#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pd5 s LYS 4 N 0.00 4.26 -0.09 1.97 3.01 -1.26 -5.07 119.74 122.56 1pd5 s LYS 4 Ca 0.00 0.82 -0.09 0.00 -1.01 0.00 0.00 55.97 55.69 1pd5 s LYS 4 Cb 0.00 -3.57 -0.04 0.00 -1.01 0.00 0.00 37.83 33.21 1pd5 s LYS 4 CO 0.00 -0.27 0.20 0.42 0.51 0.00 0.00 175.35 176.22 1pd5 s ILE 5 N 1.97 5.40 0.29 2.17 1.09 -1.26 -5.11 121.20 125.74 1pd5 s ILE 5 Ca 0.34 0.34 0.08 0.00 -1.10 0.00 0.00 60.65 60.30 1pd5 s ILE 5 Cb -0.16 -3.48 -0.03 0.00 -1.06 0.00 0.00 42.46 37.73 1pd5 s ILE 5 CO 0.12 0.60 0.20 0.42 -0.10 0.00 0.00 174.94 176.17 1pd5 s THR 6 N -1.06 3.86 0.00 2.92 -4.23 -1.26 -5.12 115.64 110.76 1pd5 s THR 6 Ca 0.18 -1.48 0.00 0.00 -1.18 0.00 0.00 61.69 59.20 1pd5 s THR 6 Cb -0.13 -3.22 0.00 0.00 1.34 0.00 0.00 72.50 70.49 1pd5 s THR 6 CO 0.07 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 1pd5 n GLY 7 N -1.21 3.55 3.55 3.99 0.00 -1.26 -4.92 105.19 108.88 1pd5 n GLY 7 Ca -0.05 -2.14 -0.07 0.00 0.00 0.00 0.00 46.02 43.75 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 0.26 -0.26 -0.07 1.61 -0.85 -1.26 0.83 117.35 117.61 1pd5 s TYR 8 Ca 0.00 0.23 0.01 0.00 -0.52 0.00 0.00 57.07 56.80 1pd5 s TYR 8 Cb 0.00 0.51 0.02 0.00 0.38 0.00 0.00 41.96 42.87 1pd5 s TYR 8 CO 0.00 -0.37 -0.09 0.95 -1.52 0.00 0.00 175.55 174.52 1pd5 s THR 9 N -2.43 0.91 0.23 -3.49 -4.23 0.23 -4.96 115.64 101.91 1pd5 s THR 9 Ca 0.05 -0.32 -0.32 0.00 -1.18 0.00 0.00 61.69 59.93 1pd5 s THR 9 Cb -0.01 -0.88 -0.13 0.00 1.34 0.00 0.00 72.50 72.82 1pd5 s THR 9 CO -0.06 0.32 1.54 0.41 -0.54 0.00 0.00 174.62 176.29 1pd5 n THR 10 N 4.12 0.60 -3.13 3.99 -1.04 -1.26 0.39 114.28 117.95 1pd5 n THR 10 Ca -0.21 -0.15 -0.40 0.00 -2.04 0.00 0.00 64.05 61.25 1pd5 n THR 10 Cb 0.51 -1.68 -0.06 0.00 -1.82 0.00 0.00 70.33 67.28 1pd5 n THR 10 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1pd5 s VAL 11 N 0.36 5.03 -0.82 12.58 1.01 -0.55 -4.85 120.40 133.16 1pd5 s VAL 11 Ca 0.71 1.16 -0.25 0.00 0.00 0.00 0.00 61.98 63.60 1pd5 s VAL 11 Cb -0.60 -3.93 0.02 0.00 0.00 0.00 0.00 36.38 31.86 1pd5 s VAL 11 CO 0.44 0.12 1.53 -0.62 0.00 0.00 0.00 175.10 176.57 1pd5 s ASP 12 N 1.18 5.96 0.11 3.32 3.68 -1.26 -4.82 116.67 124.84 1pd5 s ASP 12 Ca 0.28 -0.63 -0.14 0.00 2.13 0.00 0.00 52.55 54.18 1pd5 s ASP 12 Cb -0.16 -2.56 -0.06 0.00 -1.45 0.00 0.00 42.92 38.69 1pd5 s ASP 12 CO 0.10 -1.96 1.47 0.40 0.13 0.00 0.00 175.17 175.31 1pd5 h ILE 13 N 6.58 1.29 0.00 4.11 2.04 -1.96 -1.51 117.51 128.06 1pd5 h ILE 13 Ca -0.08 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 64.44 1pd5 h ILE 13 Cb 1.05 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 38.56 1pd5 h ILE 13 CO 1.30 0.44 0.08 0.77 0.00 0.00 0.00 178.15 180.74 1pd5 h SER 14 N 0.50 0.00 -0.62 1.72 4.64 -2.00 0.35 113.55 118.13 1pd5 h SER 14 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1pd5 h SER 14 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1pd5 h SER 14 CO 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.02 1pd5 n GLN 15 N -2.60 2.66 -3.20 4.77 1.13 -0.59 -4.98 117.38 114.58 1pd5 n GLN 15 Ca -0.02 -2.54 -0.39 0.00 -1.94 0.00 0.00 57.00 52.11 1pd5 n GLN 15 Cb 0.13 -1.54 -0.06 0.00 0.11 0.00 0.00 30.24 28.87 1pd5 n GLN 15 CO 0.00 0.00 0.00 -0.46 -1.44 0.00 0.00 177.06 175.16 1pd5 s TRP 16 N -1.13 3.40 0.61 1.08 -0.00 0.12 -4.94 118.94 118.08 1pd5 s TRP 16 Ca 0.45 0.86 0.28 0.00 -0.00 0.00 0.00 56.10 57.70 1pd5 s TRP 16 Cb 0.24 -2.71 1.43 0.00 -0.00 0.00 0.00 33.47 32.43 1pd5 s TRP 16 CO 0.32 -0.09 1.84 0.45 -0.00 0.00 0.00 176.95 179.47 1pd5 h HIS 17 N 7.36 0.00 -0.61 5.86 3.86 -1.93 -1.14 115.15 128.55 1pd5 h HIS 17 Ca -0.34 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.87 1pd5 h HIS 17 Cb 1.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.62 1pd5 h HIS 17 CO 0.69 0.00 0.00 0.54 0.86 0.00 0.00 177.93 180.02 1pd5 n ARG 18 N -3.50 2.65 -0.32 2.45 1.74 -1.26 -4.56 116.66 113.86 1pd5 n ARG 18 Ca 0.07 -2.52 0.20 0.00 -0.77 0.00 0.00 57.85 54.84 1pd5 n ARG 18 Cb 0.68 -1.54 0.42 0.00 -1.02 0.00 0.00 32.46 31.00 1pd5 n ARG 18 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 1pd5 h LYS 19 N 4.26 0.27 -0.22 5.56 5.09 -1.45 0.12 116.57 130.20 1pd5 h LYS 19 Ca 0.00 -0.02 -0.06 0.00 0.09 0.00 0.00 60.65 60.67 1pd5 h LYS 19 Cb 0.98 -0.06 -0.01 0.00 0.10 0.00 0.00 32.23 33.24 1pd5 h LYS 19 CO 0.00 0.18 -0.08 1.49 -2.09 0.00 0.00 179.45 178.94 1pd5 h GLU 20 N 0.28 0.45 -0.62 0.07 4.81 -1.85 -2.68 114.58 115.04 1pd5 h GLU 20 Ca 0.68 -0.19 0.10 0.00 -0.13 0.00 0.00 59.36 59.83 1pd5 h GLU 20 Cb 1.50 -0.02 -0.08 0.00 0.63 0.00 0.00 28.75 30.79 1pd5 h GLU 20 CO -0.63 0.71 0.22 0.45 -0.73 0.00 0.00 179.01 179.02 1pd5 h HIS 21 N 0.17 0.37 -0.51 0.92 3.86 -1.51 -1.24 115.15 117.21 1pd5 h HIS 21 Ca 0.05 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.32 1pd5 h HIS 21 Cb 0.56 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 28.93 1pd5 h HIS 21 CO 0.06 0.07 0.29 0.35 0.86 0.00 0.00 177.93 179.56 1pd5 h PHE 22 N 0.38 0.55 0.00 2.45 3.04 -0.62 0.58 116.94 123.33 1pd5 h PHE 22 Ca 0.32 0.02 -0.14 0.00 3.98 0.00 0.00 57.97 62.15 1pd5 h PHE 22 Cb 0.43 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 38.74 1pd5 h PHE 22 CO -0.18 0.31 -0.71 0.93 -2.02 0.00 0.00 178.31 176.63 1pd5 h GLU 23 N 0.59 0.00 0.03 1.11 5.08 -1.11 -1.93 114.58 118.35 1pd5 h GLU 23 Ca 0.21 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1pd5 h GLU 23 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1pd5 h GLU 23 CO -0.10 0.62 -0.02 0.00 -1.00 0.00 0.00 179.01 178.52 1pd5 h ALA 24 N 1.35 -0.04 0.00 3.43 0.00 -0.85 -3.05 119.26 120.10 1pd5 h ALA 24 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1pd5 h ALA 24 Cb 1.51 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1pd5 h ALA 24 CO 0.08 -0.29 0.00 1.19 0.00 0.00 0.00 179.25 180.24 1pd5 n PHE 25 N -4.89 0.00 0.78 0.00 3.01 0.16 -1.34 117.46 115.19 1pd5 n PHE 25 Ca -0.08 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.46 1pd5 n PHE 25 Cb 0.25 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.61 1pd5 n PHE 25 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1pd5 n GLN 26 N -0.89 0.83 0.00 -1.08 1.13 -0.74 -3.99 117.38 112.63 1pd5 n GLN 26 Ca 0.12 -0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.16 1pd5 n GLN 26 Cb 0.05 -1.39 0.00 0.00 0.11 0.00 0.00 30.24 29.02 1pd5 n GLN 26 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1pd5 n SER 27 N -1.52 0.48 0.00 1.08 3.41 -0.45 -4.85 113.62 111.78 1pd5 n SER 27 Ca 0.03 -0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 1pd5 n SER 27 Cb 0.31 0.49 0.00 0.00 -0.26 0.00 0.00 64.21 64.75 1pd5 n SER 27 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1pd5 n VAL 28 N -0.54 0.00 1.81 -3.33 0.24 -0.83 -4.67 118.33 111.02 1pd5 n VAL 28 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1pd5 n VAL 28 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1pd5 n VAL 28 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pd5 n ALA 29 N -1.80 2.49 -1.52 2.33 0.00 -0.98 -4.93 120.51 116.10 1pd5 n ALA 29 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 53.44 52.96 1pd5 n ALA 29 Cb 0.00 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.40 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 -0.41 1.51 -4.31 0.00 7.27 -1.24 -4.71 117.38 115.48 1pd5 n GLN 30 Ca 0.00 0.43 -0.16 0.00 0.07 0.00 0.00 57.00 57.33 1pd5 n GLN 30 Cb 0.04 -2.76 -0.10 0.00 2.41 0.00 0.00 30.24 29.83 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 -3.33 3.54 0.12 0.00 -1.32 -1.26 -1.63 115.64 111.76 1pd5 s THR 32 Ca 0.24 -1.80 -0.06 0.00 -1.21 0.00 0.00 61.69 58.86 1pd5 s THR 32 Cb 0.04 -2.87 -0.02 0.00 -1.51 0.00 0.00 72.50 68.14 1pd5 s THR 32 CO 0.06 -0.33 0.15 -0.72 -2.21 0.00 0.00 174.62 171.58 1pd5 s TYR 33 N -2.20 0.47 0.07 9.09 -0.85 0.14 -4.86 117.35 119.20 1pd5 s TYR 33 Ca 0.31 -0.88 0.06 0.00 -0.52 0.00 0.00 57.07 56.04 1pd5 s TYR 33 Cb -0.07 -0.21 -0.03 0.00 0.38 0.00 0.00 41.96 42.03 1pd5 s TYR 33 CO 0.20 -0.57 -0.17 -0.80 -1.52 0.00 0.00 175.55 172.68 1pd5 s ASN 34 N -2.95 2.08 -0.03 -0.18 -0.87 -1.26 -1.61 114.94 110.11 1pd5 s ASN 34 Ca 0.14 -0.60 -0.14 0.00 -1.57 0.00 0.00 52.86 50.69 1pd5 s ASN 34 Cb 0.05 -0.11 0.02 0.00 -0.02 0.00 0.00 41.25 41.20 1pd5 s ASN 34 CO -0.04 0.02 0.30 0.00 -2.57 0.00 0.00 177.10 174.81 1pd5 s GLN 35 N -1.64 0.60 0.01 -0.60 -2.07 -1.12 -5.01 119.66 109.84 1pd5 s GLN 35 Ca 0.03 -0.09 0.06 0.00 -1.82 0.00 0.00 55.36 53.53 1pd5 s GLN 35 Cb -0.09 0.27 -0.02 0.00 -1.09 0.00 0.00 33.01 32.08 1pd5 s GLN 35 CO 0.03 -0.15 -0.18 0.99 -1.32 0.00 0.00 175.29 174.65 1pd5 s THR 36 N -1.06 1.44 0.19 3.63 2.01 -1.26 -1.59 115.64 118.99 1pd5 s THR 36 Ca -0.11 -0.92 0.06 0.00 0.31 0.00 0.00 61.69 61.03 1pd5 s THR 36 Cb -0.05 -1.23 -0.05 0.00 0.01 0.00 0.00 72.50 71.19 1pd5 s THR 36 CO 0.03 0.29 -0.12 0.54 -0.69 0.00 0.00 174.62 174.67 1pd5 s VAL 37 N -0.59 1.48 -0.66 3.82 0.11 0.66 -4.95 120.40 120.28 1pd5 s VAL 37 Ca 0.06 -2.14 -0.11 0.00 -2.93 0.00 0.00 61.98 56.86 1pd5 s VAL 37 Cb -0.08 -2.01 0.17 0.00 -1.53 0.00 0.00 36.38 32.94 1pd5 s VAL 37 CO 0.00 -0.62 0.56 -1.10 -3.33 0.00 0.00 175.10 170.61 1pd5 s GLN 38 N -3.70 3.04 0.26 1.54 -1.52 -1.26 -0.09 119.66 117.93 1pd5 s GLN 38 Ca 0.21 -2.18 -0.30 0.00 -1.95 0.00 0.00 55.36 51.14 1pd5 s GLN 38 Cb 0.01 -4.16 -0.09 0.00 -0.22 0.00 0.00 33.01 28.55 1pd5 s GLN 38 CO 0.05 -1.25 1.17 -0.51 -0.25 0.00 0.00 175.29 174.49 1pd5 s LEU 39 N 0.66 4.50 -0.37 2.90 1.43 0.11 -4.73 118.68 123.17 1pd5 s LEU 39 Ca 0.12 2.33 -0.22 0.00 -1.03 0.00 0.00 54.13 55.34 1pd5 s LEU 39 Cb -0.19 -3.62 0.01 0.00 0.03 0.00 0.00 46.19 42.41 1pd5 s LEU 39 CO -0.04 -0.29 0.72 -0.62 0.23 0.00 0.00 176.35 176.35 1pd5 s ASP 40 N -0.46 6.49 -0.15 2.29 3.68 -1.26 0.24 116.67 127.50 1pd5 s ASP 40 Ca 0.48 0.24 0.14 0.00 2.13 0.00 0.00 52.55 55.54 1pd5 s ASP 40 Cb -0.34 -2.37 0.36 0.00 -1.45 0.00 0.00 42.92 39.13 1pd5 s ASP 40 CO 0.42 -0.69 1.18 2.30 0.13 0.00 0.00 175.17 178.51 1pd5 n ILE 41 N 5.72 1.69 0.10 4.11 -5.35 0.10 -4.74 119.36 120.99 1pd5 n ILE 41 Ca 0.01 -2.49 -0.12 0.00 -0.27 0.00 0.00 62.75 59.88 1pd5 n ILE 41 Cb 0.48 -0.03 -0.05 0.00 -1.74 0.00 0.00 39.64 38.30 1pd5 n ILE 41 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1pd5 h THR 42 N 1.92 0.56 0.10 7.28 2.02 -1.91 1.41 112.91 124.29 1pd5 h THR 42 Ca -0.03 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 1pd5 h THR 42 Cb 1.15 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 1pd5 h THR 42 CO 0.01 0.00 -0.05 0.00 0.37 0.00 0.00 175.52 175.86 1pd5 h ALA 43 N 0.47 -0.13 -0.41 6.16 0.00 -1.89 -1.28 119.26 122.19 1pd5 h ALA 43 Ca 0.03 -0.24 0.08 0.00 0.00 0.00 0.00 54.91 54.78 1pd5 h ALA 43 Cb 0.38 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.13 1pd5 h ALA 43 CO -0.12 -0.31 -0.29 0.35 0.00 0.00 0.00 179.25 178.88 1pd5 h PHE 44 N -0.65 -0.79 -0.07 0.00 3.57 -1.53 -0.48 116.94 116.99 1pd5 h PHE 44 Ca -0.01 0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.58 1pd5 h PHE 44 Cb 0.52 0.41 -0.05 0.00 2.79 0.00 0.00 35.95 39.61 1pd5 h PHE 44 CO 0.09 -0.36 -0.25 1.25 -2.23 0.00 0.00 178.31 176.81 1pd5 h LEU 45 N -0.22 -0.75 -0.04 0.59 6.46 0.21 -2.48 115.31 119.09 1pd5 h LEU 45 Ca 0.18 0.11 0.03 0.00 -0.12 0.00 0.00 57.88 58.09 1pd5 h LEU 45 Cb 0.51 0.32 -0.06 0.00 -0.73 0.00 0.00 40.66 40.71 1pd5 h LEU 45 CO -0.53 -0.30 -0.41 0.11 -0.62 0.00 0.00 178.44 176.68 1pd5 h LYS 46 N -0.34 -0.52 -0.77 1.25 1.57 0.09 0.93 116.57 118.77 1pd5 h LYS 46 Ca 0.08 0.04 0.16 0.00 -1.87 0.00 0.00 60.65 59.06 1pd5 h LYS 46 Cb 0.46 0.12 -0.14 0.00 0.08 0.00 0.00 32.23 32.75 1pd5 h LYS 46 CO -0.27 -0.35 -0.15 1.15 -0.57 0.00 0.00 179.45 179.26 1pd5 h THR 47 N -0.54 0.25 0.22 -0.16 2.02 -1.03 -2.34 112.91 111.33 1pd5 h THR 47 Ca 0.06 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 1pd5 h THR 47 Cb 0.64 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1pd5 h THR 47 CO -0.34 0.00 -0.11 0.58 0.37 0.00 0.00 175.52 176.03 1pd5 h VAL 48 N 0.02 0.83 -0.22 3.16 2.07 -0.42 -1.39 116.25 120.30 1pd5 h VAL 48 Ca 0.38 -0.30 0.06 0.00 0.82 0.00 0.00 66.70 67.66 1pd5 h VAL 48 Cb 0.61 1.01 -0.07 0.00 -1.52 0.00 0.00 31.29 31.32 1pd5 h VAL 48 CO -0.77 0.07 -0.32 0.50 0.02 0.00 0.00 177.57 177.07 1pd5 h LYS 49 N -0.45 -0.33 0.38 1.57 1.63 -0.77 -2.04 116.57 116.56 1pd5 h LYS 49 Ca -0.03 0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.77 1pd5 h LYS 49 Cb 0.34 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.05 1pd5 h LYS 49 CO 0.05 -0.22 -0.18 -0.22 -3.45 0.00 0.00 179.45 175.43 1pd5 h LYS 50 N -0.34 -0.49 -7.15 1.90 3.64 -1.40 -3.40 116.57 109.33 1pd5 h LYS 50 Ca 0.12 0.03 -0.40 0.00 -1.27 0.00 0.00 60.65 59.13 1pd5 h LYS 50 Cb 0.54 0.11 0.21 0.00 -0.41 0.00 0.00 32.23 32.68 1pd5 h LYS 50 CO -0.41 -0.18 -0.03 -0.80 -2.27 0.00 0.00 179.45 175.76 1pd5 s ASN 51 N -4.95 -0.26 -0.72 4.20 0.01 -0.53 -4.95 114.94 107.74 1pd5 s ASN 51 Ca -0.14 0.87 0.03 0.00 -0.71 0.00 0.00 52.86 52.91 1pd5 s ASN 51 Cb 0.02 -1.25 0.33 0.00 0.41 0.00 0.00 41.25 40.77 1pd5 s ASN 51 CO 0.53 -4.87 1.23 0.29 -1.51 0.00 0.00 177.10 172.77 1pd5 n LYS 52 N -5.30 3.94 -3.53 -0.60 5.02 -1.26 -4.75 118.16 111.68 1pd5 n LYS 52 Ca 0.11 -4.80 -0.33 0.00 -2.02 0.00 0.00 58.31 51.28 1pd5 n LYS 52 Cb 0.59 -2.31 -0.05 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 -3.75 3.48 0.16 2.13 3.76 -0.77 -5.03 115.29 115.28 1pd5 s HIS 53 Ca 0.46 0.76 -0.31 0.00 -0.15 0.00 0.00 55.06 55.82 1pd5 s HIS 53 Cb 0.25 -2.16 -0.11 0.00 1.11 0.00 0.00 32.58 31.67 1pd5 s HIS 53 CO -0.14 0.39 1.80 0.15 -0.85 0.00 0.00 174.74 176.08 1pd5 s LYS 54 N -2.52 4.13 0.17 1.40 -0.14 -1.26 -4.73 119.74 116.77 1pd5 s LYS 54 Ca 0.42 2.62 -0.16 0.00 -1.36 0.00 0.00 55.97 57.48 1pd5 s LYS 54 Cb -0.12 -3.38 0.10 0.00 -1.68 0.00 0.00 37.83 32.75 1pd5 s LYS 54 CO 0.22 -0.81 1.68 0.35 -0.76 0.00 0.00 175.35 176.03 1pd5 h PHE 55 N 7.86 -0.10 0.18 3.18 3.57 -1.95 -3.12 116.94 126.56 1pd5 h PHE 55 Ca -0.45 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.08 1pd5 h PHE 55 Cb 1.21 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 40.05 1pd5 h PHE 55 CO 0.73 -0.12 -0.12 -0.92 -2.23 0.00 0.00 178.31 175.65 1pd5 h TYR 56 N 0.06 -0.30 -0.07 0.41 3.20 -1.99 0.48 116.97 118.76 1pd5 h TYR 56 Ca 0.19 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.93 1pd5 h TYR 56 Cb 0.29 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 1pd5 h TYR 56 CO -0.30 -0.18 -0.54 -1.00 -1.64 0.00 0.00 178.16 174.49 1pd5 h PRO 57 N -0.29 0.19 -0.28 1.82 0.13 -1.99 -0.81 132.00 130.77 1pd5 h PRO 57 Ca -0.01 -0.12 0.06 0.00 -0.87 0.00 0.00 66.00 65.06 1pd5 h PRO 57 Cb 0.25 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 31.32 1pd5 h PRO 57 CO 0.01 0.69 -0.15 0.00 -0.23 0.00 0.00 178.00 178.32 1pd5 h ALA 58 N 1.29 0.07 -0.19 -0.56 0.00 -1.38 -0.62 119.26 117.86 1pd5 h ALA 58 Ca 0.00 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1pd5 h ALA 58 Cb 1.01 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1pd5 h ALA 58 CO 0.08 -0.55 0.06 0.35 0.00 0.00 0.00 179.25 179.19 1pd5 h PHE 59 N -0.11 0.31 -0.85 0.00 3.57 -0.79 -2.18 116.94 116.89 1pd5 h PHE 59 Ca 0.15 -0.03 0.17 0.00 3.53 0.00 0.00 57.97 61.78 1pd5 h PHE 59 Cb 0.34 -0.09 -0.10 0.00 2.79 0.00 0.00 35.95 38.88 1pd5 h PHE 59 CO -0.34 0.40 0.40 0.82 -2.23 0.00 0.00 178.31 177.37 1pd5 h ILE 60 N 0.13 0.65 -0.49 1.41 2.04 -1.10 -0.15 117.51 120.00 1pd5 h ILE 60 Ca 0.06 -0.18 -0.07 0.00 1.00 0.00 0.00 64.86 65.67 1pd5 h ILE 60 Cb 0.24 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 1pd5 h ILE 60 CO -0.00 0.10 0.04 -0.74 0.00 0.00 0.00 178.15 177.54 1pd5 h HIS 61 N 0.53 0.83 -0.65 1.37 2.76 -0.92 0.76 115.15 119.84 1pd5 h HIS 61 Ca 0.48 -0.10 -0.04 0.00 -2.20 0.00 0.00 60.37 58.51 1pd5 h HIS 61 Cb 0.76 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 29.46 1pd5 h HIS 61 CO -0.12 0.75 0.25 0.82 -1.30 0.00 0.00 177.93 178.33 1pd5 h ILE 62 N 0.75 1.24 -0.04 6.26 2.04 -0.44 -1.14 117.51 126.18 1pd5 h ILE 62 Ca 0.15 -0.76 -0.00 0.00 1.00 0.00 0.00 64.86 65.25 1pd5 h ILE 62 Cb 0.40 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1pd5 h ILE 62 CO 0.01 0.30 0.01 -0.07 0.00 0.00 0.00 178.15 178.40 1pd5 h LEU 63 N 0.91 0.06 -1.73 1.44 3.38 0.40 -1.69 115.31 118.08 1pd5 h LEU 63 Ca 0.21 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1pd5 h LEU 63 Cb 0.22 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1pd5 h LEU 63 CO -0.02 0.26 -0.05 0.00 0.09 0.00 0.00 178.44 178.72 1pd5 h ALA 64 N 0.80 1.78 -0.00 1.53 0.00 0.73 0.29 119.26 124.39 1pd5 h ALA 64 Ca 0.01 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1pd5 h ALA 64 Cb 0.22 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1pd5 h ALA 64 CO -0.00 0.17 -0.45 0.00 0.00 0.00 0.00 179.25 178.97 1pd5 h ARG 65 N 0.11 0.00 -0.00 0.00 3.08 -0.65 -1.80 114.38 115.12 1pd5 h ARG 65 Ca 0.03 -0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.93 1pd5 h ARG 65 Cb 0.16 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.22 1pd5 h ARG 65 CO 0.01 0.45 -0.57 -0.07 -1.07 0.00 0.00 179.97 178.72 1pd5 h LEU 66 N 0.00 0.50 -1.64 3.04 3.38 0.39 -2.80 115.31 118.18 1pd5 h LEU 66 Ca -0.00 -0.76 0.04 0.00 0.09 0.00 0.00 57.88 57.25 1pd5 h LEU 66 Cb 0.79 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 1pd5 h LEU 66 CO 0.06 1.20 0.31 0.24 0.09 0.00 0.00 178.44 180.34 1pd5 h MET 67 N -0.14 0.45 -0.31 1.13 2.86 -1.08 -0.19 114.93 117.64 1pd5 h MET 67 Ca -0.07 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1pd5 h MET 67 Cb 1.28 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.84 1pd5 h MET 67 CO 0.11 0.30 0.00 0.09 1.06 0.00 0.00 176.91 178.47 1pd5 n ASN 68 N -4.48 1.70 -0.09 1.22 3.02 -0.68 -3.30 115.26 112.66 1pd5 n ASN 68 Ca 0.05 -1.99 0.05 0.00 -0.03 0.00 0.00 54.58 52.67 1pd5 n ASN 68 Cb 0.19 -0.21 -0.04 0.00 -0.61 0.00 0.00 39.78 39.11 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 0.43 3.18 -3.67 5.41 0.00 -0.09 -4.96 120.51 120.80 1pd5 n ALA 69 Ca 0.11 -0.35 -0.19 0.00 0.00 0.00 0.00 53.44 53.01 1pd5 n ALA 69 Cb 0.27 -0.38 -0.17 0.00 0.00 0.00 0.00 19.45 19.17 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 -1.78 -0.00 0.43 0.00 3.76 -1.16 -5.01 115.29 111.53 1pd5 s HIS 70 Ca 0.06 0.35 0.29 0.00 -0.15 0.00 0.00 55.06 55.60 1pd5 s HIS 70 Cb 0.08 -0.42 1.53 0.00 1.11 0.00 0.00 32.58 34.89 1pd5 s HIS 70 CO 0.37 -0.21 2.10 -1.00 -0.85 0.00 0.00 174.74 175.15 1pd5 h PRO 71 N 8.41 0.00 0.00 8.40 0.13 -1.93 -1.40 132.00 145.61 1pd5 h PRO 71 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 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 0.15 0.10 0.01 1.05 -0.23 0.00 0.00 178.00 179.07 1pd5 h GLU 72 N 0.00 0.00 -0.32 0.86 9.09 -1.93 -1.99 114.58 120.29 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 0.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.39 1pd5 h GLU 72 CO 0.01 0.00 0.00 1.19 0.05 0.00 0.00 179.01 180.26 1pd5 n PHE 73 N -2.35 0.40 -1.83 2.06 3.01 -0.53 -4.35 117.46 113.89 1pd5 n PHE 73 Ca -0.02 -0.20 0.05 0.00 1.01 0.00 0.00 57.45 58.29 1pd5 n PHE 73 Cb 0.04 0.00 0.10 0.00 -0.01 0.00 0.00 39.48 39.61 1pd5 n PHE 73 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1pd5 n ARG 74 N 1.37 0.73 -1.88 -1.08 1.74 -0.75 -4.53 116.66 112.26 1pd5 n ARG 74 Ca 0.18 -2.29 -0.31 0.00 -0.77 0.00 0.00 57.85 54.66 1pd5 n ARG 74 Cb 0.58 -0.90 0.02 0.00 -1.02 0.00 0.00 32.46 31.14 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 -1.55 3.36 0.11 5.56 -1.94 -1.24 -1.01 119.30 122.58 1pd5 s MET 75 Ca 0.27 0.95 -0.18 0.00 -1.71 0.00 0.00 55.69 55.02 1pd5 s MET 75 Cb 0.28 -2.05 0.04 0.00 2.01 0.00 0.00 34.83 35.11 1pd5 s MET 75 CO -0.06 -0.76 0.43 0.00 -0.01 0.00 0.00 175.02 174.62 1pd5 s ALA 76 N -2.90 -1.05 -0.30 3.03 0.00 -1.05 -4.58 121.76 114.91 1pd5 s ALA 76 Ca 0.58 0.12 -0.23 0.00 0.00 0.00 0.00 51.96 52.44 1pd5 s ALA 76 Cb -0.13 0.63 -0.00 0.00 0.00 0.00 0.00 23.12 23.62 1pd5 s ALA 76 CO 0.47 -0.61 0.75 -1.64 0.00 0.00 0.00 175.76 174.73 1pd5 s MET 77 N -3.46 3.98 0.04 0.00 -1.94 -1.26 -1.37 119.30 115.29 1pd5 s MET 77 Ca 0.01 0.55 0.02 0.00 -1.71 0.00 0.00 55.69 54.56 1pd5 s MET 77 Cb 0.01 -3.72 -0.04 0.00 2.01 0.00 0.00 34.83 33.10 1pd5 s MET 77 CO -0.10 -0.63 0.02 0.21 -0.01 0.00 0.00 175.02 174.52 1pd5 s LYS 78 N 2.84 2.75 0.00 2.03 2.20 -0.77 -4.74 119.74 124.06 1pd5 s LYS 78 Ca 0.31 -0.68 0.00 0.00 -0.36 0.00 0.00 55.97 55.24 1pd5 s LYS 78 Cb -0.14 -2.66 0.00 0.00 -1.51 0.00 0.00 37.83 33.52 1pd5 s LYS 78 CO 0.12 0.59 0.00 -0.25 -0.36 0.00 0.00 175.35 175.45 1pd5 n ASP 79 N 1.00 0.00 0.00 1.43 10.43 -1.26 0.30 116.55 128.45 1pd5 n ASP 79 Ca -0.12 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.24 1pd5 n ASP 79 Cb 0.52 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.48 1pd5 n ASP 79 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1pd5 n GLY 80 N -0.71 0.57 3.15 0.44 0.00 -1.26 -5.06 105.19 102.33 1pd5 n GLY 80 Ca 0.00 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.36 0.41 0.23 1.61 2.02 0.87 -5.12 118.70 117.35 1pd5 s GLU 81 Ca 0.00 0.06 -0.30 0.00 0.02 0.00 0.00 54.97 54.75 1pd5 s GLU 81 Cb 0.00 0.19 -0.09 0.00 0.10 0.00 0.00 34.13 34.33 1pd5 s GLU 81 CO 0.00 -0.08 1.32 -1.17 0.02 0.00 0.00 175.26 175.35 1pd5 s LEU 82 N -0.53 4.42 0.03 1.80 2.96 -1.26 -1.84 118.68 124.26 1pd5 s LEU 82 Ca -0.06 2.47 -0.06 0.00 -0.22 0.00 0.00 54.13 56.26 1pd5 s LEU 82 Cb -0.04 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 43.03 1pd5 s LEU 82 CO 0.01 -0.54 0.11 0.54 -1.32 0.00 0.00 176.35 175.16 1pd5 s VAL 83 N -0.11 0.12 -0.22 1.68 0.11 -0.47 -1.48 120.40 120.04 1pd5 s VAL 83 Ca 0.56 -0.99 -0.08 0.00 -2.93 0.00 0.00 61.98 58.54 1pd5 s VAL 83 Cb -0.37 -0.78 -0.04 0.00 -1.53 0.00 0.00 36.38 33.65 1pd5 s VAL 83 CO 0.41 -0.55 0.08 -0.63 -3.33 0.00 0.00 175.10 171.08 1pd5 s ILE 84 N -2.33 4.68 0.55 7.04 1.01 0.16 -2.54 121.20 129.78 1pd5 s ILE 84 Ca -0.07 -0.06 -0.14 0.00 0.00 0.00 0.00 60.65 60.38 1pd5 s ILE 84 Cb -0.03 -3.15 -0.06 0.00 0.01 0.00 0.00 42.46 39.23 1pd5 s ILE 84 CO -0.03 0.39 0.99 0.26 0.00 0.00 0.00 174.94 176.55 1pd5 s TRP 85 N 0.95 3.52 -0.16 3.97 0.52 -0.18 -0.60 118.94 126.96 1pd5 s TRP 85 Ca 0.04 1.37 0.25 0.00 0.02 0.00 0.00 56.10 57.78 1pd5 s TRP 85 Cb -0.14 -2.74 0.70 0.00 -1.15 0.00 0.00 33.47 30.14 1pd5 s TRP 85 CO 0.03 -0.48 1.73 -0.44 0.02 0.00 0.00 176.95 177.82 1pd5 h ASP 86 N 0.45 0.00 -5.03 2.95 3.45 0.07 -3.44 116.42 114.87 1pd5 h ASP 86 Ca -0.46 0.00 -0.09 0.00 0.43 0.00 0.00 57.03 56.91 1pd5 h ASP 86 Cb 1.19 0.00 -0.18 0.00 -0.56 0.00 0.00 39.33 39.78 1pd5 h ASP 86 CO 0.62 0.09 -0.19 -0.44 -1.57 0.00 0.00 179.24 177.75 1pd5 s SER 87 N -6.08 -0.22 0.14 6.45 0.01 -1.26 -5.06 113.70 107.68 1pd5 s SER 87 Ca 0.04 -0.01 0.09 0.00 1.31 0.00 0.00 55.95 57.37 1pd5 s SER 87 Cb 0.07 0.37 -0.04 0.00 0.21 0.00 0.00 66.02 66.64 1pd5 s SER 87 CO 0.64 -0.58 -0.20 0.68 0.41 0.00 0.00 173.24 174.18 1pd5 s VAL 88 N -2.13 1.81 -0.03 3.43 -7.23 -1.26 -4.93 120.40 110.06 1pd5 s VAL 88 Ca -0.08 -1.76 0.06 0.00 -1.81 0.00 0.00 61.98 58.40 1pd5 s VAL 88 Cb -0.02 -1.74 -0.02 0.00 0.56 0.00 0.00 36.38 35.16 1pd5 s VAL 88 CO -0.00 -0.19 -0.22 -1.00 -0.31 0.00 0.00 175.10 173.38 1pd5 s HIS 89 N -1.63 2.46 0.38 2.82 3.76 -0.80 -4.68 115.29 117.60 1pd5 s HIS 89 Ca 0.12 -0.37 -0.25 0.00 -0.15 0.00 0.00 55.06 54.41 1pd5 s HIS 89 Cb -0.08 -1.55 -0.09 0.00 1.11 0.00 0.00 32.58 31.98 1pd5 s HIS 89 CO 0.06 0.02 1.11 -1.25 -0.85 0.00 0.00 174.74 173.83 1pd5 s PRO 90 N -0.61 4.18 -0.23 8.40 0.04 -1.24 -2.51 135.00 143.02 1pd5 s PRO 90 Ca 0.10 1.71 -0.00 0.00 0.04 0.00 0.00 61.00 62.84 1pd5 s PRO 90 Cb -0.10 -2.70 0.06 0.00 0.04 0.00 0.00 34.50 31.80 1pd5 s PRO 90 CO -0.00 -0.18 -0.01 0.00 0.04 0.00 0.00 177.00 176.85 1pd5 s TYR 92 N 1.53 2.41 0.40 0.00 -0.85 0.57 -1.16 117.35 120.25 1pd5 s TYR 92 Ca -0.03 -0.46 0.04 0.00 -0.52 0.00 0.00 57.07 56.10 1pd5 s TYR 92 Cb -0.18 -1.34 -0.00 0.00 0.38 0.00 0.00 41.96 40.82 1pd5 s TYR 92 CO -0.08 0.59 0.58 0.95 -1.52 0.00 0.00 175.55 176.07 1pd5 s THR 93 N -2.58 3.84 -0.11 -3.49 -4.23 -0.74 -1.60 115.64 106.73 1pd5 s THR 93 Ca 0.32 -0.78 -0.05 0.00 -1.18 0.00 0.00 61.69 60.01 1pd5 s THR 93 Cb 0.01 -3.37 0.05 0.00 1.34 0.00 0.00 72.50 70.53 1pd5 s THR 93 CO 0.17 -0.20 0.25 -0.69 -0.54 0.00 0.00 174.62 173.61 1pd5 s VAL 94 N -2.38 -0.21 -0.11 2.29 1.01 -0.32 -4.76 120.40 115.91 1pd5 s VAL 94 Ca 0.48 0.22 -0.12 0.00 0.00 0.00 0.00 61.98 62.56 1pd5 s VAL 94 Cb -0.10 -0.40 -0.05 0.00 0.00 0.00 0.00 36.38 35.84 1pd5 s VAL 94 CO 0.34 0.09 0.27 0.12 0.00 0.00 0.00 175.10 175.92 1pd5 s PHE 95 N 1.82 3.57 -0.56 5.22 5.36 -1.26 -0.57 117.98 131.55 1pd5 s PHE 95 Ca -0.04 0.66 -0.08 0.00 -0.96 0.00 0.00 56.93 56.51 1pd5 s PHE 95 Cb -0.11 -2.20 0.14 0.00 -0.34 0.00 0.00 43.02 40.51 1pd5 s PHE 95 CO -0.08 0.49 0.42 -1.01 -1.46 0.00 0.00 175.22 173.58 1pd5 s HIS 96 N -0.36 3.49 0.04 10.12 3.76 0.09 -4.98 115.29 127.44 1pd5 s HIS 96 Ca 0.17 -2.15 -0.07 0.00 -0.15 0.00 0.00 55.06 52.86 1pd5 s HIS 96 Cb -0.14 -3.45 -0.02 0.00 1.11 0.00 0.00 32.58 30.09 1pd5 s HIS 96 CO 0.06 -0.95 0.70 0.39 -0.85 0.00 0.00 174.74 174.09 1pd5 n GLU 97 N 4.38 -0.11 -0.26 1.40 -0.58 -1.26 0.11 120.64 124.31 1pd5 n GLU 97 Ca -0.00 0.70 -0.00 0.00 -0.42 0.00 0.00 57.16 57.43 1pd5 n GLU 97 Cb 0.41 -1.04 0.12 0.00 -0.57 0.00 0.00 31.44 30.37 1pd5 n GLU 97 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1pd5 h GLN 98 N 0.00 0.76 -0.00 3.49 1.08 -1.96 -2.43 115.11 116.04 1pd5 h GLN 98 Ca 0.04 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1pd5 h GLN 98 Cb 0.10 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.36 1pd5 h GLN 98 CO -0.22 0.50 -0.75 0.25 -0.95 0.00 0.00 178.83 177.65 1pd5 n THR 99 N -4.73 0.00 -3.14 -0.54 -2.24 -1.00 -4.95 114.28 97.69 1pd5 n THR 99 Ca 0.10 -0.07 -0.23 0.00 -2.27 0.00 0.00 64.05 61.58 1pd5 n THR 99 Cb 0.19 0.92 0.02 0.00 -2.10 0.00 0.00 70.33 69.37 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 -1.08 -4.44 -3.86 -0.78 1.02 0.29 -5.00 120.64 106.79 1pd5 n GLU 100 Ca 0.06 0.77 -0.25 0.00 -0.02 0.00 0.00 57.16 57.72 1pd5 n GLU 100 Cb 0.37 -5.58 -0.02 0.00 -0.02 0.00 0.00 31.44 26.18 1pd5 n GLU 100 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1pd5 s THR 101 N -3.10 1.99 0.26 2.62 -4.23 -1.14 -4.98 115.64 107.06 1pd5 s THR 101 Ca 0.34 -1.50 0.08 0.00 -1.18 0.00 0.00 61.69 59.43 1pd5 s THR 101 Cb -0.16 -2.48 -0.05 0.00 1.34 0.00 0.00 72.50 71.14 1pd5 s THR 101 CO 0.42 0.00 -0.12 0.72 -0.54 0.00 0.00 174.62 175.10 1pd5 s PHE 102 N -2.68 2.00 0.21 3.99 -0.12 -1.26 -0.73 117.98 119.39 1pd5 s PHE 102 Ca 0.38 -0.56 0.08 0.00 -0.05 0.00 0.00 56.93 56.79 1pd5 s PHE 102 Cb -0.01 -1.01 -0.05 0.00 -0.63 0.00 0.00 43.02 41.32 1pd5 s PHE 102 CO 0.23 0.43 -0.16 -1.12 -0.05 0.00 0.00 175.22 174.56 1pd5 s SER 103 N -3.44 2.69 -0.25 1.98 0.01 0.26 -4.74 113.70 110.21 1pd5 s SER 103 Ca 0.28 -0.99 -0.02 0.00 1.31 0.00 0.00 55.95 56.53 1pd5 s SER 103 Cb 0.00 -0.16 0.03 0.00 0.21 0.00 0.00 66.02 66.11 1pd5 s SER 103 CO 0.11 -0.13 -0.05 -0.44 0.41 0.00 0.00 173.24 173.14 1pd5 s SER 104 N -3.23 4.38 0.03 2.44 0.01 0.22 -1.18 113.70 116.39 1pd5 s SER 104 Ca 0.22 -0.92 0.04 0.00 1.31 0.00 0.00 55.95 56.60 1pd5 s SER 104 Cb -0.02 -1.67 -0.04 0.00 0.21 0.00 0.00 66.02 64.51 1pd5 s SER 104 CO 0.08 -0.14 -0.07 -0.76 0.41 0.00 0.00 173.24 172.75 1pd5 s LEU 105 N 1.31 3.14 0.07 2.44 1.43 -0.63 -4.12 118.68 122.33 1pd5 s LEU 105 Ca -0.01 -0.21 0.10 0.00 -1.03 0.00 0.00 54.13 52.99 1pd5 s LEU 105 Cb -0.17 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 1pd5 s LEU 105 CO -0.04 0.25 -0.26 -1.66 0.23 0.00 0.00 176.35 174.87 1pd5 s TRP 106 N -1.06 2.29 -0.07 0.29 1.48 -1.26 -0.32 118.94 120.29 1pd5 s TRP 106 Ca 0.18 -0.40 0.03 0.00 -1.06 0.00 0.00 56.10 54.86 1pd5 s TRP 106 Cb -0.11 -1.33 0.01 0.00 -1.16 0.00 0.00 33.47 30.88 1pd5 s TRP 106 CO 0.09 0.19 -0.17 -1.12 -4.06 0.00 0.00 176.95 171.89 1pd5 s SER 107 N -1.49 2.23 -0.27 -2.66 0.01 -0.62 -5.00 113.70 105.90 1pd5 s SER 107 Ca 0.12 -0.38 -0.44 0.00 1.31 0.00 0.00 55.95 56.56 1pd5 s SER 107 Cb -0.10 -0.92 -0.20 0.00 0.21 0.00 0.00 66.02 65.01 1pd5 s SER 107 CO 0.03 0.10 1.40 1.21 0.41 0.00 0.00 173.24 176.39 1pd5 n GLU 108 N 3.56 0.12 -1.96 12.44 2.13 -1.26 -3.73 120.64 131.93 1pd5 n GLU 108 Ca -0.21 0.04 -0.33 0.00 0.66 0.00 0.00 57.16 57.33 1pd5 n GLU 108 Cb 0.52 -1.56 0.02 0.00 0.27 0.00 0.00 31.44 30.70 1pd5 n GLU 108 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 1pd5 s TYR 109 N 1.79 2.85 -0.00 4.31 5.04 -1.26 -4.90 117.35 125.18 1pd5 s TYR 109 Ca 0.98 1.53 -0.18 0.00 -2.44 0.00 0.00 57.07 56.96 1pd5 s TYR 109 Cb -1.36 -3.07 0.03 0.00 0.35 0.00 0.00 41.96 37.90 1pd5 s TYR 109 CO 0.70 -1.32 0.39 -1.01 -1.34 0.00 0.00 175.55 172.97 1pd5 s HIS 110 N -2.38 -0.26 0.44 4.97 3.76 -1.26 -4.98 115.29 115.57 1pd5 s HIS 110 Ca 0.65 0.36 0.16 0.00 -0.15 0.00 0.00 55.06 56.08 1pd5 s HIS 110 Cb -0.18 0.17 1.08 0.00 1.11 0.00 0.00 32.58 34.76 1pd5 s HIS 110 CO 0.38 -0.47 1.96 0.22 -0.85 0.00 0.00 174.74 175.98 1pd5 h ASP 111 N 3.50 0.34 -3.45 1.40 1.82 -1.99 -3.41 116.42 114.63 1pd5 h ASP 111 Ca -0.30 0.01 -0.60 0.00 -0.39 0.00 0.00 57.03 55.76 1pd5 h ASP 111 Cb 1.18 -0.06 -0.10 0.00 0.68 0.00 0.00 39.33 41.03 1pd5 h ASP 111 CO 0.41 0.19 -0.12 -0.62 -1.61 0.00 0.00 179.24 177.49 1pd5 s ASP 112 N -6.15 6.53 0.19 2.28 -1.08 -1.26 -4.99 116.67 112.20 1pd5 s ASP 112 Ca -0.07 0.63 -0.11 0.00 -0.52 0.00 0.00 52.55 52.47 1pd5 s ASP 112 Cb 0.20 -2.27 0.20 0.00 -1.46 0.00 0.00 42.92 39.60 1pd5 s ASP 112 CO 0.75 -0.11 1.78 0.15 0.52 0.00 0.00 175.17 178.26 1pd5 h PHE 113 N 7.30 0.48 0.48 -5.34 3.57 -1.79 -1.29 116.94 120.35 1pd5 h PHE 113 Ca -0.36 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.15 1pd5 h PHE 113 Cb 1.16 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.75 1pd5 h PHE 113 CO 0.68 0.20 -0.41 0.00 -2.23 0.00 0.00 178.31 176.55 1pd5 h ARG 114 N 0.50 -0.86 -0.74 1.11 3.08 -1.94 0.78 114.38 116.32 1pd5 h ARG 114 Ca 0.26 0.06 0.14 0.00 0.07 0.00 0.00 59.98 60.52 1pd5 h ARG 114 Cb 0.22 0.20 -0.14 0.00 0.08 0.00 0.00 29.97 30.33 1pd5 h ARG 114 CO -0.21 -0.57 -0.23 1.96 -1.07 0.00 0.00 179.97 179.85 1pd5 h GLN 115 N -0.89 -0.03 -0.17 0.04 4.20 -1.87 -1.92 115.11 114.46 1pd5 h GLN 115 Ca -0.05 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 1pd5 h GLN 115 Cb 0.77 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 1pd5 h GLN 115 CO -0.03 -0.02 0.09 0.35 -0.67 0.00 0.00 178.83 178.55 1pd5 h PHE 116 N -0.03 0.23 -1.01 2.96 3.57 -0.42 -1.99 116.94 120.25 1pd5 h PHE 116 Ca 0.34 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.86 1pd5 h PHE 116 Cb 0.56 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 39.17 1pd5 h PHE 116 CO -0.63 0.23 0.66 1.25 -2.23 0.00 0.00 178.31 177.60 1pd5 h LEU 117 N 0.16 1.11 -0.37 0.59 6.46 0.10 0.21 115.31 123.57 1pd5 h LEU 117 Ca 0.06 -0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.76 1pd5 h LEU 117 Cb 0.08 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.74 1pd5 h LEU 117 CO -0.01 0.77 0.07 -0.74 -0.62 0.00 0.00 178.44 177.91 1pd5 h HIS 118 N 1.29 0.65 -0.21 1.25 2.76 -1.00 0.98 115.15 120.88 1pd5 h HIS 118 Ca 0.40 -0.09 -0.01 0.00 -2.20 0.00 0.00 60.37 58.47 1pd5 h HIS 118 Cb -0.03 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 28.75 1pd5 h HIS 118 CO -0.00 0.65 0.08 0.82 -1.30 0.00 0.00 177.93 178.19 1pd5 h ILE 119 N 0.46 1.16 -0.18 6.26 2.04 -0.51 -1.83 117.51 124.92 1pd5 h ILE 119 Ca 0.11 -0.49 0.04 0.00 1.00 0.00 0.00 64.86 65.52 1pd5 h ILE 119 Cb 0.35 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 1pd5 h ILE 119 CO 0.01 0.16 -0.07 0.22 0.00 0.00 0.00 178.15 178.46 1pd5 h TYR 120 N 0.18 -0.17 -0.75 1.37 3.20 -0.29 -1.13 116.97 119.39 1pd5 h TYR 120 Ca 0.07 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.03 1pd5 h TYR 120 Cb 0.17 0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.48 1pd5 h TYR 120 CO -0.01 -0.12 0.42 0.77 -1.64 0.00 0.00 178.16 177.58 1pd5 h SER 121 N -0.05 0.62 -0.05 -2.11 0.02 -0.70 0.82 113.55 112.11 1pd5 h SER 121 Ca 0.09 0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.10 1pd5 h SER 121 Cb 0.19 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 1pd5 h SER 121 CO -0.21 0.38 -0.11 1.56 -1.14 0.00 0.00 176.83 177.32 1pd5 h GLN 122 N 0.75 -0.15 0.13 3.45 4.20 -0.87 0.12 115.11 122.73 1pd5 h GLN 122 Ca 0.34 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.07 1pd5 h GLN 122 Cb 0.25 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1pd5 h GLN 122 CO -0.21 -0.10 -0.13 -0.44 -0.67 0.00 0.00 178.83 177.28 1pd5 h ASP 123 N -0.16 -0.34 0.60 1.46 3.32 0.11 0.32 116.42 121.74 1pd5 h ASP 123 Ca 0.06 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 1pd5 h ASP 123 Cb 0.24 0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 1pd5 h ASP 123 CO -0.14 -0.20 -0.14 0.58 -1.72 0.00 0.00 179.24 177.62 1pd5 h VAL 124 N -0.28 0.47 0.12 -1.35 2.07 0.65 -1.21 116.25 116.73 1pd5 h VAL 124 Ca 0.00 -0.70 -0.29 0.00 0.82 0.00 0.00 66.70 66.53 1pd5 h VAL 124 Cb 0.27 1.49 0.03 0.00 -1.52 0.00 0.00 31.29 31.55 1pd5 h VAL 124 CO -0.03 0.13 -1.24 0.00 0.02 0.00 0.00 177.57 176.45 1pd5 h ALA 125 N 1.86 0.03 0.00 1.67 0.00 0.57 -1.88 119.26 121.52 1pd5 h ALA 125 Ca -0.00 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1pd5 h ALA 125 Cb 0.48 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1pd5 h ALA 125 CO 0.02 0.73 -0.13 0.00 0.00 0.00 0.00 179.25 179.87 1pd5 n TYR 127 N -2.57 0.00 0.31 0.00 4.01 -0.49 -4.80 117.16 113.61 1pd5 n TYR 127 Ca 0.04 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.94 1pd5 n TYR 127 Cb 0.47 0.00 0.82 0.00 -0.31 0.00 0.00 39.34 40.33 1pd5 n TYR 127 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1pd5 h GLY 128 N 0.00 0.00 0.00 2.72 0.00 -1.45 -1.40 103.07 102.94 1pd5 h GLY 128 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1pd5 h GLY 128 CO 0.00 0.00 -0.30 -2.21 0.00 0.00 0.00 176.54 174.03 1pd5 n GLU 129 N -2.81 5.06 -2.08 4.80 4.07 -1.26 -4.86 120.64 123.56 1pd5 n GLU 129 Ca -0.02 -0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.65 1pd5 n GLU 129 Cb 0.32 -0.68 -0.03 0.00 -0.06 0.00 0.00 31.44 30.98 1pd5 n GLU 129 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 1pd5 s ASN 130 N -1.40 6.72 0.00 4.31 3.84 -0.53 -4.90 114.94 122.99 1pd5 s ASN 130 Ca 0.00 2.18 0.25 0.00 0.21 0.00 0.00 52.86 55.51 1pd5 s ASN 130 Cb 0.01 -2.54 1.52 0.00 -0.55 0.00 0.00 41.25 39.69 1pd5 s ASN 130 CO 0.08 -0.87 1.91 0.18 -2.79 0.00 0.00 177.10 175.61 1pd5 n LEU 131 N 6.60 0.00 -4.68 3.21 4.77 -1.26 -4.87 117.00 120.76 1pd5 n LEU 131 Ca 0.16 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.81 1pd5 n LEU 131 Cb 0.43 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.65 1pd5 n LEU 131 CO 0.61 0.00 0.73 0.00 -1.33 0.00 0.00 177.39 177.40 1pd5 n ALA 132 N -0.95 -0.17 0.07 -1.18 0.00 -1.26 -4.93 120.51 112.09 1pd5 n ALA 132 Ca 0.19 -0.35 -0.13 0.00 0.00 0.00 0.00 53.44 53.15 1pd5 n ALA 132 Cb 0.09 -2.23 -0.07 0.00 0.00 0.00 0.00 19.45 17.24 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 -0.99 -0.09 -2.79 0.00 3.20 -1.89 -3.35 116.97 111.06 1pd5 h TYR 133 Ca -0.46 -0.00 -0.64 0.00 3.14 0.00 0.00 58.73 60.77 1pd5 h TYR 133 Cb 1.30 0.03 -0.40 0.00 1.54 0.00 0.00 36.73 39.20 1pd5 h TYR 133 CO 0.46 -0.04 -0.40 1.19 -1.64 0.00 0.00 178.16 177.73 1pd5 n PHE 134 N -5.12 3.53 0.31 -3.82 3.01 -1.26 0.73 117.46 114.83 1pd5 n PHE 134 Ca -0.08 -4.11 0.20 0.00 1.01 0.00 0.00 57.45 54.47 1pd5 n PHE 134 Cb 0.07 -0.74 1.04 0.00 -0.01 0.00 0.00 39.48 39.85 1pd5 n PHE 134 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1pd5 h PRO 135 N 5.05 0.00 -0.65 -1.08 0.13 -1.72 -0.74 132.00 132.99 1pd5 h PRO 135 Ca 0.17 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.85 1pd5 h PRO 135 Cb 0.72 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 31.54 1pd5 h PRO 135 CO 0.83 0.00 -0.41 0.36 -0.23 0.00 0.00 178.00 178.55 1pd5 n LYS 136 N -2.94 2.98 -0.68 0.86 2.85 -1.26 -5.05 118.16 114.93 1pd5 n LYS 136 Ca -0.02 -3.79 0.09 0.00 -1.05 0.00 0.00 58.31 53.54 1pd5 n LYS 136 Cb 0.10 -2.14 -0.02 0.00 -0.65 0.00 0.00 35.03 32.32 1pd5 n LYS 136 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1pd5 n GLY 137 N -0.85 -1.61 3.20 2.58 0.00 -0.29 -4.87 105.19 103.35 1pd5 n GLY 137 Ca 0.43 -1.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.14 1.45 0.50 1.61 -0.12 -1.26 -4.82 117.98 114.20 1pd5 s PHE 138 Ca 0.00 -0.39 0.06 0.00 -0.05 0.00 0.00 56.93 56.55 1pd5 s PHE 138 Cb 0.00 -0.84 0.01 0.00 -0.63 0.00 0.00 43.02 41.56 1pd5 s PHE 138 CO 0.00 0.08 0.34 0.96 -0.05 0.00 0.00 175.22 176.56 1pd5 s ILE 139 N -0.97 1.90 -1.24 -4.49 -4.36 -1.26 -5.02 121.20 105.75 1pd5 s ILE 139 Ca 0.03 -1.52 0.27 0.00 -0.26 0.00 0.00 60.65 59.17 1pd5 s ILE 139 Cb -0.09 -2.42 0.19 0.00 1.25 0.00 0.00 42.46 41.39 1pd5 s ILE 139 CO 0.02 0.00 1.65 -0.62 0.24 0.00 0.00 174.94 176.23 1pd5 n GLU 140 N -1.62 0.26 -3.35 0.37 1.02 -1.26 -4.04 120.64 112.02 1pd5 n GLU 140 Ca -0.02 -0.11 -0.26 0.00 -0.02 0.00 0.00 57.16 56.76 1pd5 n GLU 140 Cb 0.64 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.48 1pd5 n GLU 140 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1pd5 n ASN 141 N -1.27 0.89 -4.54 1.62 6.94 -1.26 -5.04 115.26 112.59 1pd5 n ASN 141 Ca 0.09 -2.79 -0.24 0.00 -0.02 0.00 0.00 54.58 51.62 1pd5 n ASN 141 Cb 0.32 -0.63 -0.09 0.00 -2.36 0.00 0.00 39.78 37.02 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 -1.12 1.89 0.22 -3.83 1.00 -1.26 -1.90 119.30 114.30 1pd5 s MET 142 Ca 0.34 -1.73 0.11 0.00 0.00 0.00 0.00 55.69 54.41 1pd5 s MET 142 Cb 0.11 -1.86 -0.05 0.00 0.00 0.00 0.00 34.83 33.04 1pd5 s MET 142 CO -0.12 0.27 -0.20 -0.59 0.00 0.00 0.00 175.02 174.38 1pd5 s PHE 143 N -2.49 2.37 0.01 -0.03 -0.12 -1.04 -4.76 117.98 111.91 1pd5 s PHE 143 Ca 0.32 -0.32 0.02 0.00 -0.05 0.00 0.00 56.93 56.89 1pd5 s PHE 143 Cb -0.03 -1.13 -0.04 0.00 -0.63 0.00 0.00 43.02 41.19 1pd5 s PHE 143 CO 0.17 0.56 0.01 -0.06 -0.05 0.00 0.00 175.22 175.85 1pd5 s PHE 144 N -1.92 3.08 -0.10 3.49 0.40 -0.33 -1.61 117.98 120.99 1pd5 s PHE 144 Ca 0.24 0.07 -0.01 0.00 -0.60 0.00 0.00 56.93 56.64 1pd5 s PHE 144 Cb -0.07 -1.65 0.03 0.00 0.51 0.00 0.00 43.02 41.83 1pd5 s PHE 144 CO 0.12 0.47 -0.06 0.08 0.70 0.00 0.00 175.22 176.53 1pd5 s VAL 145 N -1.13 0.89 -0.19 -0.44 1.01 -0.31 -1.05 120.40 119.17 1pd5 s VAL 145 Ca 0.21 -0.20 -0.09 0.00 0.00 0.00 0.00 61.98 61.89 1pd5 s VAL 145 Cb -0.12 -0.93 -0.05 0.00 0.00 0.00 0.00 36.38 35.28 1pd5 s VAL 145 CO 0.12 0.34 0.12 -0.44 0.00 0.00 0.00 175.10 175.24 1pd5 s SER 146 N 1.75 6.10 -0.20 3.32 0.01 -0.34 -1.79 113.70 122.54 1pd5 s SER 146 Ca 0.05 0.21 -0.23 0.00 1.31 0.00 0.00 55.95 57.29 1pd5 s SER 146 Cb -0.13 -2.06 -0.02 0.00 0.21 0.00 0.00 66.02 64.02 1pd5 s SER 146 CO -0.07 0.19 0.72 0.00 0.41 0.00 0.00 173.24 174.48 1pd5 s ALA 147 N 0.32 3.56 -0.52 1.44 0.00 -1.26 0.43 121.76 125.74 1pd5 s ALA 147 Ca 0.07 -0.19 0.07 0.00 0.00 0.00 0.00 51.96 51.91 1pd5 s ALA 147 Cb -0.11 -3.10 0.24 0.00 0.00 0.00 0.00 23.12 20.14 1pd5 s ALA 147 CO -0.01 -0.67 0.59 -1.71 0.00 0.00 0.00 175.76 173.96 1pd5 n ASN 148 N 5.34 1.79 0.00 0.00 5.15 0.13 -4.89 115.26 122.78 1pd5 n ASN 148 Ca 0.01 -3.01 0.10 0.00 -0.60 0.00 0.00 54.58 51.09 1pd5 n ASN 148 Cb 0.49 -0.65 0.61 0.00 -0.53 0.00 0.00 39.78 39.69 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 1.35 0.80 0.08 1.20 -0.04 -1.26 -3.59 135.00 133.54 1pd5 n PRO 149 Ca 0.25 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.73 1pd5 n PRO 149 Cb 0.46 -1.40 -0.03 0.00 -0.04 0.00 0.00 33.50 32.49 1pd5 n PRO 149 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1pd5 h TRP 150 N 0.00 0.00 -3.24 0.54 6.55 -1.92 -3.41 115.95 114.47 1pd5 h TRP 150 Ca 0.00 0.00 -0.15 0.00 0.95 0.00 0.00 58.89 59.69 1pd5 h TRP 150 Cb 0.00 0.00 -0.23 0.00 -0.86 0.00 0.00 29.16 28.07 1pd5 h TRP 150 CO 0.00 0.53 -0.42 0.08 -1.05 0.00 0.00 178.44 177.58 1pd5 s VAL 151 N -2.95 0.04 -1.32 1.49 1.01 -1.24 -4.92 120.40 112.51 1pd5 s VAL 151 Ca 0.00 -0.30 -0.13 0.00 0.00 0.00 0.00 61.98 61.56 1pd5 s VAL 151 Cb 0.08 -0.42 0.12 0.00 0.00 0.00 0.00 36.38 36.16 1pd5 s VAL 151 CO 0.78 -0.16 1.89 -1.20 0.00 0.00 0.00 175.10 176.40 1pd5 n SER 152 N 2.18 4.74 -4.81 3.32 7.64 -1.26 -2.31 113.62 123.12 1pd5 n SER 152 Ca -0.17 -2.98 -0.33 0.00 1.01 0.00 0.00 58.87 56.39 1pd5 n SER 152 Cb 0.57 -1.58 -0.01 0.00 -1.01 0.00 0.00 64.21 62.18 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 1.93 3.05 -0.44 1.43 -0.12 -1.26 -4.93 117.98 117.63 1pd5 s PHE 153 Ca 0.44 1.53 0.20 0.00 -0.05 0.00 0.00 56.93 59.05 1pd5 s PHE 153 Cb 0.08 -3.00 -0.27 0.00 -0.63 0.00 0.00 43.02 39.20 1pd5 s PHE 153 CO -0.01 -0.93 0.63 -2.37 -0.05 0.00 0.00 175.22 172.48 1pd5 n THR 154 N -1.63 0.00 -3.83 -4.49 5.66 -1.26 -4.69 114.28 104.04 1pd5 n THR 154 Ca 0.09 -0.27 -0.12 0.00 -3.05 0.00 0.00 64.05 60.70 1pd5 n THR 154 Cb 0.53 0.47 -0.11 0.00 -1.55 0.00 0.00 70.33 69.67 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 -3.67 -0.12 -0.07 1.09 0.15 -1.26 -4.85 113.70 104.96 1pd5 s SER 155 Ca -0.01 0.18 -0.03 0.00 0.70 0.00 0.00 55.95 56.79 1pd5 s SER 155 Cb 0.14 0.32 0.04 0.00 -1.71 0.00 0.00 66.02 64.81 1pd5 s SER 155 CO 0.83 -0.17 0.16 0.12 1.20 0.00 0.00 173.24 175.39 1pd5 s PHE 156 N -0.40 -0.19 -0.12 3.44 5.36 -1.26 -5.14 117.98 119.66 1pd5 s PHE 156 Ca -0.05 0.55 -0.30 0.00 -0.96 0.00 0.00 56.93 56.17 1pd5 s PHE 156 Cb -0.03 -0.08 0.09 0.00 -0.34 0.00 0.00 43.02 42.66 1pd5 s PHE 156 CO 0.01 -0.19 0.82 0.16 -1.46 0.00 0.00 175.22 174.56 1pd5 s ASP 157 N 1.33 -0.55 -0.24 6.13 1.47 -1.26 -4.76 116.67 118.79 1pd5 s ASP 157 Ca -0.08 0.67 -0.09 0.00 1.18 0.00 0.00 52.55 54.23 1pd5 s ASP 157 Cb -0.11 0.54 -0.04 0.00 -0.34 0.00 0.00 42.92 42.97 1pd5 s ASP 157 CO -0.06 -0.46 0.13 -0.22 0.68 0.00 0.00 175.17 175.24 1pd5 s LEU 158 N -0.95 3.85 -0.72 2.11 1.98 -1.26 -5.02 118.68 118.67 1pd5 s LEU 158 Ca -0.06 -0.01 -0.06 0.00 -2.89 0.00 0.00 54.13 51.11 1pd5 s LEU 158 Cb -0.01 -2.03 0.19 0.00 0.66 0.00 0.00 46.19 44.99 1pd5 s LEU 158 CO 0.05 0.03 0.57 0.21 -1.89 0.00 0.00 176.35 175.32 1pd5 s ASN 159 N 1.27 5.73 0.22 3.68 3.04 -1.26 -4.93 114.94 122.68 1pd5 s ASN 159 Ca 0.06 -2.93 -0.30 0.00 0.04 0.00 0.00 52.86 49.73 1pd5 s ASN 159 Cb -0.14 -1.96 -0.10 0.00 -1.54 0.00 0.00 41.25 37.51 1pd5 s ASN 159 CO 0.05 -0.40 1.42 -0.69 -3.04 0.00 0.00 177.10 174.44 1pd5 s VAL 160 N -0.18 2.84 0.18 -5.21 1.01 -1.26 -4.94 120.40 112.85 1pd5 s VAL 160 Ca 0.19 0.69 0.05 0.00 0.00 0.00 0.00 61.98 62.90 1pd5 s VAL 160 Cb -0.16 -3.44 -0.13 0.00 0.00 0.00 0.00 36.38 32.65 1pd5 s VAL 160 CO -0.06 0.10 1.42 0.00 0.00 0.00 0.00 175.10 176.56 1pd5 h ALA 161 N 5.45 0.61 -3.79 5.51 0.00 -2.06 -3.42 119.26 121.54 1pd5 h ALA 161 Ca -0.45 -0.72 -0.66 0.00 0.00 0.00 0.00 54.91 53.08 1pd5 h ALA 161 Cb 1.21 -0.10 -0.38 0.00 0.00 0.00 0.00 17.79 18.52 1pd5 h ALA 161 CO 0.80 0.94 -0.77 -0.80 0.00 0.00 0.00 179.25 179.42 1pd5 s ASN 162 N -6.86 4.56 0.00 0.00 0.01 -1.26 -5.01 114.94 106.37 1pd5 s ASN 162 Ca -0.02 -1.69 0.15 0.00 -0.71 0.00 0.00 52.86 50.59 1pd5 s ASN 162 Cb 0.11 -1.57 0.31 0.00 0.41 0.00 0.00 41.25 40.51 1pd5 s ASN 162 CO 0.81 -0.26 1.21 1.15 -1.51 0.00 0.00 177.10 178.49 1pd5 n MET 163 N 4.37 2.19 -2.42 -0.60 0.00 -1.26 -4.83 117.12 114.57 1pd5 n MET 163 Ca -0.07 -1.93 -0.42 0.00 0.00 0.00 0.00 57.70 55.27 1pd5 n MET 163 Cb 0.42 -1.34 -0.03 0.00 0.00 0.00 0.00 33.22 32.28 1pd5 n MET 163 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1pd5 s ASP 164 N -1.09 6.99 -1.30 3.17 1.01 -1.26 -0.66 116.67 123.53 1pd5 s ASP 164 Ca 0.26 1.80 0.00 0.00 0.71 0.00 0.00 52.55 55.32 1pd5 s ASP 164 Cb 0.15 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.53 1pd5 s ASP 164 CO 0.20 -0.66 0.00 0.59 0.21 0.00 0.00 175.17 175.51 1pd5 n ASN 165 N 5.75 -3.25 -4.51 0.27 3.02 -1.26 -4.87 115.26 110.41 1pd5 n ASN 165 Ca 0.12 0.30 -0.43 0.00 -0.03 0.00 0.00 54.58 54.55 1pd5 n ASN 165 Cb 0.45 -3.07 -0.02 0.00 -0.61 0.00 0.00 39.78 36.54 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 -2.05 2.93 -2.04 3.10 5.36 0.17 -4.62 117.98 120.83 1pd5 s PHE 166 Ca 0.00 -1.37 0.19 0.00 -0.96 0.00 0.00 56.93 54.78 1pd5 s PHE 166 Cb 0.00 -4.51 0.31 0.00 -0.34 0.00 0.00 43.02 38.48 1pd5 s PHE 166 CO 0.00 -1.68 1.25 1.19 -1.46 0.00 0.00 175.22 174.52 1pd5 n PHE 167 N 7.50 0.35 -3.49 10.12 3.72 -1.26 -4.55 117.46 129.84 1pd5 n PHE 167 Ca 0.33 -0.22 -0.38 0.00 -0.05 0.00 0.00 57.45 57.14 1pd5 n PHE 167 Cb 0.48 -0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.92 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 -1.33 3.57 0.41 4.37 0.00 -1.26 -4.73 121.76 122.78 1pd5 s ALA 168 Ca 0.30 -0.83 -0.26 0.00 0.00 0.00 0.00 51.96 51.17 1pd5 s ALA 168 Cb 0.18 -2.56 -0.10 0.00 0.00 0.00 0.00 23.12 20.64 1pd5 s ALA 168 CO 0.25 -0.45 1.29 -2.30 0.00 0.00 0.00 175.76 174.55 1pd5 n PRO 169 N 4.86 2.02 -4.10 0.00 -0.02 -1.26 -4.81 135.00 131.69 1pd5 n PRO 169 Ca -0.11 0.72 -0.32 0.00 -2.02 0.00 0.00 63.50 61.76 1pd5 n PRO 169 Cb 0.51 -2.40 -0.16 0.00 -0.02 0.00 0.00 33.50 31.43 1pd5 n PRO 169 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1pd5 s VAL 170 N -1.18 1.98 0.12 -1.45 1.01 -0.95 -1.19 120.40 118.75 1pd5 s VAL 170 Ca 0.60 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.68 1pd5 s VAL 170 Cb -0.51 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1pd5 s VAL 170 CO 0.59 0.48 0.11 -0.36 0.00 0.00 0.00 175.10 175.92 1pd5 s PHE 171 N 1.31 3.17 -0.05 5.22 0.40 -0.22 0.31 117.98 128.13 1pd5 s PHE 171 Ca 0.04 0.03 -0.00 0.00 -0.60 0.00 0.00 56.93 56.40 1pd5 s PHE 171 Cb -0.13 -1.57 0.03 0.00 0.51 0.00 0.00 43.02 41.85 1pd5 s PHE 171 CO -0.12 0.52 -0.01 0.99 0.70 0.00 0.00 175.22 177.30 1pd5 s THR 172 N -1.58 0.34 -0.27 0.64 2.01 0.49 -1.20 115.64 116.08 1pd5 s THR 172 Ca 0.30 0.05 -0.08 0.00 0.31 0.00 0.00 61.69 62.27 1pd5 s THR 172 Cb -0.11 -0.44 -0.02 0.00 0.01 0.00 0.00 72.50 71.94 1pd5 s THR 172 CO 0.23 0.21 0.09 -0.04 -0.69 0.00 0.00 174.62 174.41 1pd5 s MET 173 N 1.33 3.50 0.00 4.92 1.00 0.17 -0.33 119.30 129.88 1pd5 s MET 173 Ca -0.05 -0.59 0.00 0.00 0.00 0.00 0.00 55.69 55.05 1pd5 s MET 173 Cb -0.13 -3.38 0.00 0.00 0.00 0.00 0.00 34.83 31.31 1pd5 s MET 173 CO -0.02 -0.28 0.00 0.41 0.00 0.00 0.00 175.02 175.13 1pd5 n GLY 174 N 4.93 0.47 3.63 -0.03 0.00 -0.66 0.22 105.19 113.75 1pd5 n GLY 174 Ca -0.15 -1.75 -0.38 0.00 0.00 0.00 0.00 46.02 43.73 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 1.20 4.08 0.80 1.61 2.20 -0.98 -4.64 119.74 124.00 1pd5 s LYS 175 Ca 0.00 0.06 -0.11 0.00 -0.36 0.00 0.00 55.97 55.57 1pd5 s LYS 175 Cb 0.00 -3.60 0.07 0.00 -1.51 0.00 0.00 37.83 32.79 1pd5 s LYS 175 CO 0.00 -0.16 1.09 1.52 -0.36 0.00 0.00 175.35 177.44 1pd5 s TYR 176 N 1.70 2.56 0.15 4.03 -0.85 -1.26 -4.40 117.35 119.28 1pd5 s TYR 176 Ca 0.16 1.46 -0.24 0.00 -0.52 0.00 0.00 57.07 57.93 1pd5 s TYR 176 Cb -0.15 -3.07 0.07 0.00 0.38 0.00 0.00 41.96 39.19 1pd5 s TYR 176 CO 0.09 -1.90 0.68 1.52 -1.52 0.00 0.00 175.55 174.41 1pd5 s TYR 177 N -2.93 -0.44 0.29 -3.49 -0.85 -0.79 -4.95 117.35 104.19 1pd5 s TYR 177 Ca 0.61 0.20 -0.22 0.00 -0.52 0.00 0.00 57.07 57.14 1pd5 s TYR 177 Cb -0.17 0.58 -0.09 0.00 0.38 0.00 0.00 41.96 42.66 1pd5 s TYR 177 CO 0.56 -0.86 0.84 0.99 -1.52 0.00 0.00 175.55 175.56 1pd5 s THR 178 N -3.65 4.40 -0.21 -3.49 2.01 -1.26 -0.75 115.64 112.68 1pd5 s THR 178 Ca 0.04 1.52 -0.04 0.00 0.31 0.00 0.00 61.69 63.52 1pd5 s THR 178 Cb -0.02 -3.90 0.10 0.00 0.01 0.00 0.00 72.50 68.70 1pd5 s THR 178 CO -0.09 0.12 0.28 -1.58 -0.69 0.00 0.00 174.62 172.66 1pd5 s GLN 179 N -2.14 0.24 1.70 4.92 0.74 -0.50 -4.91 119.66 119.71 1pd5 s GLN 179 Ca 0.48 0.37 0.00 0.00 0.05 0.00 0.00 55.36 56.26 1pd5 s GLN 179 Cb -0.17 -0.85 0.00 0.00 1.10 0.00 0.00 33.01 33.09 1pd5 s GLN 179 CO 0.21 -0.61 0.00 0.41 -0.55 0.00 0.00 175.29 174.75 1pd5 n GLY 180 N 5.34 2.25 0.21 2.59 0.00 -1.26 0.76 105.19 115.08 1pd5 n GLY 180 Ca -0.05 0.41 0.06 0.00 0.00 0.00 0.00 46.02 46.43 1pd5 n GLY 180 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pd5 h ASP 181 N 0.00 0.00 -2.61 1.61 3.45 -2.03 -3.47 116.42 113.37 1pd5 h ASP 181 Ca 0.00 0.00 -0.49 0.00 0.43 0.00 0.00 57.03 56.97 1pd5 h ASP 181 Cb 0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 1pd5 h ASP 181 CO 0.00 0.29 -0.31 -0.54 -1.57 0.00 0.00 179.24 177.11 1pd5 s LYS 182 N -4.13 3.48 -0.16 3.56 -0.14 0.23 -5.05 119.74 117.54 1pd5 s LYS 182 Ca -0.02 -0.48 -0.03 0.00 -1.36 0.00 0.00 55.97 54.08 1pd5 s LYS 182 Cb 0.14 -2.79 -0.02 0.00 -1.68 0.00 0.00 37.83 33.47 1pd5 s LYS 182 CO 0.68 0.32 -0.05 0.08 -0.76 0.00 0.00 175.35 175.62 1pd5 s VAL 183 N -2.07 3.75 -0.02 3.17 1.01 -1.26 -1.41 120.40 123.57 1pd5 s VAL 183 Ca 0.38 -0.41 0.07 0.00 0.00 0.00 0.00 61.98 62.02 1pd5 s VAL 183 Cb -0.10 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.62 1pd5 s VAL 183 CO 0.32 0.49 -0.23 -0.76 0.00 0.00 0.00 175.10 174.92 1pd5 s LEU 184 N 0.47 2.04 -0.16 3.92 1.43 0.07 0.01 118.68 126.46 1pd5 s LEU 184 Ca -0.04 -0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 52.64 1pd5 s LEU 184 Cb -0.14 -1.17 -0.01 0.00 0.03 0.00 0.00 46.19 44.90 1pd5 s LEU 184 CO 0.03 0.27 -0.11 -0.32 0.23 0.00 0.00 176.35 176.45 1pd5 s MET 185 N -0.51 3.36 0.17 1.70 1.75 0.67 -1.88 119.30 124.57 1pd5 s MET 185 Ca 0.08 -0.67 -0.32 0.00 -1.25 0.00 0.00 55.69 53.53 1pd5 s MET 185 Cb -0.09 -2.73 -0.11 0.00 2.84 0.00 0.00 34.83 34.73 1pd5 s MET 185 CO -0.01 0.08 1.78 -2.30 -0.65 0.00 0.00 175.02 173.92 1pd5 n PRO 186 N 3.93 2.80 -4.02 4.11 -0.02 -1.26 0.05 135.00 140.58 1pd5 n PRO 186 Ca -0.18 1.01 -0.16 0.00 -2.02 0.00 0.00 63.50 62.15 1pd5 n PRO 186 Cb 0.52 -2.88 -0.15 0.00 -0.02 0.00 0.00 33.50 30.96 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 1.92 1.67 0.01 2.45 2.96 0.87 -1.66 118.68 126.91 1pd5 s LEU 187 Ca 0.78 -0.05 0.07 0.00 -0.22 0.00 0.00 54.13 54.71 1pd5 s LEU 187 Cb -0.49 -0.21 -0.02 0.00 0.50 0.00 0.00 46.19 45.97 1pd5 s LEU 187 CO 0.35 -0.01 -0.21 0.00 -1.32 0.00 0.00 176.35 175.16 1pd5 s ALA 188 N 0.37 1.73 -0.07 5.97 0.00 0.55 -0.25 121.76 130.06 1pd5 s ALA 188 Ca -0.04 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 50.97 1pd5 s ALA 188 Cb -0.07 -0.39 0.02 0.00 0.00 0.00 0.00 23.12 22.68 1pd5 s ALA 188 CO -0.01 0.41 -0.09 -1.50 0.00 0.00 0.00 175.76 174.57 1pd5 s ILE 189 N -0.63 0.97 -0.11 0.00 1.10 -0.62 -0.38 121.20 121.54 1pd5 s ILE 189 Ca 0.08 -0.35 -0.04 0.00 -0.51 0.00 0.00 60.65 59.83 1pd5 s ILE 189 Cb -0.08 -0.94 -0.04 0.00 0.15 0.00 0.00 42.46 41.55 1pd5 s ILE 189 CO 0.00 0.33 0.05 0.00 -2.11 0.00 0.00 174.94 173.22 1pd5 s GLN 190 N 1.03 3.24 0.22 3.50 1.03 0.15 -2.78 119.66 126.05 1pd5 s GLN 190 Ca -0.08 -0.31 0.02 0.00 0.04 0.00 0.00 55.36 55.03 1pd5 s GLN 190 Cb -0.15 -2.97 -0.05 0.00 0.03 0.00 0.00 33.01 29.87 1pd5 s GLN 190 CO -0.00 0.69 0.04 0.14 -2.54 0.00 0.00 175.29 173.61 1pd5 s VAL 191 N -0.81 0.76 -0.17 3.63 -7.23 -0.63 -2.24 120.40 113.71 1pd5 s VAL 191 Ca 0.13 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.21 1pd5 s VAL 191 Cb -0.12 -2.39 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 1pd5 s VAL 191 CO 0.03 -0.25 0.12 -2.28 -0.31 0.00 0.00 175.10 172.40 1pd5 s HIS 192 N -3.61 3.44 0.35 2.82 2.46 -1.26 -0.69 115.29 118.80 1pd5 s HIS 192 Ca 0.30 0.35 0.30 0.00 0.47 0.00 0.00 55.06 56.49 1pd5 s HIS 192 Cb 0.07 -2.06 1.50 0.00 -0.13 0.00 0.00 32.58 31.95 1pd5 s HIS 192 CO 0.09 0.42 2.06 1.25 -2.47 0.00 0.00 174.74 176.09 1pd5 h HIS 193 N 6.08 0.00 -0.15 3.88 2.76 -1.48 -2.50 115.15 123.75 1pd5 h HIS 193 Ca -0.45 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 57.70 1pd5 h HIS 193 Cb 1.18 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.13 1pd5 h HIS 193 CO 0.64 0.10 0.03 0.00 -1.30 0.00 0.00 177.93 177.39 1pd5 h ALA 194 N 1.90 1.78 -0.00 5.26 0.00 -1.79 -3.09 119.26 123.32 1pd5 h ALA 194 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1pd5 h ALA 194 Cb 0.38 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1pd5 h ALA 194 CO 0.01 0.18 -0.35 1.33 0.00 0.00 0.00 179.25 180.42 1pd5 n VAL 195 N -4.44 0.00 -3.70 0.00 0.24 -1.05 -4.47 118.33 104.91 1pd5 n VAL 195 Ca -0.01 -0.32 -0.14 0.00 -2.04 0.00 0.00 64.34 61.83 1pd5 n VAL 195 Cb 0.14 1.03 -0.14 0.00 -1.47 0.00 0.00 33.84 33.40 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 1.81 5.56 0.38 0.00 -0.00 -1.26 -4.21 116.67 118.94 1pd5 s ASP 197 Ca -0.04 -0.39 0.12 0.00 -0.00 0.00 0.00 52.55 52.24 1pd5 s ASP 197 Cb -0.11 -0.62 0.91 0.00 -0.00 0.00 0.00 42.92 43.09 1pd5 s ASP 197 CO -0.08 -0.86 1.87 1.23 -0.00 0.00 0.00 175.17 177.34 1pd5 h GLY 198 N 0.52 1.06 0.99 0.21 0.00 -2.00 -1.72 103.07 102.13 1pd5 h GLY 198 Ca -0.40 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 46.65 1pd5 h GLY 198 CO 0.46 0.06 0.24 -2.75 0.00 0.00 0.00 176.54 174.55 1pd5 h PHE 199 N 0.59 0.85 -0.29 5.60 3.04 -1.97 -0.72 116.94 124.03 1pd5 h PHE 199 Ca 0.44 -0.06 -0.13 0.00 3.98 0.00 0.00 57.97 62.20 1pd5 h PHE 199 Cb 0.82 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 39.07 1pd5 h PHE 199 CO -0.00 0.68 -0.36 0.45 -2.02 0.00 0.00 178.31 177.06 1pd5 h HIS 200 N 0.77 0.78 0.00 0.41 -0.00 -1.71 0.11 115.15 115.51 1pd5 h HIS 200 Ca 0.19 -0.21 -0.15 0.00 -0.00 0.00 0.00 60.37 60.20 1pd5 h HIS 200 Cb 0.18 -0.17 0.01 0.00 -0.00 0.00 0.00 27.41 27.43 1pd5 h HIS 200 CO 0.01 0.93 -0.57 0.28 -0.00 0.00 0.00 177.93 178.57 1pd5 h VAL 201 N 0.55 1.44 -0.56 2.45 2.07 -1.28 -1.80 116.25 119.13 1pd5 h VAL 201 Ca 0.05 -2.07 0.05 0.00 0.82 0.00 0.00 66.70 65.55 1pd5 h VAL 201 Cb 0.87 2.62 -0.05 0.00 -1.52 0.00 0.00 31.29 33.22 1pd5 h VAL 201 CO 0.08 0.60 0.30 1.23 0.02 0.00 0.00 177.57 179.79 1pd5 h GLY 202 N -0.15 0.79 1.03 2.17 0.00 -1.08 0.13 103.07 105.95 1pd5 h GLY 202 Ca -0.07 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 1pd5 h GLY 202 CO 0.11 0.14 0.27 -0.09 0.00 0.00 0.00 176.54 176.97 1pd5 h ARG 203 N 0.57 1.06 -0.53 4.80 2.43 -0.84 -1.71 114.38 120.16 1pd5 h ARG 203 Ca 0.24 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1pd5 h ARG 203 Cb 0.13 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 1pd5 h ARG 203 CO -0.15 0.88 0.35 1.98 -1.51 0.00 0.00 179.97 181.52 1pd5 h MET 204 N 1.01 0.71 0.09 0.20 4.05 -0.13 0.90 114.93 121.75 1pd5 h MET 204 Ca 0.23 -0.04 -0.29 0.00 -0.28 0.00 0.00 59.70 59.32 1pd5 h MET 204 Cb 0.22 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 30.85 1pd5 h MET 204 CO -0.02 0.47 -1.47 -0.07 0.23 0.00 0.00 176.91 176.05 1pd5 h LEU 205 N 0.73 0.28 -0.56 3.39 3.38 -0.61 -0.37 115.31 121.55 1pd5 h LEU 205 Ca 0.20 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 1pd5 h LEU 205 Cb -0.07 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1pd5 h LEU 205 CO -0.04 1.33 0.25 0.78 0.09 0.00 0.00 178.44 180.84 1pd5 h ASN 206 N 0.05 0.76 0.77 -0.43 2.35 -1.04 -2.47 115.58 115.56 1pd5 h ASN 206 Ca -0.21 -0.15 -0.06 0.00 -0.55 0.00 0.00 56.30 55.32 1pd5 h ASN 206 Cb 1.98 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 40.14 1pd5 h ASN 206 CO 0.15 0.70 -0.29 -0.33 -1.65 0.00 0.00 177.43 176.00 1pd5 h GLU 207 N 0.76 0.00 -0.42 0.81 5.08 -0.54 -2.79 114.58 117.49 1pd5 h GLU 207 Ca 0.19 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 1pd5 h GLU 207 Cb 0.16 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1pd5 h GLU 207 CO -0.02 0.29 0.15 1.25 -1.00 0.00 0.00 179.01 179.68 1pd5 h LEU 208 N 0.00 0.59 -0.47 1.33 5.85 -0.64 -1.35 115.31 120.63 1pd5 h LEU 208 Ca -0.00 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.56 1pd5 h LEU 208 Cb 0.76 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 1pd5 h LEU 208 CO 0.04 0.62 0.26 -0.61 -0.34 0.00 0.00 178.44 178.41 1pd5 h GLN 209 N 0.53 0.51 0.14 1.25 5.75 -1.19 -0.38 115.11 121.72 1pd5 h GLN 209 Ca 0.14 -0.03 0.02 0.00 -0.15 0.00 0.00 58.65 58.62 1pd5 h GLN 209 Cb 0.22 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.63 1pd5 h GLN 209 CO -0.01 0.34 -0.27 1.96 -2.65 0.00 0.00 178.83 178.20 1pd5 h GLN 210 N 0.52 -0.48 -0.34 1.69 4.20 -1.48 -0.77 115.11 118.44 1pd5 h GLN 210 Ca 0.19 0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.95 1pd5 h GLN 210 Cb 0.05 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 1pd5 h GLN 210 CO -0.11 -0.32 0.23 1.88 -0.67 0.00 0.00 178.83 179.84 1pd5 h TYR 211 N -0.50 0.41 -0.42 2.96 0.99 -1.07 0.12 116.97 119.46 1pd5 h TYR 211 Ca 0.02 0.01 -0.09 0.00 2.00 0.00 0.00 58.73 60.67 1pd5 h TYR 211 Cb 0.52 -0.14 -0.01 0.00 1.00 0.00 0.00 36.73 38.09 1pd5 h TYR 211 CO -0.24 0.25 -0.09 0.00 -0.00 0.00 0.00 178.16 178.09 1pd5 h ASP 213 N 0.62 0.49 -0.59 0.00 3.32 0.55 -3.25 116.42 117.57 1pd5 h ASP 213 Ca 0.11 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1pd5 h ASP 213 Cb 0.61 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1pd5 h ASP 213 CO 0.04 1.18 0.00 -0.62 -1.72 0.00 0.00 179.24 178.12 1pd5 n GLU 214 N -3.74 2.49 -2.77 3.56 1.02 0.20 -4.79 120.64 116.60 1pd5 n GLU 214 Ca -0.06 -2.16 -0.42 0.00 -0.02 0.00 0.00 57.16 54.50 1pd5 n GLU 214 Cb 0.82 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.70 1pd5 n GLU 214 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 1pd5 s TRP 215 N -1.29 3.52 -0.60 -0.32 -0.00 -1.12 -4.87 118.94 114.26 1pd5 s TRP 215 Ca 0.40 1.51 0.24 0.00 -0.00 0.00 0.00 56.10 58.25 1pd5 s TRP 215 Cb 0.21 -3.11 0.42 0.00 -0.00 0.00 0.00 33.47 30.99 1pd5 s TRP 215 CO 0.26 -0.17 1.42 1.96 -0.00 0.00 0.00 176.95 180.42 1pd5 h GLN 216 N 7.07 0.00 0.00 5.86 1.08 -1.91 -3.47 115.11 123.74 1pd5 h GLN 216 Ca -0.33 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.87 1pd5 h GLN 216 Cb 1.16 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.59 1pd5 h GLN 216 CO 0.83 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 179.12 1pd5 n GLY 217 N 1.29 1.35 0.00 3.46 0.00 -1.26 -5.03 105.19 105.00 1pd5 n GLY 217 Ca 0.03 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1pd5 n GLY 217 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93