -0.15 0.07 -0.02 0.00 1.01 0.00 0.00 42.92 43.83 1pd5 s ASP 157 CO 0.01 -0.25 0.56 -0.22 0.21 0.00 0.00 175.17 175.47 1pd5 s LEU 158 N 2.23 4.06 -0.49 1.23 1.98 -1.26 -5.02 118.68 121.42 1pd5 s LEU 158 Ca 0.04 0.58 0.02 0.00 -2.89 0.00 0.00 54.13 51.88 1pd5 s LEU 158 Cb -0.12 -2.73 0.13 0.00 0.66 0.00 0.00 46.19 44.12 1pd5 s LEU 158 CO -0.05 -0.32 0.24 0.21 -1.89 0.00 0.00 176.35 174.54 1pd5 s ASN 159 N 1.52 4.70 0.02 3.68 2.47 -1.26 -4.96 114.94 121.11 1pd5 s ASN 159 Ca 0.23 -2.68 -0.30 0.00 0.42 0.00 0.00 52.86 50.53 1pd5 s ASN 159 Cb -0.16 -1.70 -0.04 0.00 -1.45 0.00 0.00 41.25 37.91 1pd5 s ASN 159 CO 0.09 -0.33 1.03 -0.69 -3.72 0.00 0.00 177.10 173.48 1pd5 s VAL 160 N 0.19 4.66 0.34 -5.21 1.01 -1.26 -4.96 120.40 115.16 1pd5 s VAL 160 Ca 0.15 1.92 0.02 0.00 0.00 0.00 0.00 61.98 64.07 1pd5 s VAL 160 Cb -0.23 -4.23 0.22 0.00 0.00 0.00 0.00 36.38 32.14 1pd5 s VAL 160 CO -0.03 0.16 1.95 0.00 0.00 0.00 0.00 175.10 177.18 1pd5 h ALA 161 N 6.73 1.46 -3.39 5.51 0.00 -2.06 -3.40 119.26 124.11 1pd5 h ALA 161 Ca -0.41 -0.10 -0.63 0.00 0.00 0.00 0.00 54.91 53.77 1pd5 h ALA 161 Cb 1.22 -0.22 -0.40 0.00 0.00 0.00 0.00 17.79 18.39 1pd5 h ALA 161 CO 0.76 0.44 -0.72 -0.80 0.00 0.00 0.00 179.25 178.93 1pd5 s ASN 162 N -6.56 4.33 0.00 0.00 0.01 -1.26 -4.97 114.94 106.49 1pd5 s ASN 162 Ca -0.09 -2.21 0.28 0.00 -0.71 0.00 0.00 52.86 50.12 1pd5 s ASN 162 Cb 0.17 -1.33 1.03 0.00 0.41 0.00 0.00 41.25 41.53 1pd5 s ASN 162 CO 0.77 -0.35 1.75 1.15 -1.51 0.00 0.00 177.10 178.91 1pd5 n MET 163 N 4.14 0.49 -1.47 -0.60 0.00 -1.26 -4.79 117.12 113.64 1pd5 n MET 163 Ca 0.03 -0.20 -0.52 0.00 0.00 0.00 0.00 57.70 57.01 1pd5 n MET 163 Cb 0.39 -1.50 -0.07 0.00 0.00 0.00 0.00 33.22 32.04 1pd5 n MET 163 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1pd5 n ASP 164 N -1.08 2.11 -0.47 3.17 8.00 -1.26 -0.97 116.55 126.04 1pd5 n ASP 164 Ca 0.12 0.52 -0.06 0.00 0.71 0.00 0.00 54.79 56.07 1pd5 n ASP 164 Cb 0.31 -1.23 -0.03 0.00 -0.02 0.00 0.00 41.12 40.15 1pd5 n ASP 164 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1pd5 n ASN 165 N 9.11 -4.66 -4.44 -2.24 3.02 -1.26 -4.93 115.26 109.87 1pd5 n ASN 165 Ca 0.40 0.15 -0.44 0.00 -0.03 0.00 0.00 54.58 54.66 1pd5 n ASN 165 Cb 0.20 -2.70 -0.02 0.00 -0.61 0.00 0.00 39.78 36.65 1pd5 n ASN 165 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1pd5 s PHE 166 N -1.92 3.23 -0.90 3.10 5.36 -0.15 -4.64 117.98 122.06 1pd5 s PHE 166 Ca 0.00 -1.52 0.08 0.00 -0.96 0.00 0.00 56.93 54.53 1pd5 s PHE 166 Cb 0.00 -4.23 0.04 0.00 -0.34 0.00 0.00 43.02 38.49 1pd5 s PHE 166 CO 0.00 -1.42 0.67 1.19 -1.46 0.00 0.00 175.22 174.20 1pd5 n PHE 167 N 6.16 0.00 -2.51 10.12 3.72 -1.26 -4.39 117.46 129.31 1pd5 n PHE 167 Ca 0.24 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.21 1pd5 n PHE 167 Cb 0.48 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.00 1pd5 n PHE 167 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1pd5 s ALA 168 N -0.89 3.41 0.21 4.37 0.00 -1.26 -4.69 121.76 122.90 1pd5 s ALA 168 Ca 0.08 0.65 -0.30 0.00 0.00 0.00 0.00 51.96 52.40 1pd5 s ALA 168 Cb 0.07 -3.46 -0.09 0.00 0.00 0.00 0.00 23.12 19.64 1pd5 s ALA 168 CO 0.14 -0.58 1.19 -2.14 0.00 0.00 0.00 175.76 174.37 1pd5 s PRO 169 N 1.69 4.51 -0.22 0.00 0.02 -1.26 -4.83 135.00 134.91 1pd5 s PRO 169 Ca 0.55 1.89 -0.05 0.00 0.02 0.00 0.00 61.00 63.41 1pd5 s PRO 169 Cb -0.25 -3.22 -0.01 0.00 0.02 0.00 0.00 34.50 31.04 1pd5 s PRO 169 CO 0.24 -0.04 -0.02 0.08 -0.33 0.00 0.00 177.00 176.94 1pd5 s VAL 170 N -0.35 3.61 -0.03 3.83 1.01 -1.06 -0.45 120.40 126.96 1pd5 s VAL 170 Ca 0.51 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 62.05 1pd5 s VAL 170 Cb -0.33 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1pd5 s VAL 170 CO 0.39 0.41 0.16 -0.36 0.00 0.00 0.00 175.10 175.69 1pd5 s PHE 171 N 1.47 3.52 -0.19 5.22 0.40 0.19 -1.03 117.98 127.55 1pd5 s PHE 171 Ca 0.05 0.36 0.01 0.00 -0.60 0.00 0.00 56.93 56.75 1pd5 s PHE 171 Cb -0.14 -1.83 0.02 0.00 0.51 0.00 0.00 43.02 41.57 1pd5 s PHE 171 CO -0.01 0.65 -0.19 0.99 0.70 0.00 0.00 175.22 177.36 1pd5 s THR 172 N -1.26 2.15 -0.28 0.64 2.01 0.10 -0.83 115.64 118.17 1pd5 s THR 172 Ca 0.25 -0.95 -0.17 0.00 0.31 0.00 0.00 61.69 61.13 1pd5 s THR 172 Cb -0.12 -1.92 -0.03 0.00 0.01 0.00 0.00 72.50 70.44 1pd5 s THR 172 CO 0.16 0.51 0.45 -0.04 -0.69 0.00 0.00 174.62 175.01 1pd5 s MET 173 N 1.29 3.95 0.26 4.92 -1.94 -0.36 -1.65 119.30 125.77 1pd5 s MET 173 Ca 0.04 0.10 0.00 0.00 -1.71 0.00 0.00 55.69 54.12 1pd5 s MET 173 Cb -0.13 -3.69 0.05 0.00 2.01 0.00 0.00 34.83 33.07 1pd5 s MET 173 CO -0.12 -0.38 0.35 0.41 -0.01 0.00 0.00 175.02 175.27 1pd5 n GLY 174 N 4.60 0.81 3.64 -0.03 0.00 -0.34 0.11 105.19 113.98 1pd5 n GLY 174 Ca -0.06 -1.99 -0.41 0.00 0.00 0.00 0.00 46.02 43.55 1pd5 n GLY 174 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pd5 s LYS 175 N -3.33 4.17 0.42 1.61 2.20 0.13 -4.60 119.74 120.34 1pd5 s LYS 175 Ca 0.24 0.77 -0.22 0.00 -0.36 0.00 0.00 55.97 56.40 1pd5 s LYS 175 Cb -0.01 -3.63 -0.11 0.00 -1.51 0.00 0.00 37.83 32.57 1pd5 s LYS 175 CO 0.16 -0.43 0.96 1.52 -0.36 0.00 0.00 175.35 177.19 1pd5 s TYR 176 N 2.54 3.35 0.09 4.03 -0.85 -1.26 -4.17 117.35 121.08 1pd5 s TYR 176 Ca 0.31 1.63 -0.05 0.00 -0.52 0.00 0.00 57.07 58.45 1pd5 s TYR 176 Cb -0.16 -2.88 -0.02 0.00 0.38 0.00 0.00 41.96 39.29 1pd5 s TYR 176 CO 0.08 -0.11 0.09 1.52 -1.52 0.00 0.00 175.55 175.62 1pd5 s TYR 177 N -2.08 0.43 0.22 -3.49 -0.85 -0.03 -4.99 117.35 106.56 1pd5 s TYR 177 Ca 0.60 -0.89 -0.27 0.00 -0.52 0.00 0.00 57.07 56.00 1pd5 s TYR 177 Cb -0.11 -0.25 -0.09 0.00 0.38 0.00 0.00 41.96 41.89 1pd5 s TYR 177 CO 0.15 -0.50 0.85 0.99 -1.52 0.00 0.00 175.55 175.53 1pd5 s THR 178 N -3.92 4.26 -0.29 -3.49 2.01 -1.26 -2.14 115.64 110.81 1pd5 s THR 178 Ca 0.10 1.82 -0.17 0.00 0.31 0.00 0.00 61.69 63.75 1pd5 s THR 178 Cb 0.06 -4.17 0.13 0.00 0.01 0.00 0.00 72.50 68.53 1pd5 s THR 178 CO -0.08 0.44 0.92 0.00 -0.69 0.00 0.00 174.62 175.21 1pd5 s GLN 179 N -1.34 0.47 4.38 4.92 1.03 -0.37 -5.00 119.66 123.75 1pd5 s GLN 179 Ca 0.40 0.78 0.00 0.00 0.04 0.00 0.00 55.36 56.57 1pd5 s GLN 179 Cb -0.23 0.11 0.00 0.00 0.03 0.00 0.00 33.01 32.92 1pd5 s GLN 179 CO 0.28 -0.09 0.00 0.41 -2.54 0.00 0.00 175.29 173.34 1pd5 n GLY 180 N 3.67 1.41 0.13 2.60 0.00 -1.26 -1.67 105.19 110.07 1pd5 n GLY 180 Ca -0.18 -0.56 0.10 0.00 0.00 0.00 0.00 46.02 45.37 1pd5 n GLY 180 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pd5 n ASP 181 N -2.09 0.50 -4.86 1.61 10.43 -1.26 -4.89 116.55 116.00 1pd5 n ASP 181 Ca 0.00 0.70 -0.34 0.00 2.57 0.00 0.00 54.79 57.72 1pd5 n ASP 181 Cb 0.00 -0.78 -0.06 0.00 1.84 0.00 0.00 41.12 42.13 1pd5 n ASP 181 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1pd5 s LYS 182 N -3.41 3.31 -0.30 -1.24 3.01 -0.67 -5.04 119.74 115.41 1pd5 s LYS 182 Ca -0.00 -0.36 -0.05 0.00 -1.01 0.00 0.00 55.97 54.55 1pd5 s LYS 182 Cb 0.06 -3.02 0.03 0.00 -1.01 0.00 0.00 37.83 33.89 1pd5 s LYS 182 CO 0.23 0.68 0.04 0.08 0.51 0.00 0.00 175.35 176.88 1pd5 s VAL 183 N -1.25 3.48 0.07 3.17 1.01 -1.26 -1.24 120.40 124.38 1pd5 s VAL 183 Ca 0.25 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 61.23 1pd5 s VAL 183 Cb -0.12 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 1pd5 s VAL 183 CO 0.16 0.01 0.12 -0.76 0.00 0.00 0.00 175.10 174.63 1pd5 s LEU 184 N 1.39 3.99 -0.13 3.92 1.43 -0.91 -0.69 118.68 127.68 1pd5 s LEU 184 Ca -0.01 0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.19 1pd5 s LEU 184 Cb -0.18 -2.64 0.02 0.00 0.03 0.00 0.00 46.19 43.41 1pd5 s LEU 184 CO 0.00 0.17 -0.15 -0.32 0.23 0.00 0.00 176.35 176.28 1pd5 s MET 185 N -2.44 2.33 0.19 1.70 1.75 -0.50 -0.85 119.30 121.48 1pd5 s MET 185 Ca 0.31 -0.59 -0.33 0.00 -1.25 0.00 0.00 55.69 53.84 1pd5 s MET 185 Cb -0.12 -2.03 -0.13 0.00 2.84 0.00 0.00 34.83 35.38 1pd5 s MET 185 CO 0.24 -0.13 1.61 -2.30 -0.65 0.00 0.00 175.02 173.79 1pd5 n PRO 186 N 4.43 2.37 -3.74 4.11 -0.02 -1.26 -0.80 135.00 140.10 1pd5 n PRO 186 Ca -0.18 0.85 -0.26 0.00 -2.02 0.00 0.00 63.50 61.89 1pd5 n PRO 186 Cb 0.51 -2.64 -0.17 0.00 -0.02 0.00 0.00 33.50 31.18 1pd5 n PRO 186 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1pd5 s LEU 187 N 0.87 0.88 -0.06 2.45 2.96 -0.39 -1.20 118.68 124.18 1pd5 s LEU 187 Ca 0.76 -0.51 -0.02 0.00 -0.22 0.00 0.00 54.13 54.14 1pd5 s LEU 187 Cb -0.61 -0.51 -0.04 0.00 0.50 0.00 0.00 46.19 45.53 1pd5 s LEU 187 CO 0.37 -0.26 0.04 0.00 -1.32 0.00 0.00 176.35 175.18 1pd5 s ALA 188 N 1.93 3.45 -0.07 5.97 0.00 -0.66 -0.74 121.76 131.64 1pd5 s ALA 188 Ca 0.02 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.18 1pd5 s ALA 188 Cb -0.15 -1.56 0.02 0.00 0.00 0.00 0.00 23.12 21.42 1pd5 s ALA 188 CO -0.07 0.62 -0.09 -1.50 0.00 0.00 0.00 175.76 174.73 1pd5 s ILE 189 N -1.00 0.90 -0.20 0.00 1.10 -0.38 0.02 121.20 121.64 1pd5 s ILE 189 Ca 0.17 -0.31 -0.05 0.00 -0.51 0.00 0.00 60.65 59.95 1pd5 s ILE 189 Cb -0.12 -0.87 -0.02 0.00 0.15 0.00 0.00 42.46 41.60 1pd5 s ILE 189 CO 0.06 0.31 -0.01 -1.58 -2.11 0.00 0.00 174.94 171.61 1pd5 s GLN 190 N 0.96 3.59 0.17 3.50 -0.44 -0.20 -1.83 119.66 125.41 1pd5 s GLN 190 Ca -0.10 -0.54 0.02 0.00 -2.50 0.00 0.00 55.36 52.24 1pd5 s GLN 190 Cb -0.15 -3.04 -0.05 0.00 -1.64 0.00 0.00 33.01 28.14 1pd5 s GLN 190 CO 0.00 0.02 0.00 0.14 0.50 0.00 0.00 175.29 175.96 1pd5 s VAL 191 N 0.96 0.66 -0.21 1.34 -7.23 -0.29 -2.57 120.40 113.05 1pd5 s VAL 191 Ca 0.01 -1.98 -0.18 0.00 -1.81 0.00 0.00 61.98 58.02 1pd5 s VAL 191 Cb -0.14 -2.11 -0.03 0.00 0.56 0.00 0.00 36.38 34.65 1pd5 s VAL 191 CO 0.02 -0.48 0.52 -2.28 -0.31 0.00 0.00 175.10 172.57 1pd5 s HIS 192 N -3.67 3.35 0.55 2.82 2.46 -1.26 -0.49 115.29 119.04 1pd5 s HIS 192 Ca 0.24 0.76 0.23 0.00 0.47 0.00 0.00 55.06 56.76 1pd5 s HIS 192 Cb 0.06 -2.68 1.45 0.00 -0.13 0.00 0.00 32.58 31.27 1pd5 s HIS 192 CO 0.04 -0.13 2.09 1.25 -2.47 0.00 0.00 174.74 175.51 1pd5 h HIS 193 N 7.55 0.00 0.00 3.88 2.76 -0.35 -0.49 115.15 128.50 1pd5 h HIS 193 Ca -0.33 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 57.78 1pd5 h HIS 193 Cb 1.15 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.10 1pd5 h HIS 193 CO 0.71 0.00 -0.29 0.00 -1.30 0.00 0.00 177.93 177.05 1pd5 h ALA 194 N 1.84 1.48 0.00 5.26 0.00 -1.77 -3.17 119.26 122.90 1pd5 h ALA 194 Ca 0.11 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1pd5 h ALA 194 Cb 0.49 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1pd5 h ALA 194 CO -0.00 0.36 -1.57 1.33 0.00 0.00 0.00 179.25 179.37 1pd5 n VAL 195 N -4.13 0.00 -3.70 0.00 0.24 -0.88 -4.36 118.33 105.50 1pd5 n VAL 195 Ca -0.02 -0.33 -0.18 0.00 -2.04 0.00 0.00 64.34 61.77 1pd5 n VAL 195 Cb 0.34 0.28 -0.17 0.00 -1.47 0.00 0.00 33.84 32.82 1pd5 n VAL 195 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pd5 s ASP 197 N 1.84 4.54 0.22 0.00 1.11 -1.26 -4.12 116.67 119.00 1pd5 s ASP 197 Ca 0.01 -0.46 -0.08 0.00 0.18 0.00 0.00 52.55 52.20 1pd5 s ASP 197 Cb -0.12 0.03 0.28 0.00 1.07 0.00 0.00 42.92 44.18 1pd5 s ASP 197 CO -0.03 -1.73 1.82 1.23 1.18 0.00 0.00 175.17 177.64 1pd5 h GLY 198 N -0.35 1.11 0.37 0.21 0.00 -1.99 -2.47 103.07 99.94 1pd5 h GLY 198 Ca -0.35 -0.31 0.07 0.00 0.00 0.00 0.00 47.33 46.74 1pd5 h GLY 198 CO 0.40 0.19 -0.06 -2.75 0.00 0.00 0.00 176.54 174.33 1pd5 h PHE 199 N 0.79 -0.13 0.12 5.60 3.04 -1.98 0.22 116.94 124.59 1pd5 h PHE 199 Ca 0.33 0.03 0.02 0.00 3.98 0.00 0.00 57.97 62.33 1pd5 h PHE 199 Cb 0.19 0.11 -0.04 0.00 2.56 0.00 0.00 35.95 38.77 1pd5 h PHE 199 CO -0.06 -0.12 -0.36 0.45 -2.02 0.00 0.00 178.31 176.20 1pd5 h HIS 200 N 0.03 -0.99 -0.70 0.41 -0.00 -1.88 0.15 115.15 112.16 1pd5 h HIS 200 Ca 0.16 0.02 0.09 0.00 -0.00 0.00 0.00 60.37 60.64 1pd5 h HIS 200 Cb 0.24 0.42 -0.05 0.00 -0.00 0.00 0.00 27.41 28.03 1pd5 h HIS 200 CO -0.29 -0.46 0.46 0.28 -0.00 0.00 0.00 177.93 177.92 1pd5 h VAL 201 N -0.59 0.95 0.08 2.45 2.07 -1.19 -1.85 116.25 118.18 1pd5 h VAL 201 Ca 0.03 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 1pd5 h VAL 201 Cb 0.62 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1pd5 h VAL 201 CO -0.21 0.11 -0.04 1.23 0.02 0.00 0.00 177.57 178.68 1pd5 h GLY 202 N 0.62 -0.12 0.00 2.17 0.00 0.35 0.54 103.07 106.63 1pd5 h GLY 202 Ca 0.32 0.04 0.10 0.00 0.00 0.00 0.00 47.33 47.79 1pd5 h GLY 202 CO -0.11 -0.04 -0.14 -0.09 0.00 0.00 0.00 176.54 176.16 1pd5 h ARG 203 N -0.86 -0.03 0.26 4.80 2.43 -0.72 0.41 114.38 120.68 1pd5 h ARG 203 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1pd5 h ARG 203 Cb 0.59 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 1pd5 h ARG 203 CO 0.02 -0.02 -0.25 1.98 -1.51 0.00 0.00 179.97 180.20 1pd5 h MET 204 N -0.03 -0.51 -0.84 0.20 4.05 -1.19 1.29 114.93 117.91 1pd5 h MET 204 Ca 0.23 0.04 0.06 0.00 -0.28 0.00 0.00 59.70 59.74 1pd5 h MET 204 Cb 0.38 0.12 -0.06 0.00 -0.80 0.00 0.00 31.60 31.24 1pd5 h MET 204 CO -0.51 -0.34 0.52 -0.07 0.23 0.00 0.00 176.91 176.74 1pd5 h LEU 205 N -0.53 0.81 -0.30 3.39 3.38 0.15 0.51 115.31 122.72 1pd5 h LEU 205 Ca -0.01 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1pd5 h LEU 205 Cb 0.49 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1pd5 h LEU 205 CO -0.05 0.52 0.11 0.78 0.09 0.00 0.00 178.44 179.89 1pd5 h ASN 206 N 0.95 0.43 -0.51 -0.43 2.35 -0.03 -2.65 115.58 115.68 1pd5 h ASN 206 Ca 0.36 -0.19 0.03 0.00 -0.55 0.00 0.00 56.30 55.95 1pd5 h ASN 206 Cb 0.16 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 1pd5 h ASN 206 CO -0.17 0.50 0.34 -0.33 -1.65 0.00 0.00 177.43 176.12 1pd5 h GLU 207 N 0.33 0.58 -0.31 0.81 5.08 0.25 -0.65 114.58 120.67 1pd5 h GLU 207 Ca 0.10 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1pd5 h GLU 207 Cb 0.21 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1pd5 h GLU 207 CO -0.01 0.39 0.15 1.25 -1.00 0.00 0.00 179.01 179.79 1pd5 h LEU 208 N 0.60 0.21 -0.94 1.33 5.85 -0.91 0.34 115.31 121.79 1pd5 h LEU 208 Ca 0.20 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.86 1pd5 h LEU 208 Cb 0.06 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1pd5 h LEU 208 CO -0.05 0.16 -0.06 -0.61 -0.34 0.00 0.00 178.44 177.54 1pd5 h GLN 209 N 0.31 0.70 0.23 1.25 5.75 -1.10 0.81 115.11 123.06 1pd5 h GLN 209 Ca 0.13 -0.20 -0.01 0.00 -0.15 0.00 0.00 58.65 58.42 1pd5 h GLN 209 Cb 0.05 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.53 1pd5 h GLN 209 CO -0.10 0.76 -0.11 0.37 -2.65 0.00 0.00 178.83 177.10 1pd5 h GLN 210 N 0.65 -0.29 -0.23 1.69 4.15 -0.85 -1.93 115.11 118.29 1pd5 h GLN 210 Ca 0.12 0.02 -0.19 0.00 0.77 0.00 0.00 58.65 59.37 1pd5 h GLN 210 Cb 0.50 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.25 1pd5 h GLN 210 CO 0.03 -0.11 -0.60 1.88 -1.93 0.00 0.00 178.83 178.10 1pd5 h TYR 211 N -0.42 0.99 -0.84 3.99 0.05 -0.18 -1.33 116.97 119.23 1pd5 h TYR 211 Ca -0.03 -0.37 0.07 0.00 0.05 0.00 0.00 58.73 58.45 1pd5 h TYR 211 Cb 0.32 -0.18 -0.05 0.00 1.01 0.00 0.00 36.73 37.83 1pd5 h TYR 211 CO -0.03 1.18 0.55 0.00 -1.05 0.00 0.00 178.16 178.81 1pd5 h ASP 213 N 0.92 0.00 0.00 0.00 3.32 -0.79 -2.90 116.42 116.96 1pd5 h ASP 213 Ca 0.37 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.35 1pd5 h ASP 213 Cb 0.25 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 1pd5 h ASP 213 CO -0.13 0.02 -1.80 -0.62 -1.72 0.00 0.00 179.24 174.98 1pd5 n GLU 214 N -2.66 0.58 0.00 3.56 1.02 -0.55 -4.86 120.64 117.73 1pd5 n GLU 214 Ca 0.03 -0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 1pd5 n GLU 214 Cb 0.51 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 1pd5 n GLU 214 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18