#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pn4 s VAL 6 N 0.00 5.00 -0.29 0.52 1.01 -1.26 -2.14 120.40 123.24 1pn4 s VAL 6 Ca 0.00 0.04 -0.09 0.00 0.00 0.00 0.00 61.98 61.93 1pn4 s VAL 6 Cb 0.00 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 1pn4 s VAL 6 CO 0.00 0.45 0.14 0.86 0.00 0.00 0.00 175.10 176.54 1pn4 s TRP 7 N 0.42 3.16 -0.21 5.22 -0.00 0.50 -4.79 118.94 123.23 1pn4 s TRP 7 Ca 0.05 -0.41 -0.08 0.00 -0.00 0.00 0.00 56.10 55.66 1pn4 s TRP 7 Cb -0.12 -2.33 -0.04 0.00 -0.00 0.00 0.00 33.47 30.98 1pn4 s TRP 7 CO -0.00 -0.38 0.08 1.03 -0.00 0.00 0.00 176.95 177.68 1pn4 s ARG 8 N 1.64 3.88 0.05 5.86 0.52 -1.26 -1.64 118.95 128.00 1pn4 s ARG 8 Ca 0.06 -0.38 -0.09 0.00 -0.52 0.00 0.00 55.73 54.79 1pn4 s ARG 8 Cb -0.16 -3.29 0.00 0.00 0.52 0.00 0.00 34.95 32.02 1pn4 s ARG 8 CO 0.06 0.10 0.19 -0.59 0.02 0.00 0.00 175.30 175.09 1pn4 s PHE 9 N 0.86 0.07 0.00 -0.53 -0.71 -1.06 -5.06 117.98 111.55 1pn4 s PHE 9 Ca 0.04 -0.32 0.00 0.00 -1.04 0.00 0.00 56.93 55.61 1pn4 s PHE 9 Cb -0.14 -0.03 0.00 0.00 -1.21 0.00 0.00 43.02 41.64 1pn4 s PHE 9 CO 0.02 -0.45 0.00 -0.40 -1.34 0.00 0.00 175.22 173.06 1pn4 n ASP 10 N 0.58 0.00 0.27 1.98 5.68 -1.26 -1.74 116.55 122.07 1pn4 n ASP 10 Ca -0.18 -0.58 0.11 0.00 -0.50 0.00 0.00 54.79 53.64 1pn4 n ASP 10 Cb 0.59 0.00 0.75 0.00 -1.14 0.00 0.00 41.12 41.32 1pn4 n ASP 10 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 1pn4 h ASP 11 N 0.00 0.00 -0.28 -1.12 3.04 -1.96 -1.37 116.42 114.73 1pn4 h ASP 11 Ca 0.00 0.00 0.03 0.00 -3.24 0.00 0.00 57.03 53.82 1pn4 h ASP 11 Cb 0.00 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.26 1pn4 h ASP 11 CO 0.00 0.05 0.11 -0.09 -2.04 0.00 0.00 179.24 177.27 1pn4 h ARG 12 N 0.00 0.24 -0.24 4.15 2.43 -1.97 0.71 114.38 119.70 1pn4 h ARG 12 Ca -0.00 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1pn4 h ARG 12 Cb 0.10 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1pn4 h ARG 12 CO 0.01 0.16 0.10 -0.44 -1.51 0.00 0.00 179.97 178.29 1pn4 h ASP 13 N 0.24 0.32 -0.17 -3.80 3.32 -1.63 -0.96 116.42 113.74 1pn4 h ASP 13 Ca 0.12 -0.15 0.05 0.00 0.02 0.00 0.00 57.03 57.08 1pn4 h ASP 13 Cb 0.07 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.48 1pn4 h ASP 13 CO -0.11 0.38 -0.21 0.58 -1.72 0.00 0.00 179.24 178.15 1pn4 h VAL 14 N 0.24 0.46 -0.43 -1.35 2.07 -1.27 -0.82 116.25 115.14 1pn4 h VAL 14 Ca 0.08 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.47 1pn4 h VAL 14 Cb 0.15 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1pn4 h VAL 14 CO -0.01 0.00 -0.22 0.40 0.02 0.00 0.00 177.57 177.76 1pn4 h ILE 15 N -0.25 1.27 -0.73 4.57 2.04 -0.74 -0.09 117.51 123.58 1pn4 h ILE 15 Ca 0.11 -1.37 -0.02 0.00 1.00 0.00 0.00 64.86 64.58 1pn4 h ILE 15 Cb 0.42 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 1pn4 h ILE 15 CO -0.32 0.47 0.36 0.25 0.00 0.00 0.00 178.15 178.91 1pn4 h LEU 16 N 0.74 0.93 0.18 1.44 5.85 -1.08 0.17 115.31 123.55 1pn4 h LEU 16 Ca 0.10 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1pn4 h LEU 16 Cb 0.79 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.58 1pn4 h LEU 16 CO 0.07 0.78 -0.09 0.22 -0.34 0.00 0.00 178.44 179.07 1pn4 h TYR 17 N 1.03 -0.23 -0.93 1.25 3.20 -0.91 -2.62 116.97 117.76 1pn4 h TYR 17 Ca 0.25 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.22 1pn4 h TYR 17 Cb 0.08 0.07 -0.08 0.00 1.54 0.00 0.00 36.73 38.35 1pn4 h TYR 17 CO 0.01 0.17 0.57 -0.91 -1.64 0.00 0.00 178.16 176.36 1pn4 h ASN 18 N -0.72 0.84 -0.26 -2.11 2.35 -0.85 -2.12 115.58 112.72 1pn4 h ASN 18 Ca -0.02 0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.74 1pn4 h ASN 18 Cb 0.50 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 1pn4 h ASN 18 CO 0.04 0.47 0.03 0.40 -1.65 0.00 0.00 177.43 176.73 1pn4 h ILE 19 N 0.94 1.23 -0.81 2.81 2.04 -1.01 -1.33 117.51 121.38 1pn4 h ILE 19 Ca 0.45 -0.80 0.15 0.00 1.00 0.00 0.00 64.86 65.66 1pn4 h ILE 19 Cb 0.39 1.26 -0.06 0.00 -0.74 0.00 0.00 36.82 37.68 1pn4 h ILE 19 CO -0.25 0.25 0.54 0.00 0.00 0.00 0.00 178.15 178.69 1pn4 h ALA 20 N 0.85 2.04 -0.19 1.87 0.00 -1.00 -0.35 119.26 122.48 1pn4 h ALA 20 Ca 0.08 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1pn4 h ALA 20 Cb 0.35 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1pn4 h ALA 20 CO 0.01 -0.26 0.00 1.28 0.00 0.00 0.00 179.25 180.27 1pn4 n LEU 21 N -4.51 1.06 0.00 0.00 4.77 -0.81 -4.88 117.00 112.63 1pn4 n LEU 21 Ca 0.16 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 1pn4 n LEU 21 Cb 0.53 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1pn4 n LEU 21 CO 0.32 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1pn4 n GLY 22 N 0.85 1.05 3.73 -0.72 0.00 -0.14 -4.69 105.19 105.26 1pn4 n GLY 22 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1pn4 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pn4 s ALA 23 N -2.00 3.60 0.51 4.61 0.00 -0.57 -4.99 121.76 122.92 1pn4 s ALA 23 Ca 0.00 1.21 0.03 0.00 0.00 0.00 0.00 51.96 53.20 1pn4 s ALA 23 Cb 0.00 -3.53 -0.00 0.00 0.00 0.00 0.00 23.12 19.58 1pn4 s ALA 23 CO 0.00 -0.65 0.13 0.95 0.00 0.00 0.00 175.76 176.19 1pn4 s THR 24 N 0.46 1.43 -0.69 0.00 -4.23 -1.26 -4.46 115.64 106.89 1pn4 s THR 24 Ca 0.61 -1.83 0.20 0.00 -1.18 0.00 0.00 61.69 59.49 1pn4 s THR 24 Cb -0.39 -2.26 0.20 0.00 1.34 0.00 0.00 72.50 71.39 1pn4 s THR 24 CO 0.37 0.00 1.62 0.35 -0.54 0.00 0.00 174.62 176.42 1pn4 n THR 25 N -1.39 0.88 0.28 3.99 -2.24 -1.26 -1.19 114.28 113.35 1pn4 n THR 25 Ca -0.12 0.22 0.18 0.00 -2.27 0.00 0.00 64.05 62.06 1pn4 n THR 25 Cb 0.66 -1.08 0.93 0.00 -2.10 0.00 0.00 70.33 68.74 1pn4 n THR 25 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1pn4 h LYS 26 N 0.00 0.00 -2.40 -0.78 1.57 -2.00 -3.29 116.57 109.67 1pn4 h LYS 26 Ca 0.00 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.18 1pn4 h LYS 26 Cb 0.33 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.23 1pn4 h LYS 26 CO 0.00 0.00 -0.70 1.04 -0.57 0.00 0.00 179.45 179.22 1pn4 n GLN 27 N -2.79 1.88 0.33 3.15 6.02 -0.34 -4.94 117.38 120.70 1pn4 n GLN 27 Ca -0.02 -4.28 0.21 0.00 -0.01 0.00 0.00 57.00 52.90 1pn4 n GLN 27 Cb 0.10 -2.05 1.11 0.00 1.02 0.00 0.00 30.24 30.42 1pn4 n GLN 27 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1pn4 h LEU 28 N 4.56 0.00 -2.04 1.08 3.38 -1.73 -0.67 115.31 119.89 1pn4 h LEU 28 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1pn4 h LEU 28 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1pn4 h LEU 28 CO 0.71 0.00 0.00 0.07 0.09 0.00 0.00 178.44 179.31 1pn4 h LYS 29 N 0.00 0.00 0.00 1.13 2.10 -1.86 -0.28 116.57 117.66 1pn4 h LYS 29 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 1pn4 h LYS 29 Cb 0.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.47 1pn4 h LYS 29 CO -0.00 0.00 -1.82 0.66 -2.00 0.00 0.00 179.45 176.29 1pn4 n TYR 30 N -3.07 0.00 -0.16 0.07 4.01 -0.27 -1.08 117.16 116.67 1pn4 n TYR 30 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1pn4 n TYR 30 Cb 0.21 -0.41 0.00 0.00 -0.31 0.00 0.00 39.34 38.83 1pn4 n TYR 30 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 1pn4 n VAL 31 N -2.12 0.19 -3.79 -0.72 0.24 -1.02 -4.50 118.33 106.60 1pn4 n VAL 31 Ca -0.03 -0.52 -0.28 0.00 -2.04 0.00 0.00 64.34 61.47 1pn4 n VAL 31 Cb 0.47 1.03 -0.16 0.00 -1.47 0.00 0.00 33.84 33.70 1pn4 n VAL 31 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1pn4 s TYR 32 N -0.19 1.38 0.23 6.34 5.04 -0.15 -5.01 117.35 124.99 1pn4 s TYR 32 Ca 0.00 -1.07 0.35 0.00 -2.44 0.00 0.00 57.07 53.91 1pn4 s TYR 32 Cb 0.00 -1.17 1.78 0.00 0.35 0.00 0.00 41.96 42.92 1pn4 s TYR 32 CO 0.00 -0.64 2.05 1.05 -1.34 0.00 0.00 175.55 176.67 1pn4 h GLU 33 N 8.17 0.00 -0.26 4.97 9.09 -1.93 -1.56 114.58 133.06 1pn4 h GLU 33 Ca -0.17 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.24 1pn4 h GLU 33 Cb 1.11 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.21 1pn4 h GLU 33 CO 0.36 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.51 1pn4 n ASN 34 N -2.78 3.22 -4.76 3.06 3.02 -1.26 -4.91 115.26 110.85 1pn4 n ASN 34 Ca -0.01 -1.98 -0.41 0.00 -0.03 0.00 0.00 54.58 52.15 1pn4 n ASN 34 Cb 0.12 -0.16 -0.03 0.00 -0.61 0.00 0.00 39.78 39.10 1pn4 n ASN 34 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1pn4 s ASP 35 N -1.67 6.95 0.58 6.41 2.15 -0.59 -4.91 116.67 125.60 1pn4 s ASP 35 Ca 0.35 2.52 0.29 0.00 0.43 0.00 0.00 52.55 56.14 1pn4 s ASP 35 Cb 0.22 -2.64 1.48 0.00 -0.30 0.00 0.00 42.92 41.68 1pn4 s ASP 35 CO 0.31 -0.40 1.91 0.77 -0.17 0.00 0.00 175.17 177.59 1pn4 h SER 36 N 3.73 0.00 -0.15 -0.34 4.64 -1.93 -1.71 113.55 117.79 1pn4 h SER 36 Ca -0.48 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.82 1pn4 h SER 36 Cb 1.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 1pn4 h SER 36 CO 0.67 0.00 -0.05 -0.67 -0.87 0.00 0.00 176.83 175.92 1pn4 n ASP 37 N -3.78 2.95 -4.64 4.97 2.03 -1.26 -5.04 116.55 111.78 1pn4 n ASP 37 Ca 0.09 -3.21 -0.45 0.00 0.52 0.00 0.00 54.79 51.74 1pn4 n ASP 37 Cb 0.67 -0.51 -0.02 0.00 -0.72 0.00 0.00 41.12 40.54 1pn4 n ASP 37 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1pn4 n PHE 38 N -1.00 1.75 -3.52 -0.67 7.35 -0.65 -4.78 117.46 115.94 1pn4 n PHE 38 Ca 0.21 0.60 -0.10 0.00 -0.76 0.00 0.00 57.45 57.39 1pn4 n PHE 38 Cb 0.80 -2.35 -0.03 0.00 0.35 0.00 0.00 39.48 38.25 1pn4 n PHE 38 CO 0.00 0.00 0.00 1.14 -0.76 0.00 0.00 176.76 177.14 1pn4 s GLN 39 N -1.24 0.79 -0.06 -4.13 -2.07 -0.24 -5.03 119.66 107.69 1pn4 s GLN 39 Ca 0.62 -0.11 0.02 0.00 -1.82 0.00 0.00 55.36 54.07 1pn4 s GLN 39 Cb -0.67 0.37 -0.03 0.00 -1.09 0.00 0.00 33.01 31.59 1pn4 s GLN 39 CO 0.57 -0.31 -0.11 0.54 -1.32 0.00 0.00 175.29 174.66 1pn4 s VAL 40 N -2.31 3.31 0.08 3.63 0.11 -1.26 -4.49 120.40 119.47 1pn4 s VAL 40 Ca 0.01 -0.63 -0.31 0.00 -2.93 0.00 0.00 61.98 58.13 1pn4 s VAL 40 Cb -0.01 -2.32 -0.09 0.00 -1.53 0.00 0.00 36.38 32.43 1pn4 s VAL 40 CO -0.04 0.59 1.78 -0.63 -3.33 0.00 0.00 175.10 173.48 1pn4 s ILE 41 N -0.73 2.84 -0.15 7.04 1.01 -1.26 -4.86 121.20 125.08 1pn4 s ILE 41 Ca 0.11 0.23 0.27 0.00 0.00 0.00 0.00 60.65 61.26 1pn4 s ILE 41 Cb -0.11 -3.15 0.28 0.00 0.01 0.00 0.00 42.46 39.50 1pn4 s ILE 41 CO 0.01 -0.00 1.82 1.55 0.00 0.00 0.00 174.94 178.31 1pn4 h PRO 42 N 8.87 0.00 0.00 2.79 0.13 -1.98 -1.83 132.00 139.98 1pn4 h PRO 42 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1pn4 h PRO 42 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1pn4 h PRO 42 CO 0.94 0.00 0.00 1.79 -0.23 0.00 0.00 178.00 180.50 1pn4 h THR 43 N 0.00 0.00 -1.18 1.56 1.35 -1.94 -2.43 112.91 110.27 1pn4 h THR 43 Ca 0.00 -0.12 0.34 0.00 -0.55 0.00 0.00 66.41 66.09 1pn4 h THR 43 Cb 0.21 0.74 -0.05 0.00 -1.73 0.00 0.00 68.15 67.32 1pn4 h THR 43 CO 0.00 0.00 0.91 0.15 -0.25 0.00 0.00 175.52 176.33 1pn4 h PHE 44 N 0.00 0.00 0.00 4.73 3.57 -1.70 -1.58 116.94 121.96 1pn4 h PHE 44 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1pn4 h PHE 44 Cb 0.17 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.91 1pn4 h PHE 44 CO 0.00 0.00 0.00 0.78 -2.23 0.00 0.00 178.31 176.86 1pn4 h GLY 45 N 0.00 0.00 2.00 2.40 0.00 -1.70 -1.95 103.07 103.83 1pn4 h GLY 45 Ca 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.88 1pn4 h GLY 45 CO -0.01 0.00 -0.08 1.12 0.00 0.00 0.00 176.54 177.58 1pn4 h HIS 46 N 0.00 0.00 0.00 5.60 2.07 -1.53 -3.29 115.15 117.99 1pn4 h HIS 46 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1pn4 h HIS 46 Cb 0.34 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.32 1pn4 h HIS 46 CO 0.00 0.08 0.00 1.28 -3.07 0.00 0.00 177.93 176.22 1pn4 n LEU 47 N -3.36 0.00 0.06 6.12 4.77 -0.73 -0.50 117.00 123.36 1pn4 n LEU 47 Ca -0.01 0.49 0.19 0.00 -0.03 0.00 0.00 56.01 56.65 1pn4 n LEU 47 Cb 0.24 -0.49 0.73 0.00 -2.33 0.00 0.00 43.42 41.57 1pn4 n LEU 47 CO 0.28 -0.33 1.17 0.16 -1.33 0.00 0.00 177.39 177.34 1pn4 h ILE 48 N 0.00 0.62 -0.84 -0.08 -0.00 -1.80 -1.55 117.51 113.86 1pn4 h ILE 48 Ca 0.00 0.00 0.21 0.00 -0.00 0.00 0.00 64.86 65.07 1pn4 h ILE 48 Cb 0.16 0.75 -0.05 0.00 -0.00 0.00 0.00 36.82 37.68 1pn4 h ILE 48 CO 0.00 0.00 0.57 0.74 -0.00 0.00 0.00 178.15 179.46 1pn4 h THR 49 N 0.00 0.66 0.00 0.16 2.02 -1.10 -3.12 112.91 111.54 1pn4 h THR 49 Ca 0.20 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.30 1pn4 h THR 49 Cb 0.90 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1pn4 h THR 49 CO -0.00 0.04 -1.13 0.49 0.37 0.00 0.00 175.52 175.30 1pn4 n PHE 50 N -4.42 0.00 -1.07 3.16 3.72 -0.65 -4.74 117.46 113.45 1pn4 n PHE 50 Ca 0.17 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.67 1pn4 n PHE 50 Cb 0.74 -0.09 0.16 0.00 -0.94 0.00 0.00 39.48 39.36 1pn4 n PHE 50 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1pn4 n ASN 51 N -1.61 2.61 -1.06 4.37 3.02 -0.78 -4.53 115.26 117.27 1pn4 n ASN 51 Ca -0.01 -3.10 0.10 0.00 -0.03 0.00 0.00 54.58 51.54 1pn4 n ASN 51 Cb 0.11 -0.45 0.23 0.00 -0.61 0.00 0.00 39.78 39.05 1pn4 n ASN 51 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1pn4 n SER 52 N -1.27 3.42 -0.22 6.41 7.64 -1.18 -4.02 113.62 124.41 1pn4 n SER 52 Ca 0.17 -1.96 0.00 0.00 1.01 0.00 0.00 58.87 58.09 1pn4 n SER 52 Cb 0.69 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 1pn4 n SER 52 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pn4 n GLY 53 N 1.27 -0.87 0.36 0.23 0.00 -1.26 -4.28 105.19 100.65 1pn4 n GLY 53 Ca 0.19 -1.14 0.18 0.00 0.00 0.00 0.00 46.02 45.24 1pn4 n GLY 53 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1pn4 h LYS 54 N 0.00 0.55 0.00 1.61 3.64 -1.99 -1.59 116.57 118.80 1pn4 h LYS 54 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1pn4 h LYS 54 Cb 0.00 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1pn4 h LYS 54 CO 0.00 0.37 0.06 0.66 -2.27 0.00 0.00 179.45 178.26 1pn4 h SER 55 N 0.57 0.00 0.74 4.20 4.64 -2.00 -1.98 113.55 119.72 1pn4 h SER 55 Ca 0.62 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.94 1pn4 h SER 55 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1pn4 h SER 55 CO -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.54 1pn4 n GLN 56 N -2.89 0.19 -0.18 4.77 10.64 -0.60 -2.25 117.38 127.07 1pn4 n GLN 56 Ca -0.03 0.42 0.10 0.00 -1.83 0.00 0.00 57.00 55.67 1pn4 n GLN 56 Cb 0.11 -1.87 0.27 0.00 -0.86 0.00 0.00 30.24 27.90 1pn4 n GLN 56 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1pn4 n ASN 57 N -2.23 2.74 0.25 2.61 3.02 -0.74 -4.53 115.26 116.36 1pn4 n ASN 57 Ca 0.02 -1.91 0.17 0.00 -0.03 0.00 0.00 54.58 52.83 1pn4 n ASN 57 Cb 0.23 -0.24 0.83 0.00 -0.61 0.00 0.00 39.78 39.99 1pn4 n ASN 57 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1pn4 h SER 58 N 3.39 0.00 -0.19 6.41 4.64 -1.62 -1.97 113.55 124.21 1pn4 h SER 58 Ca 0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 1pn4 h SER 58 Cb 0.75 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.83 1pn4 h SER 58 CO 0.00 0.00 0.13 2.19 -0.87 0.00 0.00 176.83 178.28 1pn4 h PHE 59 N 0.00 0.16 0.00 4.77 -5.15 -1.85 -3.13 116.94 111.75 1pn4 h PHE 59 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1pn4 h PHE 59 Cb 0.16 -0.05 0.00 0.00 0.22 0.00 0.00 35.95 36.28 1pn4 h PHE 59 CO 0.00 0.10 0.00 0.00 -2.00 0.00 0.00 178.31 176.41 1pn4 n ALA 60 N -2.53 1.52 0.22 12.09 0.00 -0.74 -2.31 120.51 128.76 1pn4 n ALA 60 Ca 0.01 0.11 0.15 0.00 0.00 0.00 0.00 53.44 53.71 1pn4 n ALA 60 Cb 0.15 -1.37 0.80 0.00 0.00 0.00 0.00 19.45 19.02 1pn4 n ALA 60 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1pn4 h LYS 61 N 0.00 0.00 -0.01 0.00 1.57 -1.76 -2.61 116.57 113.76 1pn4 h LYS 61 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1pn4 h LYS 61 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1pn4 h LYS 61 CO 0.00 0.00 -0.21 1.28 -0.57 0.00 0.00 179.45 179.95 1pn4 n LEU 62 N -4.05 1.61 -4.71 2.94 4.77 -0.98 -4.91 117.00 111.68 1pn4 n LEU 62 Ca 0.00 -0.52 -0.35 0.00 -0.03 0.00 0.00 56.01 55.11 1pn4 n LEU 62 Cb 0.23 -0.05 -0.09 0.00 -2.33 0.00 0.00 43.42 41.18 1pn4 n LEU 62 CO 0.30 0.28 -0.26 -0.76 -1.33 0.00 0.00 177.39 175.62 1pn4 s LEU 63 N -2.31 3.82 -0.14 2.23 1.43 -0.99 -4.47 118.68 118.26 1pn4 s LEU 63 Ca 0.27 0.19 -0.05 0.00 -1.03 0.00 0.00 54.13 53.51 1pn4 s LEU 63 Cb 0.20 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 1pn4 s LEU 63 CO 0.46 0.32 0.05 -0.13 0.23 0.00 0.00 176.35 177.27 1pn4 s ARG 64 N -0.51 3.59 -1.32 1.70 0.52 0.15 -4.62 118.95 118.46 1pn4 s ARG 64 Ca 0.10 -0.34 -0.07 0.00 -0.52 0.00 0.00 55.73 54.90 1pn4 s ARG 64 Cb -0.12 -3.07 0.01 0.00 0.52 0.00 0.00 34.95 32.30 1pn4 s ARG 64 CO 0.02 0.47 1.12 0.09 0.02 0.00 0.00 175.30 177.02 1pn4 n ASN 65 N 2.90 -5.06 -4.65 0.23 3.02 -1.26 -1.38 115.26 109.05 1pn4 n ASN 65 Ca -0.18 -0.57 -0.43 0.00 -0.03 0.00 0.00 54.58 53.37 1pn4 n ASN 65 Cb 0.53 -5.01 -0.02 0.00 -0.61 0.00 0.00 39.78 34.67 1pn4 n ASN 65 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1pn4 s PHE 66 N -3.34 3.18 -0.30 3.10 5.36 -1.26 -4.49 117.98 120.23 1pn4 s PHE 66 Ca 0.42 1.30 -0.00 0.00 -0.96 0.00 0.00 56.93 57.69 1pn4 s PHE 66 Cb -0.19 -3.43 0.06 0.00 -0.34 0.00 0.00 43.02 39.12 1pn4 s PHE 66 CO 0.73 -0.83 -0.02 1.21 -1.46 0.00 0.00 175.22 174.85 1pn4 s ASN 67 N 1.52 4.78 0.62 6.13 3.84 -1.26 -4.99 114.94 125.58 1pn4 s ASN 67 Ca 0.47 -1.38 0.35 0.00 0.21 0.00 0.00 52.86 52.51 1pn4 s ASN 67 Cb -0.16 -1.67 2.05 0.00 -0.55 0.00 0.00 41.25 40.92 1pn4 s ASN 67 CO 0.10 -0.26 2.30 1.55 -2.79 0.00 0.00 177.10 178.00 1pn4 h PRO 68 N 7.92 0.00 -0.33 0.43 0.13 -1.98 0.04 132.00 138.21 1pn4 h PRO 68 Ca -0.19 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.02 1pn4 h PRO 68 Cb 1.05 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 1pn4 h PRO 68 CO 0.52 0.00 0.23 1.98 -0.23 0.00 0.00 178.00 180.51 1pn4 h MET 69 N 0.00 0.05 -0.65 0.86 4.05 -1.99 -2.49 114.93 114.76 1pn4 h MET 69 Ca -0.00 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1pn4 h MET 69 Cb 0.01 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 1pn4 h MET 69 CO 0.00 0.04 0.00 1.28 0.23 0.00 0.00 176.91 178.46 1pn4 n LEU 70 N -4.45 3.64 -4.82 3.39 4.77 0.00 -4.67 117.00 114.86 1pn4 n LEU 70 Ca 0.05 -1.82 -0.38 0.00 -0.03 0.00 0.00 56.01 53.82 1pn4 n LEU 70 Cb 0.37 -0.46 -0.06 0.00 -2.33 0.00 0.00 43.42 40.94 1pn4 n LEU 70 CO 0.35 0.84 0.21 -0.22 -1.33 0.00 0.00 177.39 177.25 1pn4 s LEU 71 N -1.14 4.51 0.03 2.23 0.20 -0.94 -1.33 118.68 122.25 1pn4 s LEU 71 Ca 0.44 1.16 0.05 0.00 0.69 0.00 0.00 54.13 56.47 1pn4 s LEU 71 Cb 0.24 -2.79 -0.02 0.00 -0.43 0.00 0.00 46.19 43.18 1pn4 s LEU 71 CO 0.28 0.29 -0.16 -0.76 -0.29 0.00 0.00 176.35 175.71 1pn4 s LEU 72 N -1.11 2.15 -0.19 -0.68 1.43 0.87 -4.99 118.68 116.17 1pn4 s LEU 72 Ca 0.27 -0.45 -0.29 0.00 -1.03 0.00 0.00 54.13 52.63 1pn4 s LEU 72 Cb -0.19 -0.72 -0.02 0.00 0.03 0.00 0.00 46.19 45.29 1pn4 s LEU 72 CO 0.17 0.09 1.42 -2.28 0.23 0.00 0.00 176.35 175.98 1pn4 s HIS 73 N -0.77 2.48 -0.26 0.29 5.65 -1.26 -0.42 115.29 121.00 1pn4 s HIS 73 Ca 0.04 0.72 -0.16 0.00 0.25 0.00 0.00 55.06 55.91 1pn4 s HIS 73 Cb -0.08 -3.78 -0.14 0.00 -1.18 0.00 0.00 32.58 27.41 1pn4 s HIS 73 CO 0.01 -2.38 -0.20 0.41 -0.65 0.00 0.00 174.74 171.93 1pn4 n GLY 74 N 4.10 -0.56 3.15 1.59 0.00 0.76 -4.62 105.19 109.61 1pn4 n GLY 74 Ca 0.16 -0.07 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 1pn4 n GLY 74 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pn4 s GLU 75 N -2.48 0.78 -0.03 1.61 2.02 -0.81 -0.23 118.70 119.56 1pn4 s GLU 75 Ca -0.36 -1.22 -0.03 0.00 0.02 0.00 0.00 54.97 53.38 1pn4 s GLU 75 Cb 0.12 0.26 0.01 0.00 0.10 0.00 0.00 34.13 34.62 1pn4 s GLU 75 CO 0.51 -0.20 0.08 -1.58 0.02 0.00 0.00 175.26 174.09 1pn4 s HIS 76 N -3.95 -0.09 -0.04 1.61 2.46 -0.29 -1.38 115.29 113.62 1pn4 s HIS 76 Ca 0.12 0.24 0.05 0.00 0.47 0.00 0.00 55.06 55.94 1pn4 s HIS 76 Cb 0.07 -0.01 -0.01 0.00 -0.13 0.00 0.00 32.58 32.51 1pn4 s HIS 76 CO -0.06 -0.06 -0.17 -0.47 -2.47 0.00 0.00 174.74 171.50 1pn4 s TYR 77 N 0.27 1.69 -0.08 3.88 5.04 -0.41 -1.19 117.35 126.55 1pn4 s TYR 77 Ca -0.02 -0.44 -0.04 0.00 -2.44 0.00 0.00 57.07 54.13 1pn4 s TYR 77 Cb -0.03 -1.13 0.04 0.00 0.35 0.00 0.00 41.96 41.20 1pn4 s TYR 77 CO -0.01 -0.13 0.19 -1.17 -1.34 0.00 0.00 175.55 173.09 1pn4 s LEU 78 N -0.08 0.53 -0.06 6.97 2.96 -0.00 -0.63 118.68 128.37 1pn4 s LEU 78 Ca -0.01 0.40 0.06 0.00 -0.22 0.00 0.00 54.13 54.36 1pn4 s LEU 78 Cb -0.10 0.52 -0.01 0.00 0.50 0.00 0.00 46.19 47.10 1pn4 s LEU 78 CO 0.01 -0.16 -0.24 -0.75 -1.32 0.00 0.00 176.35 173.89 1pn4 s LYS 79 N 1.30 2.50 -0.38 1.98 2.20 -0.02 -1.07 119.74 126.25 1pn4 s LYS 79 Ca -0.08 -0.86 -0.12 0.00 -0.36 0.00 0.00 55.97 54.54 1pn4 s LYS 79 Cb -0.11 -2.10 0.02 0.00 -1.51 0.00 0.00 37.83 34.14 1pn4 s LYS 79 CO -0.07 0.34 0.24 0.08 -0.36 0.00 0.00 175.35 175.58 1pn4 s VAL 80 N -0.08 4.84 -0.26 4.02 1.01 0.23 -1.07 120.40 129.08 1pn4 s VAL 80 Ca -0.05 -0.76 0.21 0.00 0.00 0.00 0.00 61.98 61.37 1pn4 s VAL 80 Cb -0.14 -3.69 0.06 0.00 0.00 0.00 0.00 36.38 32.61 1pn4 s VAL 80 CO 0.04 -0.25 1.16 0.45 0.00 0.00 0.00 175.10 176.50 1pn4 h HIS 81 N 8.50 0.00 -3.48 5.22 -0.00 -1.11 -3.45 115.15 120.83 1pn4 h HIS 81 Ca -0.26 0.00 -0.57 0.00 -0.00 0.00 0.00 60.37 59.53 1pn4 h HIS 81 Cb 1.11 0.00 -0.39 0.00 -0.00 0.00 0.00 27.41 28.14 1pn4 h HIS 81 CO 0.57 0.12 -0.78 0.45 -0.00 0.00 0.00 177.93 178.29 1pn4 s SER 82 N -5.69 3.42 -0.08 2.45 0.15 -1.23 -4.96 113.70 107.76 1pn4 s SER 82 Ca 0.01 -0.99 0.01 0.00 0.70 0.00 0.00 55.95 55.68 1pn4 s SER 82 Cb 0.08 -0.97 -0.03 0.00 -1.71 0.00 0.00 66.02 63.39 1pn4 s SER 82 CO 0.76 -0.25 -0.08 0.86 1.20 0.00 0.00 173.24 175.73 1pn4 s TRP 83 N 1.57 2.90 0.65 3.44 -0.11 -1.26 -3.44 118.94 122.68 1pn4 s TRP 83 Ca -0.03 -0.09 -0.11 0.00 1.22 0.00 0.00 56.10 57.09 1pn4 s TRP 83 Cb -0.18 -1.73 -0.02 0.00 -1.50 0.00 0.00 33.47 30.04 1pn4 s TRP 83 CO -0.07 0.23 1.04 -1.25 -4.62 0.00 0.00 176.95 172.28 1pn4 s PRO 84 N -0.59 3.37 0.39 5.86 0.04 -1.26 -5.09 135.00 137.72 1pn4 s PRO 84 Ca 0.09 0.82 -0.27 0.00 0.04 0.00 0.00 61.00 61.68 1pn4 s PRO 84 Cb -0.12 -2.05 -0.10 0.00 0.04 0.00 0.00 34.50 32.28 1pn4 s PRO 84 CO 0.02 -0.76 1.40 -1.25 0.04 0.00 0.00 177.00 176.45 1pn4 s PRO 85 N -5.13 4.01 0.45 0.56 0.04 -1.22 -4.92 135.00 128.79 1pn4 s PRO 85 Ca 0.56 2.39 -0.24 0.00 0.04 0.00 0.00 61.00 63.75 1pn4 s PRO 85 Cb -0.12 -2.86 -0.07 0.00 0.04 0.00 0.00 34.50 31.48 1pn4 s PRO 85 CO 0.54 -0.54 1.23 -1.25 0.04 0.00 0.00 177.00 177.02 1pn4 s PRO 86 N -2.16 3.77 0.03 0.56 0.04 -1.26 -4.70 135.00 131.28 1pn4 s PRO 86 Ca 0.55 1.95 0.22 0.00 0.04 0.00 0.00 61.00 63.76 1pn4 s PRO 86 Cb -0.43 -2.52 -0.12 0.00 0.04 0.00 0.00 34.50 31.47 1pn4 s PRO 86 CO 0.57 -0.59 0.84 0.25 0.04 0.00 0.00 177.00 178.11 1pn4 n THR 87 N -0.31 0.13 -3.85 1.26 -2.24 -1.26 -4.90 114.28 103.10 1pn4 n THR 87 Ca 0.06 -0.31 -0.11 0.00 -2.27 0.00 0.00 64.05 61.43 1pn4 n THR 87 Cb 0.46 0.23 -0.09 0.00 -2.10 0.00 0.00 70.33 68.83 1pn4 n THR 87 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1pn4 s GLU 88 N -3.28 0.62 0.00 -0.78 -1.05 -1.26 -2.92 118.70 110.03 1pn4 s GLU 88 Ca 0.00 -0.54 0.00 0.00 -0.15 0.00 0.00 54.97 54.28 1pn4 s GLU 88 Cb 0.14 0.26 0.00 0.00 -0.44 0.00 0.00 34.13 34.09 1pn4 s GLU 88 CO 0.85 -0.17 0.00 0.41 0.95 0.00 0.00 175.26 177.30 1pn4 n GLY 89 N 0.95 0.63 2.82 -3.83 0.00 -0.71 -4.99 105.19 100.06 1pn4 n GLY 89 Ca -0.20 -1.60 -0.21 0.00 0.00 0.00 0.00 46.02 44.02 1pn4 n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pn4 s GLU 90 N -2.00 0.64 -0.10 1.61 2.02 -1.26 -2.55 118.70 117.06 1pn4 s GLU 90 Ca 0.00 0.02 0.03 0.00 0.02 0.00 0.00 54.97 55.04 1pn4 s GLU 90 Cb 0.00 -0.84 0.01 0.00 0.10 0.00 0.00 34.13 33.40 1pn4 s GLU 90 CO 0.00 -0.19 -0.19 0.42 0.02 0.00 0.00 175.26 175.32 1pn4 s ILE 91 N 1.41 1.72 -0.22 -1.63 1.01 -0.65 -0.59 121.20 122.26 1pn4 s ILE 91 Ca -0.04 -0.81 -0.10 0.00 0.00 0.00 0.00 60.65 59.70 1pn4 s ILE 91 Cb -0.13 -1.52 -0.05 0.00 0.01 0.00 0.00 42.46 40.76 1pn4 s ILE 91 CO -0.03 0.49 0.15 -0.75 0.00 0.00 0.00 174.94 174.80 1pn4 s LYS 92 N 0.61 4.14 -0.06 2.79 2.20 0.05 -0.37 119.74 129.11 1pn4 s LYS 92 Ca -0.14 -0.23 0.02 0.00 -0.36 0.00 0.00 55.97 55.26 1pn4 s LYS 92 Cb -0.17 -3.47 -0.03 0.00 -1.51 0.00 0.00 37.83 32.66 1pn4 s LYS 92 CO 0.04 0.19 -0.11 0.99 -0.36 0.00 0.00 175.35 176.10 1pn4 s THR 93 N 0.67 3.33 -0.10 3.43 2.01 -0.91 -0.91 115.64 123.16 1pn4 s THR 93 Ca 0.08 -0.62 0.02 0.00 0.31 0.00 0.00 61.69 61.48 1pn4 s THR 93 Cb -0.12 -2.33 -0.01 0.00 0.01 0.00 0.00 72.50 70.05 1pn4 s THR 93 CO 0.01 0.59 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.47 1pn4 s THR 94 N -0.74 2.71 0.16 -0.82 2.01 -0.62 -4.83 115.64 113.50 1pn4 s THR 94 Ca 0.11 -0.80 0.07 0.00 0.31 0.00 0.00 61.69 61.38 1pn4 s THR 94 Cb -0.11 -2.09 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 1pn4 s THR 94 CO 0.01 0.55 0.01 -0.36 -0.69 0.00 0.00 174.62 174.13 1pn4 s PHE 95 N 0.11 2.89 -0.07 4.92 0.40 -1.26 -1.63 117.98 123.34 1pn4 s PHE 95 Ca -0.08 -0.11 -0.20 0.00 -0.60 0.00 0.00 56.93 55.93 1pn4 s PHE 95 Cb -0.15 -1.41 0.04 0.00 0.51 0.00 0.00 43.02 42.01 1pn4 s PHE 95 CO 0.05 0.51 0.47 -1.83 0.70 0.00 0.00 175.22 175.12 1pn4 s GLU 96 N -2.83 0.76 0.49 0.44 -1.05 0.06 -4.99 118.70 111.58 1pn4 s GLU 96 Ca 0.27 0.19 -0.21 0.00 -0.15 0.00 0.00 54.97 55.07 1pn4 s GLU 96 Cb -0.10 0.35 -0.08 0.00 -0.44 0.00 0.00 34.13 33.87 1pn4 s GLU 96 CO 0.19 -0.20 1.06 -1.25 0.95 0.00 0.00 175.26 176.02 1pn4 s PRO 97 N -0.85 3.75 -0.06 -4.83 0.04 -1.26 -0.61 135.00 131.18 1pn4 s PRO 97 Ca -0.09 1.45 -0.02 0.00 0.04 0.00 0.00 61.00 62.38 1pn4 s PRO 97 Cb -0.03 -2.14 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 1pn4 s PRO 97 CO 0.05 -0.49 -0.07 -0.89 0.04 0.00 0.00 177.00 175.64 1pn4 n ILE 98 N -0.91 0.34 -3.57 0.56 5.41 -0.30 -4.27 119.36 116.61 1pn4 n ILE 98 Ca 0.09 -0.11 -0.13 0.00 1.00 0.00 0.00 62.75 63.60 1pn4 n ILE 98 Cb 0.52 -1.21 -0.06 0.00 -0.71 0.00 0.00 39.64 38.18 1pn4 n ILE 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1pn4 s ALA 99 N -2.12 -1.86 -0.06 -1.39 0.00 -1.09 -0.91 121.76 114.34 1pn4 s ALA 99 Ca -0.08 1.59 0.04 0.00 0.00 0.00 0.00 51.96 53.50 1pn4 s ALA 99 Cb 0.03 -0.62 -0.00 0.00 0.00 0.00 0.00 23.12 22.53 1pn4 s ALA 99 CO 0.12 -0.32 -0.19 0.95 0.00 0.00 0.00 175.76 176.32 1pn4 s THR 100 N -0.77 1.57 -0.14 0.00 -4.23 -0.47 -0.09 115.64 111.52 1pn4 s THR 100 Ca -0.04 -0.78 -0.04 0.00 -1.18 0.00 0.00 61.69 59.65 1pn4 s THR 100 Cb -0.01 -1.36 0.05 0.00 1.34 0.00 0.00 72.50 72.52 1pn4 s THR 100 CO 0.03 0.45 0.06 -0.89 -0.54 0.00 0.00 174.62 173.74 1pn4 s THR 101 N 0.14 0.08 0.19 3.99 2.01 0.01 -1.42 115.64 120.63 1pn4 s THR 101 Ca -0.07 -0.09 -0.33 0.00 0.31 0.00 0.00 61.69 61.50 1pn4 s THR 101 Cb -0.13 -0.58 -0.14 0.00 0.01 0.00 0.00 72.50 71.66 1pn4 s THR 101 CO 0.04 -0.12 1.45 -2.65 -0.69 0.00 0.00 174.62 172.64 1pn4 n PRO 102 N 5.22 1.94 -3.74 4.92 -0.02 -1.26 -1.27 135.00 140.79 1pn4 n PRO 102 Ca -0.07 0.69 -0.30 0.00 -2.02 0.00 0.00 63.50 61.81 1pn4 n PRO 102 Cb 0.49 -2.38 -0.13 0.00 -0.02 0.00 0.00 33.50 31.46 1pn4 n PRO 102 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1pn4 s LYS 103 N 0.17 1.38 7.80 -0.52 -0.14 0.09 -4.89 119.74 123.63 1pn4 s LYS 103 Ca 0.74 -2.10 0.00 0.00 -1.36 0.00 0.00 55.97 53.25 1pn4 s LYS 103 Cb -0.70 -2.46 0.00 0.00 -1.68 0.00 0.00 37.83 32.99 1pn4 s LYS 103 CO 0.45 -1.16 0.00 0.41 -0.76 0.00 0.00 175.35 174.29 1pn4 n GLY 104 N 3.47 3.41 0.47 -3.33 0.00 -1.26 -1.25 105.19 106.70 1pn4 n GLY 104 Ca 0.08 -0.12 0.06 0.00 0.00 0.00 0.00 46.02 46.05 1pn4 n GLY 104 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pn4 n THR 105 N 0.00 0.29 -3.60 2.61 -2.24 -1.26 -4.86 114.28 105.21 1pn4 n THR 105 Ca 0.00 -0.33 -0.20 0.00 -2.27 0.00 0.00 64.05 61.25 1pn4 n THR 105 Cb 0.00 0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.39 1pn4 n THR 105 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1pn4 s ASN 106 N -1.21 5.26 -0.00 3.42 0.01 -0.38 -1.94 114.94 120.11 1pn4 s ASN 106 Ca 0.23 -0.58 0.03 0.00 -0.71 0.00 0.00 52.86 51.83 1pn4 s ASN 106 Cb 0.12 -0.78 -0.01 0.00 0.41 0.00 0.00 41.25 40.99 1pn4 s ASN 106 CO 0.17 -0.53 -0.09 -0.69 -1.51 0.00 0.00 177.10 174.46 1pn4 s VAL 107 N -2.37 0.68 -0.25 1.60 1.01 -0.61 -0.73 120.40 119.72 1pn4 s VAL 107 Ca 0.46 -0.40 -0.04 0.00 0.00 0.00 0.00 61.98 62.00 1pn4 s VAL 107 Cb -0.05 -0.58 0.01 0.00 0.00 0.00 0.00 36.38 35.76 1pn4 s VAL 107 CO 0.28 0.17 -0.01 -0.69 0.00 0.00 0.00 175.10 174.86 1pn4 s VAL 108 N -0.24 3.43 -0.03 2.92 1.01 -0.40 -0.78 120.40 126.31 1pn4 s VAL 108 Ca 0.03 -0.71 0.07 0.00 0.00 0.00 0.00 61.98 61.36 1pn4 s VAL 108 Cb -0.04 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 1pn4 s VAL 108 CO -0.00 0.24 -0.24 -0.51 0.00 0.00 0.00 175.10 174.59 1pn4 s ILE 109 N 1.44 2.25 -0.17 2.22 2.07 -0.73 -0.81 121.20 127.47 1pn4 s ILE 109 Ca 0.03 -1.03 -0.01 0.00 -1.41 0.00 0.00 60.65 58.23 1pn4 s ILE 109 Cb -0.16 -1.80 -0.00 0.00 0.13 0.00 0.00 42.46 40.62 1pn4 s ILE 109 CO -0.02 0.58 -0.12 -0.69 -1.91 0.00 0.00 174.94 172.78 1pn4 s VAL 110 N -0.56 2.85 -0.20 4.00 1.01 0.87 -0.26 120.40 128.11 1pn4 s VAL 110 Ca 0.08 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1pn4 s VAL 110 Cb -0.11 -2.23 0.03 0.00 0.00 0.00 0.00 36.38 34.06 1pn4 s VAL 110 CO 0.00 0.49 -0.17 -2.28 0.00 0.00 0.00 175.10 173.15 1pn4 s HIS 111 N 1.02 2.89 0.13 5.22 2.46 0.12 -1.16 115.29 125.97 1pn4 s HIS 111 Ca -0.01 -1.71 0.04 0.00 0.47 0.00 0.00 55.06 53.84 1pn4 s HIS 111 Cb -0.15 -1.94 -0.04 0.00 -0.13 0.00 0.00 32.58 30.32 1pn4 s HIS 111 CO -0.02 -0.80 0.14 0.20 -2.47 0.00 0.00 174.74 171.79 1pn4 s GLY 112 N 1.27 1.83 0.06 1.59 0.00 0.22 -1.37 107.32 110.92 1pn4 s GLY 112 Ca 0.02 -1.11 -0.18 0.00 0.00 0.00 0.00 44.72 43.45 1pn4 s GLY 112 CO -0.11 -1.11 0.42 -1.35 0.00 0.00 0.00 173.10 170.96 1pn4 s SER 113 N -2.87 -0.29 -0.04 1.64 1.04 -0.02 -0.76 113.70 112.40 1pn4 s SER 113 Ca 0.31 -0.05 0.03 0.00 0.48 0.00 0.00 55.95 56.72 1pn4 s SER 113 Cb -0.11 0.44 0.01 0.00 0.10 0.00 0.00 66.02 66.46 1pn4 s SER 113 CO 0.24 -0.71 -0.11 -0.54 0.98 0.00 0.00 173.24 173.10 1pn4 s LYS 114 N -2.75 1.33 -0.23 4.02 -0.14 -0.64 -2.24 119.74 119.09 1pn4 s LYS 114 Ca -0.04 -0.38 0.02 0.00 -1.36 0.00 0.00 55.97 54.21 1pn4 s LYS 114 Cb -0.00 -1.17 0.05 0.00 -1.68 0.00 0.00 37.83 35.03 1pn4 s LYS 114 CO -0.04 0.10 -0.11 -1.12 -0.76 0.00 0.00 175.35 173.42 1pn4 s SER 115 N 0.37 3.90 0.19 2.83 0.01 0.02 -1.59 113.70 119.42 1pn4 s SER 115 Ca -0.07 -1.13 0.07 0.00 1.31 0.00 0.00 55.95 56.12 1pn4 s SER 115 Cb -0.12 -1.38 -0.04 0.00 0.21 0.00 0.00 66.02 64.69 1pn4 s SER 115 CO 0.02 -0.17 0.08 0.68 0.41 0.00 0.00 173.24 174.26 1pn4 s VAL 116 N 1.26 4.09 0.10 3.43 -7.23 -0.08 -1.17 120.40 120.79 1pn4 s VAL 116 Ca -0.05 -1.34 -0.31 0.00 -1.81 0.00 0.00 61.98 58.48 1pn4 s VAL 116 Cb -0.18 -3.10 -0.09 0.00 0.56 0.00 0.00 36.38 33.57 1pn4 s VAL 116 CO -0.07 -0.17 1.72 -0.62 -0.31 0.00 0.00 175.10 175.65 1pn4 s ASP 117 N -3.20 6.53 0.26 4.85 -1.08 0.94 -0.77 116.67 124.20 1pn4 s ASP 117 Ca 0.30 2.60 0.26 0.00 -0.52 0.00 0.00 52.55 55.19 1pn4 s ASP 117 Cb -0.09 -2.57 0.81 0.00 -1.46 0.00 0.00 42.92 39.61 1pn4 s ASP 117 CO 0.21 -0.93 1.75 -1.13 0.52 0.00 0.00 175.17 175.60 1pn4 h ASN 118 N 8.33 0.00 0.10 -0.34 -1.24 -1.18 0.41 115.58 121.65 1pn4 h ASN 118 Ca -0.44 0.00 -0.22 0.00 0.71 0.00 0.00 56.30 56.35 1pn4 h ASN 118 Cb 1.21 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.26 1pn4 h ASN 118 CO 0.94 0.00 -1.13 0.11 -1.29 0.00 0.00 177.43 176.06 1pn4 h LYS 119 N 0.00 0.21 0.00 6.67 1.79 -1.90 -3.44 116.57 119.90 1pn4 h LYS 119 Ca 0.00 -0.35 -0.09 0.00 -2.18 0.00 0.00 60.65 58.03 1pn4 h LYS 119 Cb 0.69 0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 31.46 1pn4 h LYS 119 CO 0.00 1.17 -1.51 -1.13 -1.08 0.00 0.00 179.45 176.90 1pn4 n SER 120 N -4.09 2.92 0.00 0.86 3.41 -1.17 -5.02 113.62 110.53 1pn4 n SER 120 Ca -0.22 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 1pn4 n SER 120 Cb 0.82 1.02 0.00 0.00 -0.26 0.00 0.00 64.21 65.79 1pn4 n SER 120 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pn4 n GLY 121 N 2.26 0.59 3.72 5.00 0.00 0.13 -5.02 105.19 111.87 1pn4 n GLY 121 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1pn4 n GLY 121 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pn4 s GLU 122 N -0.81 4.33 -0.05 1.61 2.12 -1.25 -4.60 118.70 120.04 1pn4 s GLU 122 Ca 0.00 2.08 -0.30 0.00 0.36 0.00 0.00 54.97 57.11 1pn4 s GLU 122 Cb 0.00 -3.24 -0.05 0.00 0.26 0.00 0.00 34.13 31.11 1pn4 s GLU 122 CO 0.00 -0.41 1.46 -1.17 -0.54 0.00 0.00 175.26 174.60 1pn4 s LEU 123 N 0.89 4.29 -0.08 2.70 2.96 -1.26 -0.04 118.68 128.14 1pn4 s LEU 123 Ca 0.63 2.07 -0.09 0.00 -0.22 0.00 0.00 54.13 56.52 1pn4 s LEU 123 Cb -0.37 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.73 1pn4 s LEU 123 CO 0.32 -0.80 -0.18 -0.38 -1.32 0.00 0.00 176.35 173.98 1pn4 n ILE 124 N 5.10 1.21 -4.37 6.68 2.08 -0.32 -4.08 119.36 125.67 1pn4 n ILE 124 Ca 0.15 0.13 -0.25 0.00 0.56 0.00 0.00 62.75 63.34 1pn4 n ILE 124 Cb 0.43 -1.90 -0.12 0.00 -0.75 0.00 0.00 39.64 37.30 1pn4 n ILE 124 CO 0.00 0.00 0.00 -0.31 0.56 0.00 0.00 176.55 176.80 1pn4 s TYR 125 N -2.41 2.05 -0.05 1.39 2.02 -1.02 -0.59 117.35 118.74 1pn4 s TYR 125 Ca -0.17 -0.41 0.03 0.00 -0.37 0.00 0.00 57.07 56.15 1pn4 s TYR 125 Cb 0.04 -1.04 0.01 0.00 -0.40 0.00 0.00 41.96 40.56 1pn4 s TYR 125 CO 0.23 0.38 -0.13 -1.12 -1.57 0.00 0.00 175.55 173.34 1pn4 s SER 126 N -2.49 1.78 0.08 2.29 0.01 -0.23 -0.80 113.70 114.34 1pn4 s SER 126 Ca 0.16 -0.29 0.08 0.00 1.31 0.00 0.00 55.95 57.20 1pn4 s SER 126 Cb -0.08 -0.70 -0.03 0.00 0.21 0.00 0.00 66.02 65.42 1pn4 s SER 126 CO 0.07 0.07 -0.20 0.20 0.41 0.00 0.00 173.24 173.79 1pn4 s ASN 127 N 0.45 2.42 -0.26 2.44 0.01 -0.95 -0.84 114.94 118.22 1pn4 s ASN 127 Ca -0.11 -0.64 -0.02 0.00 -0.71 0.00 0.00 52.86 51.38 1pn4 s ASN 127 Cb -0.14 -0.14 0.08 0.00 0.41 0.00 0.00 41.25 41.46 1pn4 s ASN 127 CO 0.03 0.07 0.08 -1.61 -1.51 0.00 0.00 177.10 174.16 1pn4 s GLU 128 N -1.70 0.53 -0.06 -0.60 2.02 0.20 -0.84 118.70 118.24 1pn4 s GLU 128 Ca 0.06 -0.67 -0.18 0.00 0.02 0.00 0.00 54.97 54.20 1pn4 s GLU 128 Cb -0.10 -1.82 -0.05 0.00 0.10 0.00 0.00 34.13 32.27 1pn4 s GLU 128 CO 0.03 -0.86 0.50 0.00 0.02 0.00 0.00 175.26 174.96 1pn4 s ALA 129 N 1.84 3.51 -0.24 5.21 0.00 -0.47 -1.29 121.76 130.32 1pn4 s ALA 129 Ca 0.05 -0.13 -0.05 0.00 0.00 0.00 0.00 51.96 51.84 1pn4 s ALA 129 Cb -0.17 -2.63 -0.01 0.00 0.00 0.00 0.00 23.12 20.31 1pn4 s ALA 129 CO -0.21 0.13 0.00 0.99 0.00 0.00 0.00 175.76 176.67 1pn4 s THR 130 N 0.10 3.63 -0.11 0.00 2.01 -0.48 0.13 115.64 120.93 1pn4 s THR 130 Ca 0.27 -0.51 -0.06 0.00 0.31 0.00 0.00 61.69 61.71 1pn4 s THR 130 Cb -0.16 -2.72 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 1pn4 s THR 130 CO 0.13 0.32 0.10 -0.31 -0.69 0.00 0.00 174.62 174.17 1pn4 s TYR 131 N 1.50 3.47 -0.26 4.92 2.02 0.64 -0.17 117.35 129.46 1pn4 s TYR 131 Ca 0.05 0.43 -0.05 0.00 -0.37 0.00 0.00 57.07 57.12 1pn4 s TYR 131 Cb -0.15 -1.90 0.00 0.00 -0.40 0.00 0.00 41.96 39.51 1pn4 s TYR 131 CO -0.01 0.66 0.02 0.12 -1.57 0.00 0.00 175.55 174.77 1pn4 s PHE 132 N -0.97 3.07 -0.11 2.71 2.19 0.44 -1.77 117.98 123.54 1pn4 s PHE 132 Ca 0.14 -0.95 0.03 0.00 0.33 0.00 0.00 56.93 56.48 1pn4 s PHE 132 Cb -0.12 -2.18 0.01 0.00 -1.31 0.00 0.00 43.02 39.41 1pn4 s PHE 132 CO 0.03 -0.55 -0.21 0.42 1.83 0.00 0.00 175.22 176.74 1pn4 s ILE 133 N 1.49 1.90 0.26 3.12 1.01 0.04 -0.09 121.20 128.92 1pn4 s ILE 133 Ca 0.04 -0.91 -0.17 0.00 0.00 0.00 0.00 60.65 59.61 1pn4 s ILE 133 Cb -0.16 -1.67 -0.08 0.00 0.01 0.00 0.00 42.46 40.56 1pn4 s ILE 133 CO 0.00 0.52 0.71 -0.13 0.00 0.00 0.00 174.94 176.04 1pn4 s ARG 134 N 0.58 4.10 -1.30 2.79 3.00 -0.44 -1.57 118.95 126.11 1pn4 s ARG 134 Ca -0.14 0.73 -0.03 0.00 0.00 0.00 0.00 55.73 56.29 1pn4 s ARG 134 Cb -0.17 -2.69 0.01 0.00 0.00 0.00 0.00 34.95 32.10 1pn4 s ARG 134 CO 0.04 0.30 0.90 0.09 0.00 0.00 0.00 175.30 176.63 1pn4 n ASN 135 N 0.24 -2.50 -4.15 0.23 3.02 -0.83 -4.81 115.26 106.47 1pn4 n ASN 135 Ca -0.00 -0.71 -0.12 0.00 -0.03 0.00 0.00 54.58 53.72 1pn4 n ASN 135 Cb 0.52 -4.56 -0.11 0.00 -0.61 0.00 0.00 39.78 35.02 1pn4 n ASN 135 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pn4 s GLN 137 N -2.97 1.12 0.16 0.00 1.11 -0.48 -4.10 119.66 114.50 1pn4 s GLN 137 Ca 0.05 -1.30 -0.24 0.00 0.01 0.00 0.00 55.36 53.88 1pn4 s GLN 137 Cb -0.01 -1.09 0.06 0.00 -1.01 0.00 0.00 33.01 30.96 1pn4 s GLN 137 CO -0.02 0.22 0.72 0.00 0.01 0.00 0.00 175.29 176.21 1pn4 s ALA 138 N -2.06 -1.55 0.41 6.09 0.00 -1.26 -0.67 121.76 122.72 1pn4 s ALA 138 Ca 0.11 0.34 -0.25 0.00 0.00 0.00 0.00 51.96 52.16 1pn4 s ALA 138 Cb -0.05 0.77 -0.08 0.00 0.00 0.00 0.00 23.12 23.76 1pn4 s ALA 138 CO 0.04 -0.85 1.23 -0.51 0.00 0.00 0.00 175.76 175.67 1pn4 s ASP 139 N -2.77 6.37 -0.69 0.00 1.01 -1.26 -4.53 116.67 114.80 1pn4 s ASP 139 Ca 0.05 2.48 -0.27 0.00 0.71 0.00 0.00 52.55 55.52 1pn4 s ASP 139 Cb -0.02 -2.62 0.01 0.00 1.01 0.00 0.00 42.92 41.30 1pn4 s ASP 139 CO -0.06 -0.79 1.49 0.21 0.21 0.00 0.00 175.17 176.23 1pn4 s ASN 140 N -0.99 5.84 0.00 0.27 3.04 -1.26 -4.31 114.94 117.54 1pn4 s ASN 140 Ca 0.58 -0.17 -0.03 0.00 0.04 0.00 0.00 52.86 53.28 1pn4 s ASN 140 Cb -0.34 -2.55 -0.01 0.00 -1.54 0.00 0.00 41.25 36.82 1pn4 s ASN 140 CO 0.43 -2.04 0.06 -0.54 -3.04 0.00 0.00 177.10 171.97 1pn4 s LYS 141 N 6.21 0.31 -0.13 0.43 1.02 -0.51 -5.03 119.74 122.04 1pn4 s LYS 141 Ca 0.47 -0.34 0.02 0.00 0.02 0.00 0.00 55.97 56.13 1pn4 s LYS 141 Cb -0.10 0.12 -0.00 0.00 -0.52 0.00 0.00 37.83 37.33 1pn4 s LYS 141 CO 0.17 -0.06 -0.18 0.08 -0.92 0.00 0.00 175.35 174.44 1pn4 s VAL 142 N -1.03 2.55 -0.16 3.17 1.01 -1.26 -1.36 120.40 123.31 1pn4 s VAL 142 Ca -0.11 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.07 1pn4 s VAL 142 Cb -0.07 -2.04 -0.12 0.00 0.00 0.00 0.00 36.38 34.15 1pn4 s VAL 142 CO 0.00 0.54 -0.12 -1.22 0.00 0.00 0.00 175.10 174.30 1pn4 n TYR 143 N 3.71 0.00 -4.15 5.22 4.01 -0.08 -4.99 117.16 120.87 1pn4 n TYR 143 Ca -0.19 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.45 1pn4 n TYR 143 Cb 0.52 -0.66 -0.10 0.00 -0.31 0.00 0.00 39.34 38.79 1pn4 n TYR 143 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1pn4 s ALA 144 N -2.34 0.89 0.54 -0.72 0.00 -1.04 -4.99 121.76 114.11 1pn4 s ALA 144 Ca -0.20 -1.48 -0.04 0.00 0.00 0.00 0.00 51.96 50.23 1pn4 s ALA 144 Cb 0.06 0.88 -0.00 0.00 0.00 0.00 0.00 23.12 24.05 1pn4 s ALA 144 CO 0.42 -0.49 0.83 -0.51 0.00 0.00 0.00 175.76 176.02 1pn4 s ASP 145 N -3.06 5.75 0.05 0.00 1.01 -1.26 -4.85 116.67 114.31 1pn4 s ASP 145 Ca 0.25 0.65 0.03 0.00 0.71 0.00 0.00 52.55 54.19 1pn4 s ASP 145 Cb 0.07 -1.75 -0.02 0.00 1.01 0.00 0.00 42.92 42.23 1pn4 s ASP 145 CO 0.02 -0.91 -0.10 -0.13 0.21 0.00 0.00 175.17 174.26 1pn4 s ARG 146 N -4.86 0.64 0.62 8.23 0.52 -1.26 -5.08 118.95 117.77 1pn4 s ARG 146 Ca 0.52 -0.80 -0.17 0.00 -0.52 0.00 0.00 55.73 54.76 1pn4 s ARG 146 Cb -0.10 -0.51 -0.02 0.00 0.52 0.00 0.00 34.95 34.84 1pn4 s ARG 146 CO 0.44 0.11 1.16 -1.25 0.02 0.00 0.00 175.30 175.77 1pn4 s PRO 147 N -1.55 2.87 0.35 3.54 0.04 -1.26 -4.92 135.00 134.07 1pn4 s PRO 147 Ca -0.06 1.63 0.03 0.00 0.04 0.00 0.00 61.00 62.64 1pn4 s PRO 147 Cb -0.10 -1.94 0.66 0.00 0.04 0.00 0.00 34.50 33.17 1pn4 s PRO 147 CO 0.01 -1.24 1.99 0.00 0.04 0.00 0.00 177.00 177.80 1pn4 h ALA 148 N 0.49 1.60 -0.62 8.56 0.00 -2.01 -1.98 119.26 125.31 1pn4 h ALA 148 Ca -0.49 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.44 1pn4 h ALA 148 Cb 1.27 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1pn4 h ALA 148 CO 0.54 0.33 0.41 0.35 0.00 0.00 0.00 179.25 180.88 1pn4 h PHE 149 N 0.84 0.63 0.00 0.00 3.04 -1.96 -0.87 116.94 118.63 1pn4 h PHE 149 Ca 0.27 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 62.18 1pn4 h PHE 149 Cb 0.04 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.34 1pn4 h PHE 149 CO -0.00 0.35 -0.28 0.00 -2.02 0.00 0.00 178.31 176.36 1pn4 h ALA 150 N 1.66 0.92 -0.08 2.41 0.00 -1.72 -3.03 119.26 119.42 1pn4 h ALA 150 Ca 0.26 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1pn4 h ALA 150 Cb 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1pn4 h ALA 150 CO -0.08 0.35 0.00 0.25 0.00 0.00 0.00 179.25 179.77 1pn4 n THR 151 N -3.32 0.18 -2.02 0.00 -2.24 -0.84 -4.96 114.28 101.08 1pn4 n THR 151 Ca 0.01 -0.59 -0.42 0.00 -2.27 0.00 0.00 64.05 60.79 1pn4 n THR 151 Cb 0.52 1.11 -0.03 0.00 -2.10 0.00 0.00 70.33 69.84 1pn4 n THR 151 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1pn4 s ASN 152 N -0.98 6.67 0.00 3.42 3.84 -0.39 -4.91 114.94 122.59 1pn4 s ASN 152 Ca 0.15 2.61 0.27 0.00 0.21 0.00 0.00 52.86 56.10 1pn4 s ASN 152 Cb 0.10 -2.61 0.83 0.00 -0.55 0.00 0.00 41.25 39.02 1pn4 s ASN 152 CO 0.15 -0.72 1.64 0.00 -2.79 0.00 0.00 177.10 175.38 1pn4 n GLN 153 N 2.88 0.10 -4.03 0.43 1.13 -1.26 -4.88 117.38 111.76 1pn4 n GLN 153 Ca 0.09 -0.04 -0.37 0.00 -1.94 0.00 0.00 57.00 54.74 1pn4 n GLN 153 Cb 0.40 -1.50 -0.00 0.00 0.11 0.00 0.00 30.24 29.25 1pn4 n GLN 153 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1pn4 n PHE 154 N -1.41 -1.10 -2.00 1.08 3.72 -1.26 -4.21 117.46 112.27 1pn4 n PHE 154 Ca 0.07 0.11 -0.42 0.00 -0.05 0.00 0.00 57.45 57.16 1pn4 n PHE 154 Cb 0.33 -2.26 -0.03 0.00 -0.94 0.00 0.00 39.48 36.58 1pn4 n PHE 154 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1pn4 s LEU 155 N -6.99 4.36 0.30 4.37 1.43 -1.26 -3.98 118.68 116.91 1pn4 s LEU 155 Ca 0.34 2.46 -0.30 0.00 -1.03 0.00 0.00 54.13 55.61 1pn4 s LEU 155 Cb -0.19 -3.58 -0.11 0.00 0.03 0.00 0.00 46.19 42.34 1pn4 s LEU 155 CO 0.81 -0.81 1.54 0.00 0.23 0.00 0.00 176.35 178.11 1pn4 s ALA 156 N 1.91 3.69 0.90 4.21 0.00 -1.26 -4.99 121.76 126.22 1pn4 s ALA 156 Ca 0.70 1.52 -0.11 0.00 0.00 0.00 0.00 51.96 54.07 1pn4 s ALA 156 Cb -0.40 -3.62 0.13 0.00 0.00 0.00 0.00 23.12 19.23 1pn4 s ALA 156 CO 0.31 -0.95 1.09 -1.25 0.00 0.00 0.00 175.76 174.96 1pn4 s PRO 157 N -0.81 1.19 -1.18 0.00 0.04 -1.26 -4.90 135.00 128.07 1pn4 s PRO 157 Ca 0.60 0.95 -0.08 0.00 0.04 0.00 0.00 61.00 62.52 1pn4 s PRO 157 Cb -0.46 -1.79 0.23 0.00 0.04 0.00 0.00 34.50 32.51 1pn4 s PRO 157 CO 0.50 -2.32 1.61 1.63 0.04 0.00 0.00 177.00 178.45 1pn4 n LYS 158 N -3.96 3.89 -3.56 4.56 4.76 -1.26 -4.83 118.16 117.76 1pn4 n LYS 158 Ca 0.07 -4.03 -0.09 0.00 -2.87 0.00 0.00 58.31 51.40 1pn4 n LYS 158 Cb 0.54 -2.75 -0.02 0.00 -1.84 0.00 0.00 35.03 30.96 1pn4 n LYS 158 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1pn4 s ARG 159 N -0.77 1.15 0.57 1.97 1.70 -1.26 -5.15 118.95 117.16 1pn4 s ARG 159 Ca 0.36 -0.50 -0.20 0.00 -0.47 0.00 0.00 55.73 54.92 1pn4 s ARG 159 Cb 0.04 0.48 -0.04 0.00 -0.57 0.00 0.00 34.95 34.86 1pn4 s ARG 159 CO 0.03 -0.51 1.28 0.00 -1.08 0.00 0.00 175.30 175.02 1pn4 s ALA 160 N -3.45 2.65 0.60 7.88 0.00 -1.26 -4.95 121.76 123.23 1pn4 s ALA 160 Ca 0.06 1.17 -0.20 0.00 0.00 0.00 0.00 51.96 52.99 1pn4 s ALA 160 Cb -0.02 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 1pn4 s ALA 160 CO -0.07 -1.29 1.31 -1.25 0.00 0.00 0.00 175.76 174.46 1pn4 s PRO 161 N -3.11 2.84 0.39 0.00 0.04 -1.26 -4.91 135.00 128.98 1pn4 s PRO 161 Ca 0.75 2.10 0.21 0.00 0.04 0.00 0.00 61.00 64.10 1pn4 s PRO 161 Cb -0.36 -2.02 0.56 0.00 0.04 0.00 0.00 34.50 32.73 1pn4 s PRO 161 CO 0.40 -1.38 1.67 -0.44 0.04 0.00 0.00 177.00 177.29 1pn4 h ASP 162 N 0.95 0.00 -4.16 6.66 3.32 -1.24 -3.46 116.42 118.50 1pn4 h ASP 162 Ca -0.51 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.43 1pn4 h ASP 162 Cb 1.32 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.64 1pn4 h ASP 162 CO 0.55 0.28 -0.20 -0.47 -1.72 0.00 0.00 179.24 177.68 1pn4 s TYR 163 N -3.35 -0.43 -0.03 4.55 5.04 -0.76 -5.03 117.35 117.34 1pn4 s TYR 163 Ca 0.03 0.99 -0.08 0.00 -2.44 0.00 0.00 57.07 55.56 1pn4 s TYR 163 Cb 0.08 0.16 0.01 0.00 0.35 0.00 0.00 41.96 42.57 1pn4 s TYR 163 CO 0.67 -0.28 0.19 -1.14 -1.34 0.00 0.00 175.55 173.65 1pn4 s GLN 164 N -0.14 0.40 -0.23 4.97 0.74 -1.26 0.29 119.66 124.43 1pn4 s GLN 164 Ca -0.03 -0.07 -0.26 0.00 0.05 0.00 0.00 55.36 55.04 1pn4 s GLN 164 Cb -0.03 0.18 0.09 0.00 1.10 0.00 0.00 33.01 34.34 1pn4 s GLN 164 CO 0.02 -0.09 0.82 0.54 -0.55 0.00 0.00 175.29 176.04 1pn4 s VAL 165 N -0.72 0.00 -0.07 1.34 0.11 -0.76 -5.01 120.40 115.29 1pn4 s VAL 165 Ca -0.08 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 58.86 1pn4 s VAL 165 Cb -0.05 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.76 1pn4 s VAL 165 CO 0.01 0.00 0.26 -1.81 -3.33 0.00 0.00 175.10 170.23 1pn4 s ASP 166 N -0.05 6.57 -0.21 3.54 1.11 -1.26 -1.26 116.67 125.10 1pn4 s ASP 166 Ca -0.01 0.68 -0.01 0.00 0.18 0.00 0.00 52.55 53.38 1pn4 s ASP 166 Cb -0.04 -2.15 0.06 0.00 1.07 0.00 0.00 42.92 41.86 1pn4 s ASP 166 CO 0.01 0.36 -0.00 -0.69 1.18 0.00 0.00 175.17 176.02 1pn4 s VAL 167 N -0.98 0.98 0.24 -1.27 1.01 -0.30 -4.99 120.40 115.10 1pn4 s VAL 167 Ca 0.19 -0.87 -0.30 0.00 0.00 0.00 0.00 61.98 61.00 1pn4 s VAL 167 Cb -0.14 -1.39 -0.09 0.00 0.00 0.00 0.00 36.38 34.76 1pn4 s VAL 167 CO 0.08 -0.17 1.19 -2.16 0.00 0.00 0.00 175.10 174.04 1pn4 s PRO 168 N 1.65 4.51 -0.23 2.72 0.04 -1.26 -0.96 135.00 141.47 1pn4 s PRO 168 Ca -0.03 1.93 -0.05 0.00 0.04 0.00 0.00 61.00 62.89 1pn4 s PRO 168 Cb -0.18 -3.19 -0.02 0.00 0.04 0.00 0.00 34.50 31.16 1pn4 s PRO 168 CO -0.07 -0.02 -0.01 0.08 0.04 0.00 0.00 177.00 177.02 1pn4 s VAL 169 N -0.61 3.68 0.47 -0.36 1.01 -0.36 -4.92 120.40 119.32 1pn4 s VAL 169 Ca 0.50 -0.39 -0.24 0.00 0.00 0.00 0.00 61.98 61.85 1pn4 s VAL 169 Cb -0.34 -2.69 -0.07 0.00 0.00 0.00 0.00 36.38 33.28 1pn4 s VAL 169 CO 0.41 0.40 1.32 -0.55 0.00 0.00 0.00 175.10 176.67 1pn4 s SER 170 N 1.51 5.85 0.61 3.32 0.15 -1.26 -1.37 113.70 122.50 1pn4 s SER 170 Ca 0.06 2.67 0.32 0.00 0.70 0.00 0.00 55.95 59.70 1pn4 s SER 170 Cb -0.14 -2.63 1.86 0.00 -1.71 0.00 0.00 66.02 63.39 1pn4 s SER 170 CO -0.01 -1.17 2.20 -0.08 1.20 0.00 0.00 173.24 175.38 1pn4 h GLU 171 N 2.07 0.00 -0.55 5.44 4.81 -1.87 -2.53 114.58 121.94 1pn4 h GLU 171 Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1pn4 h GLU 171 Cb 1.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1pn4 h GLU 171 CO 0.60 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 178.63 1pn4 n ASP 172 N -3.65 3.48 0.00 1.04 8.00 -1.26 -4.64 116.55 119.52 1pn4 n ASP 172 Ca -0.01 -2.00 -0.10 0.00 0.71 0.00 0.00 54.79 53.39 1pn4 n ASP 172 Cb 0.18 -0.37 0.05 0.00 -0.02 0.00 0.00 41.12 40.96 1pn4 n ASP 172 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1pn4 h LEU 173 N 3.26 0.63 -1.20 0.64 5.85 -1.86 -2.99 115.31 119.64 1pn4 h LEU 173 Ca 0.00 -0.34 0.03 0.00 0.84 0.00 0.00 57.88 58.41 1pn4 h LEU 173 Cb 0.87 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.67 1pn4 h LEU 173 CO 0.00 1.06 0.55 0.00 -0.34 0.00 0.00 178.44 179.71 1pn4 h ALA 174 N 0.95 1.47 -0.33 1.25 0.00 -1.82 0.26 119.26 121.04 1pn4 h ALA 174 Ca 0.01 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1pn4 h ALA 174 Cb 1.11 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1pn4 h ALA 174 CO 0.11 0.46 -0.10 0.00 0.00 0.00 0.00 179.25 179.72 1pn4 h ALA 175 N 1.51 1.23 0.10 0.00 0.00 -1.82 -1.64 119.26 118.64 1pn4 h ALA 175 Ca 0.33 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1pn4 h ALA 175 Cb -0.01 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 17.65 1pn4 h ALA 175 CO -0.09 0.50 -0.58 1.25 0.00 0.00 0.00 179.25 180.33 1pn4 h LEU 176 N 0.51 0.34 -0.51 0.00 5.85 -1.21 -3.38 115.31 116.91 1pn4 h LEU 176 Ca 0.10 -0.95 -0.03 0.00 0.84 0.00 0.00 57.88 57.84 1pn4 h LEU 176 Cb 0.47 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1pn4 h LEU 176 CO 0.03 1.27 0.22 0.22 -0.34 0.00 0.00 178.44 179.84 1pn4 h TYR 177 N -0.53 0.76 0.00 1.25 3.20 -0.51 -2.70 116.97 118.45 1pn4 h TYR 177 Ca -0.10 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.72 1pn4 h TYR 177 Cb 1.45 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.48 1pn4 h TYR 177 CO 0.22 0.62 0.07 0.07 -1.64 0.00 0.00 178.16 177.49 1pn4 h ARG 178 N 0.68 0.00 0.00 1.82 0.11 -1.47 -0.95 114.38 114.57 1pn4 h ARG 178 Ca 0.17 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.25 1pn4 h ARG 178 Cb 0.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.25 1pn4 h ARG 178 CO -0.02 0.00 0.00 -0.07 0.10 0.00 0.00 179.97 179.98 1pn4 h LEU 179 N 0.00 0.00 -0.55 0.08 3.38 -1.65 -2.23 115.31 114.34 1pn4 h LEU 179 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pn4 h LEU 179 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1pn4 h LEU 179 CO 0.00 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.33 1pn4 n SER 180 N -2.90 0.56 0.00 -0.43 7.64 -0.36 -4.88 113.62 113.24 1pn4 n SER 180 Ca -0.00 0.63 0.00 0.00 1.01 0.00 0.00 58.87 60.51 1pn4 n SER 180 Cb 0.22 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 62.67 1pn4 n SER 180 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pn4 n GLY 181 N 0.07 2.19 3.53 0.23 0.00 -0.84 -4.95 105.19 105.41 1pn4 n GLY 181 Ca 0.03 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 1pn4 n GLY 181 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pn4 s ASP 182 N 0.00 6.37 0.00 1.61 -1.08 -1.20 -4.82 116.67 117.55 1pn4 s ASP 182 Ca 0.00 -1.15 0.13 0.00 -0.52 0.00 0.00 52.55 51.01 1pn4 s ASP 182 Cb 0.00 -2.53 0.52 0.00 -1.46 0.00 0.00 42.92 39.45 1pn4 s ASP 182 CO 0.00 -1.55 1.37 0.54 0.52 0.00 0.00 175.17 176.05 1pn4 n ARG 183 N 8.63 1.47 -1.59 4.34 5.12 -1.26 -4.58 116.66 128.79 1pn4 n ARG 183 Ca 0.18 -0.72 -0.62 0.00 -1.93 0.00 0.00 57.85 54.76 1pn4 n ARG 183 Cb 0.49 -1.25 -0.09 0.00 -1.16 0.00 0.00 32.46 30.45 1pn4 n ARG 183 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1pn4 n ASN 184 N 0.01 0.66 0.30 0.55 2.85 -1.26 -4.78 115.26 113.59 1pn4 n ASN 184 Ca 0.11 1.14 0.20 0.00 -0.11 0.00 0.00 54.58 55.92 1pn4 n ASN 184 Cb 0.20 -0.87 1.03 0.00 1.24 0.00 0.00 39.78 41.39 1pn4 n ASN 184 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1pn4 h PRO 185 N 4.01 0.00 -0.98 1.20 0.11 -1.97 -3.23 132.00 131.14 1pn4 h PRO 185 Ca -0.46 0.00 0.16 0.00 0.11 0.00 0.00 66.00 65.81 1pn4 h PRO 185 Cb 1.35 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.37 1pn4 h PRO 185 CO 0.81 0.00 0.61 1.25 -0.21 0.00 0.00 178.00 180.47 1pn4 h LEU 186 N 0.00 0.79 -1.35 2.35 5.85 -1.86 -1.08 115.31 120.01 1pn4 h LEU 186 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1pn4 h LEU 186 Cb 0.07 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1pn4 h LEU 186 CO 0.00 0.36 0.00 0.00 -0.34 0.00 0.00 178.44 178.46 1pn4 n GLN 187 N -4.66 1.89 0.00 1.25 3.00 -1.22 -3.38 117.38 114.26 1pn4 n GLN 187 Ca 0.20 -1.33 0.00 0.00 -0.01 0.00 0.00 57.00 55.86 1pn4 n GLN 187 Cb 0.49 -1.42 0.00 0.00 0.00 0.00 0.00 30.24 29.30 1pn4 n GLN 187 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.06 178.57 1pn4 n ILE 188 N 0.56 0.00 -3.78 5.09 0.13 -0.74 -4.56 119.36 116.05 1pn4 n ILE 188 Ca 0.17 0.00 -0.37 0.00 -1.10 0.00 0.00 62.75 61.45 1pn4 n ILE 188 Cb 0.39 -0.15 -0.13 0.00 -0.84 0.00 0.00 39.64 38.91 1pn4 n ILE 188 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1pn4 s ASP 189 N -1.24 5.22 0.39 9.51 -1.08 -0.49 -4.95 116.67 124.03 1pn4 s ASP 189 Ca 0.00 -1.15 0.07 0.00 -0.52 0.00 0.00 52.55 50.95 1pn4 s ASP 189 Cb 0.00 -1.84 0.82 0.00 -1.46 0.00 0.00 42.92 40.44 1pn4 s ASP 189 CO 0.00 -0.31 2.00 -0.65 0.52 0.00 0.00 175.17 176.73 1pn4 h PRO 190 N 8.18 0.62 0.00 4.34 0.11 -1.91 -1.72 132.00 141.61 1pn4 h PRO 190 Ca -0.23 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.76 1pn4 h PRO 190 Cb 1.08 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 1pn4 h PRO 190 CO 0.59 0.41 -0.36 -0.91 -0.21 0.00 0.00 178.00 177.52 1pn4 h ASN 191 N 0.64 0.00 0.08 -2.05 2.35 -1.95 0.26 115.58 114.92 1pn4 h ASN 191 Ca 0.24 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.85 1pn4 h ASN 191 Cb 0.16 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.55 1pn4 h ASN 191 CO -0.07 0.36 -0.62 0.15 -1.65 0.00 0.00 177.43 175.60 1pn4 h PHE 192 N 0.00 0.48 -0.27 1.19 3.04 -1.65 -2.79 116.94 116.94 1pn4 h PHE 192 Ca -0.00 -0.32 -0.03 0.00 3.98 0.00 0.00 57.97 61.60 1pn4 h PHE 192 Cb 0.78 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.24 1pn4 h PHE 192 CO 0.00 1.20 0.05 0.00 -2.02 0.00 0.00 178.31 177.54 1pn4 h ALA 193 N 0.15 1.59 -0.47 2.41 0.00 -1.33 -1.63 119.26 119.98 1pn4 h ALA 193 Ca -0.10 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 1pn4 h ALA 193 Cb 1.43 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1pn4 h ALA 193 CO 0.12 0.31 -0.14 0.87 0.00 0.00 0.00 179.25 180.41 1pn4 h LYS 194 N 0.38 0.89 0.00 0.00 1.57 -0.95 -1.94 116.57 116.52 1pn4 h LYS 194 Ca 0.09 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 1pn4 h LYS 194 Cb 0.18 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 1pn4 h LYS 194 CO -0.00 0.97 -0.04 0.78 -0.57 0.00 0.00 179.45 180.59 1pn4 h GLY 195 N 0.96 0.00 -1.81 3.86 0.00 -1.02 -2.39 103.07 102.66 1pn4 h GLY 195 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1pn4 h GLY 195 CO 0.05 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.59 1pn4 n ALA 196 N -2.15 2.45 -1.55 3.60 0.00 -0.93 -4.95 120.51 116.97 1pn4 n ALA 196 Ca -0.01 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.58 1pn4 n ALA 196 Cb 0.21 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1pn4 n ALA 196 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1pn4 n LYS 197 N 1.06 0.00 -4.39 0.00 4.76 -0.90 -5.00 118.16 113.69 1pn4 n LYS 197 Ca 0.18 0.05 -0.30 0.00 -2.87 0.00 0.00 58.31 55.37 1pn4 n LYS 197 Cb 0.49 -2.92 -0.11 0.00 -1.84 0.00 0.00 35.03 30.65 1pn4 n LYS 197 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1pn4 s PHE 198 N -2.00 2.63 -0.93 2.13 0.08 -0.76 -5.03 117.98 114.09 1pn4 s PHE 198 Ca 0.00 -0.21 0.28 0.00 0.12 0.00 0.00 56.93 57.12 1pn4 s PHE 198 Cb 0.00 -1.42 1.02 0.00 -0.57 0.00 0.00 43.02 42.05 1pn4 s PHE 198 CO 0.00 0.36 1.80 -0.35 -0.10 0.00 0.00 175.22 176.94 1pn4 n PRO 199 N 1.03 0.06 -3.80 0.24 -0.04 -1.26 -3.38 135.00 127.85 1pn4 n PRO 199 Ca -0.15 0.04 -0.05 0.00 -0.04 0.00 0.00 63.50 63.30 1pn4 n PRO 199 Cb 0.52 -1.56 -0.02 0.00 -0.04 0.00 0.00 33.50 32.40 1pn4 n PRO 199 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1pn4 s LYS 200 N -3.03 1.45 0.41 0.54 -2.85 -1.26 -4.93 119.74 110.06 1pn4 s LYS 200 Ca 0.13 -0.80 -0.27 0.00 -1.00 0.00 0.00 55.97 54.03 1pn4 s LYS 200 Cb 0.17 0.50 -0.10 0.00 -2.06 0.00 0.00 37.83 36.34 1pn4 s LYS 200 CO 0.57 -0.66 1.44 -2.30 0.10 0.00 0.00 175.35 174.50 1pn4 n PRO 201 N -0.47 2.43 -3.05 1.78 -0.02 -1.26 -4.84 135.00 129.58 1pn4 n PRO 201 Ca -0.05 0.86 -0.19 0.00 -2.02 0.00 0.00 63.50 62.10 1pn4 n PRO 201 Cb 0.60 -2.62 0.04 0.00 -0.02 0.00 0.00 33.50 31.50 1pn4 n PRO 201 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1pn4 s ILE 202 N -1.15 2.49 -0.08 4.25 -4.36 -1.22 -4.53 121.20 116.61 1pn4 s ILE 202 Ca 0.57 -1.01 -0.14 0.00 -0.26 0.00 0.00 60.65 59.80 1pn4 s ILE 202 Cb -0.47 -2.51 -0.05 0.00 1.25 0.00 0.00 42.46 40.68 1pn4 s ILE 202 CO 0.61 0.00 0.35 -0.22 0.24 0.00 0.00 174.94 175.92 1pn4 s LEU 203 N -4.52 4.37 0.11 0.37 2.96 0.01 -4.18 118.68 117.80 1pn4 s LEU 203 Ca 0.58 0.75 -0.35 0.00 -0.22 0.00 0.00 54.13 54.90 1pn4 s LEU 203 Cb -0.07 -2.48 -0.14 0.00 0.50 0.00 0.00 46.19 43.99 1pn4 s LEU 203 CO 0.36 0.22 1.55 1.41 -1.32 0.00 0.00 176.35 178.58 1pn4 n HIS 204 N 2.61 2.11 -0.26 5.38 8.25 -1.26 -4.69 115.22 127.36 1pn4 n HIS 204 Ca -0.13 0.33 0.06 0.00 -0.26 0.00 0.00 57.72 57.73 1pn4 n HIS 204 Cb 0.52 -2.51 0.19 0.00 1.12 0.00 0.00 29.99 29.32 1pn4 n HIS 204 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1pn4 h GLY 205 N 5.93 1.07 2.00 -1.41 0.00 -1.96 -1.06 103.07 107.64 1pn4 h GLY 205 Ca -0.46 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 1pn4 h GLY 205 CO 0.87 -0.21 -0.07 -0.33 0.00 0.00 0.00 176.54 176.79 1pn4 h MET 206 N 0.28 0.00 0.03 4.80 2.86 -1.97 -2.15 114.93 118.77 1pn4 h MET 206 Ca 0.43 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 58.07 1pn4 h MET 206 Cb 0.75 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.41 1pn4 h MET 206 CO -0.52 0.07 -0.01 0.00 1.06 0.00 0.00 176.91 177.51 1pn4 h THR 208 N -0.27 0.87 -0.29 0.00 2.02 -1.23 0.27 112.91 114.28 1pn4 h THR 208 Ca -0.00 -0.17 0.04 0.00 0.77 0.00 0.00 66.41 67.05 1pn4 h THR 208 Cb 0.26 0.34 -0.04 0.00 -1.74 0.00 0.00 68.15 66.98 1pn4 h THR 208 CO 0.01 0.09 0.07 0.22 0.37 0.00 0.00 175.52 176.28 1pn4 h TYR 209 N 0.49 0.12 -0.45 3.16 5.03 -1.40 0.05 116.97 123.97 1pn4 h TYR 209 Ca 0.27 0.02 -0.14 0.00 2.58 0.00 0.00 58.73 61.46 1pn4 h TYR 209 Cb 0.25 -0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.51 1pn4 h TYR 209 CO -0.13 0.04 -0.26 0.78 -1.32 0.00 0.00 178.16 177.27 1pn4 h GLY 210 N 0.18 1.05 1.01 1.82 0.00 -0.76 -0.07 103.07 106.31 1pn4 h GLY 210 Ca 0.13 -0.97 0.00 0.00 0.00 0.00 0.00 47.33 46.50 1pn4 h GLY 210 CO -0.16 0.88 0.44 1.41 0.00 0.00 0.00 176.54 179.11 1pn4 h LEU 211 N 0.82 0.80 -0.49 3.11 3.38 -0.72 0.28 115.31 122.49 1pn4 h LEU 211 Ca 0.10 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1pn4 h LEU 211 Cb 0.84 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1pn4 h LEU 211 CO 0.07 0.59 0.14 0.28 0.09 0.00 0.00 178.44 179.62 1pn4 h SER 212 N 0.93 0.72 -0.48 -0.43 0.02 -0.91 -2.16 113.55 111.25 1pn4 h SER 212 Ca 0.25 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1pn4 h SER 212 Cb -0.09 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.24 1pn4 h SER 212 CO -0.05 0.75 0.30 0.00 -1.14 0.00 0.00 176.83 176.68 1pn4 h ALA 213 N 1.00 0.61 -0.28 3.77 0.00 -0.24 -1.11 119.26 123.02 1pn4 h ALA 213 Ca 0.16 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1pn4 h ALA 213 Cb 0.29 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1pn4 h ALA 213 CO -0.00 0.09 0.09 -0.22 0.00 0.00 0.00 179.25 179.22 1pn4 h LYS 214 N 0.65 0.43 -0.68 0.00 3.11 -0.38 -0.83 116.57 118.86 1pn4 h LYS 214 Ca 0.17 -0.09 0.04 0.00 -2.81 0.00 0.00 60.65 57.97 1pn4 h LYS 214 Cb -0.02 -0.06 -0.05 0.00 -1.00 0.00 0.00 32.23 31.09 1pn4 h LYS 214 CO -0.03 0.48 0.41 0.00 -2.81 0.00 0.00 179.45 177.49 1pn4 h ALA 215 N 0.93 0.91 -0.66 5.00 0.00 -1.11 -2.04 119.26 122.28 1pn4 h ALA 215 Ca 0.09 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1pn4 h ALA 215 Cb 0.22 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1pn4 h ALA 215 CO -0.00 0.13 0.14 -0.07 0.00 0.00 0.00 179.25 179.44 1pn4 h LEU 216 N 0.77 1.02 -0.75 0.00 3.38 -0.89 -3.05 115.31 115.79 1pn4 h LEU 216 Ca 0.29 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1pn4 h LEU 216 Cb 0.10 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1pn4 h LEU 216 CO -0.14 1.00 0.28 0.40 0.09 0.00 0.00 178.44 180.07 1pn4 h ILE 217 N 0.99 1.26 -0.96 1.22 2.04 -0.76 0.42 117.51 121.72 1pn4 h ILE 217 Ca 0.20 -0.83 0.08 0.00 1.00 0.00 0.00 64.86 65.31 1pn4 h ILE 217 Cb 0.40 0.39 -0.07 0.00 -0.74 0.00 0.00 36.82 36.80 1pn4 h ILE 217 CO 0.01 0.33 0.62 0.44 0.00 0.00 0.00 178.15 179.55 1pn4 h ASP 218 N 1.09 0.96 0.00 1.72 3.32 -1.29 0.11 116.42 122.33 1pn4 h ASP 218 Ca 0.25 0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.20 1pn4 h ASP 218 Cb 0.24 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1pn4 h ASP 218 CO -0.02 0.59 -0.64 0.50 -1.72 0.00 0.00 179.24 177.95 1pn4 h LYS 219 N 1.07 0.00 -0.00 3.56 1.63 -1.37 -3.42 116.57 118.04 1pn4 h LYS 219 Ca 0.43 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.23 1pn4 h LYS 219 Cb 0.26 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.89 1pn4 h LYS 219 CO -0.18 0.86 -0.61 1.19 -3.45 0.00 0.00 179.45 177.26 1pn4 n PHE 220 N -4.54 0.00 -1.39 1.91 3.72 0.14 -5.10 117.46 112.21 1pn4 n PHE 220 Ca -0.20 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.20 1pn4 n PHE 220 Cb 0.53 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 1pn4 n PHE 220 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pn4 n GLY 221 N 1.30 -2.40 3.76 1.37 0.00 0.39 -4.98 105.19 104.62 1pn4 n GLY 221 Ca 0.04 -1.75 -0.37 0.00 0.00 0.00 0.00 46.02 43.94 1pn4 n GLY 221 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pn4 s MET 222 N -0.37 3.28 0.11 1.61 -1.94 -1.26 -4.21 119.30 116.52 1pn4 s MET 222 Ca 0.00 1.88 0.07 0.00 -1.71 0.00 0.00 55.69 55.93 1pn4 s MET 222 Cb 0.00 -2.15 -0.03 0.00 2.01 0.00 0.00 34.83 34.65 1pn4 s MET 222 CO 0.00 -0.97 -0.17 -0.59 -0.01 0.00 0.00 175.02 173.28 1pn4 s PHE 223 N -1.53 1.53 -1.16 -0.03 -0.12 -1.26 -1.63 117.98 113.78 1pn4 s PHE 223 Ca 0.72 -0.48 0.11 0.00 -0.05 0.00 0.00 56.93 57.23 1pn4 s PHE 223 Cb -0.31 -0.82 0.22 0.00 -0.63 0.00 0.00 43.02 41.47 1pn4 s PHE 223 CO 0.36 0.16 1.09 0.27 -0.05 0.00 0.00 175.22 177.05 1pn4 n ASN 224 N 0.87 2.52 -3.69 1.98 0.23 -0.70 -4.79 115.26 111.67 1pn4 n ASN 224 Ca -0.18 -1.77 -0.12 0.00 -0.53 0.00 0.00 54.58 51.98 1pn4 n ASN 224 Cb 0.55 -0.13 -0.09 0.00 -2.08 0.00 0.00 39.78 38.02 1pn4 n ASN 224 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 1pn4 s GLU 225 N -0.98 0.54 -0.14 -3.83 2.12 -1.22 -0.60 118.70 114.58 1pn4 s GLU 225 Ca 0.19 0.79 -0.12 0.00 0.36 0.00 0.00 54.97 56.19 1pn4 s GLU 225 Cb 0.11 0.16 0.04 0.00 0.26 0.00 0.00 34.13 34.70 1pn4 s GLU 225 CO 0.15 -0.11 0.36 -1.50 -0.54 0.00 0.00 175.26 173.63 1pn4 s ILE 226 N 0.81 -0.00 -0.02 -3.70 2.07 -0.23 -1.06 121.20 119.07 1pn4 s ILE 226 Ca -0.04 0.01 -0.05 0.00 -1.41 0.00 0.00 60.65 59.16 1pn4 s ILE 226 Cb -0.05 -0.51 0.00 0.00 0.13 0.00 0.00 42.46 42.03 1pn4 s ILE 226 CO -0.06 0.01 0.11 -0.75 -1.91 0.00 0.00 174.94 172.33 1pn4 s LYS 227 N 0.33 0.28 -0.04 3.50 2.36 -0.99 -0.82 119.74 124.35 1pn4 s LYS 227 Ca -0.01 -0.13 -0.30 0.00 -2.55 0.00 0.00 55.97 52.98 1pn4 s LYS 227 Cb -0.03 0.12 0.09 0.00 -1.05 0.00 0.00 37.83 36.95 1pn4 s LYS 227 CO -0.01 -0.06 0.76 0.00 1.55 0.00 0.00 175.35 177.60 1pn4 s ALA 228 N -0.64 -1.79 -0.18 3.13 0.00 -0.33 -1.97 121.76 119.98 1pn4 s ALA 228 Ca -0.07 1.25 -0.07 0.00 0.00 0.00 0.00 51.96 53.06 1pn4 s ALA 228 Cb -0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 1pn4 s ALA 228 CO 0.01 -0.43 0.05 0.50 0.00 0.00 0.00 175.76 175.89 1pn4 s ARG 229 N -1.66 3.96 -0.67 0.00 3.52 -0.64 -1.13 118.95 122.33 1pn4 s ARG 229 Ca -0.06 -0.35 -0.25 0.00 -0.13 0.00 0.00 55.73 54.93 1pn4 s ARG 229 Cb -0.00 -3.19 0.05 0.00 -1.56 0.00 0.00 34.95 30.24 1pn4 s ARG 229 CO 0.03 0.28 1.11 -0.06 -0.81 0.00 0.00 175.30 175.85 1pn4 s PHE 230 N 0.36 2.53 -0.42 5.12 0.08 0.68 -1.37 117.98 124.94 1pn4 s PHE 230 Ca 0.03 -0.17 0.22 0.00 0.12 0.00 0.00 56.93 57.13 1pn4 s PHE 230 Cb -0.12 -4.42 -0.11 0.00 -0.57 0.00 0.00 43.02 37.80 1pn4 s PHE 230 CO 0.00 -1.77 0.85 0.25 -0.10 0.00 0.00 175.22 174.45 1pn4 n THR 231 N 6.23 0.17 -3.56 0.64 -2.24 -0.47 -4.79 114.28 110.25 1pn4 n THR 231 Ca 0.01 -0.34 -0.17 0.00 -2.27 0.00 0.00 64.05 61.29 1pn4 n THR 231 Cb 0.48 0.15 -0.06 0.00 -2.10 0.00 0.00 70.33 68.79 1pn4 n THR 231 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1pn4 s GLY 232 N -3.95 -0.49 0.48 3.38 0.00 -1.10 -4.92 107.32 100.72 1pn4 s GLY 232 Ca 0.00 1.05 -0.20 0.00 0.00 0.00 0.00 44.72 45.57 1pn4 s GLY 232 CO 0.84 0.72 1.00 -0.26 0.00 0.00 0.00 173.10 175.41 1pn4 s ILE 233 N -1.43 4.09 -0.03 0.90 -4.36 -1.26 -4.41 121.20 114.70 1pn4 s ILE 233 Ca -0.10 1.23 0.07 0.00 -0.26 0.00 0.00 60.65 61.59 1pn4 s ILE 233 Cb -0.01 -3.53 -0.02 0.00 1.25 0.00 0.00 42.46 40.15 1pn4 s ILE 233 CO 0.07 -0.35 -0.25 -0.69 0.24 0.00 0.00 174.94 173.96 1pn4 s VAL 234 N -2.18 1.97 -0.04 8.37 1.01 -1.26 -4.89 120.40 123.37 1pn4 s VAL 234 Ca 0.64 -1.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.54 1pn4 s VAL 234 Cb -0.13 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 1pn4 s VAL 234 CO 0.21 0.55 0.10 -0.36 0.00 0.00 0.00 175.10 175.60 1pn4 s PHE 235 N -0.47 3.38 0.31 5.22 0.08 -1.26 -0.81 117.98 124.43 1pn4 s PHE 235 Ca 0.06 0.30 -0.28 0.00 0.12 0.00 0.00 56.93 57.13 1pn4 s PHE 235 Cb -0.11 -1.80 -0.13 0.00 -0.57 0.00 0.00 43.02 40.41 1pn4 s PHE 235 CO 0.00 0.60 1.14 -2.30 -0.10 0.00 0.00 175.22 174.56 1pn4 n PRO 236 N 1.46 1.70 0.00 0.24 -0.02 -1.26 -2.39 135.00 134.74 1pn4 n PRO 236 Ca -0.15 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1pn4 n PRO 236 Cb 0.53 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 1pn4 n PRO 236 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pn4 n GLY 237 N 1.03 2.76 3.90 -1.23 0.00 -0.47 -4.64 105.19 106.54 1pn4 n GLY 237 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 1pn4 n GLY 237 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pn4 s GLU 238 N -0.80 2.73 -0.17 1.61 2.02 -1.00 -4.73 118.70 118.36 1pn4 s GLU 238 Ca 0.00 0.17 -0.04 0.00 0.02 0.00 0.00 54.97 55.13 1pn4 s GLU 238 Cb 0.00 -2.13 -0.02 0.00 0.10 0.00 0.00 34.13 32.08 1pn4 s GLU 238 CO 0.00 -0.98 -0.04 0.99 0.02 0.00 0.00 175.26 175.25 1pn4 s THR 239 N -3.23 3.77 0.30 3.63 2.01 -1.26 -1.22 115.64 119.64 1pn4 s THR 239 Ca 0.57 -0.39 -0.12 0.00 0.31 0.00 0.00 61.69 62.06 1pn4 s THR 239 Cb -0.11 -2.66 -0.08 0.00 0.01 0.00 0.00 72.50 69.66 1pn4 s THR 239 CO 0.48 0.48 0.66 -0.76 -0.69 0.00 0.00 174.62 174.79 1pn4 s LEU 240 N 0.58 4.06 -0.20 4.42 1.43 -0.13 -1.46 118.68 127.37 1pn4 s LEU 240 Ca -0.03 1.09 0.01 0.00 -1.03 0.00 0.00 54.13 54.17 1pn4 s LEU 240 Cb -0.14 -3.90 0.04 0.00 0.03 0.00 0.00 46.19 42.22 1pn4 s LEU 240 CO 0.03 -0.19 -0.10 -0.60 0.23 0.00 0.00 176.35 175.71 1pn4 s ARG 241 N -3.11 2.03 -0.28 1.70 3.52 0.28 -1.15 118.95 121.94 1pn4 s ARG 241 Ca 0.51 -0.87 -0.17 0.00 -0.13 0.00 0.00 55.73 55.06 1pn4 s ARG 241 Cb -0.11 -2.45 -0.03 0.00 -1.56 0.00 0.00 34.95 30.81 1pn4 s ARG 241 CO 0.22 -0.44 0.46 0.08 -0.81 0.00 0.00 175.30 174.81 1pn4 s VAL 242 N 1.38 5.10 -0.14 7.11 1.01 -0.39 0.09 120.40 134.57 1pn4 s VAL 242 Ca -0.02 0.65 -0.04 0.00 0.00 0.00 0.00 61.98 62.57 1pn4 s VAL 242 Cb -0.16 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 1pn4 s VAL 242 CO -0.08 0.05 -0.00 -0.76 0.00 0.00 0.00 175.10 174.31 1pn4 s LEU 243 N 2.23 3.47 -0.05 3.92 1.02 0.70 -1.82 118.68 128.15 1pn4 s LEU 243 Ca 0.18 0.00 0.02 0.00 0.02 0.00 0.00 54.13 54.36 1pn4 s LEU 243 Cb -0.16 -1.83 0.01 0.00 0.02 0.00 0.00 46.19 44.23 1pn4 s LEU 243 CO 0.10 0.24 -0.11 0.00 0.02 0.00 0.00 176.35 176.60 1pn4 s ALA 244 N -0.03 1.09 -0.12 4.21 0.00 0.15 -1.23 121.76 125.83 1pn4 s ALA 244 Ca 0.03 -0.35 0.03 0.00 0.00 0.00 0.00 51.96 51.67 1pn4 s ALA 244 Cb -0.13 -0.48 0.00 0.00 0.00 0.00 0.00 23.12 22.52 1pn4 s ALA 244 CO 0.02 0.12 -0.23 -1.58 0.00 0.00 0.00 175.76 174.09 1pn4 s TRP 245 N 0.54 2.61 -0.45 0.00 0.51 0.84 -0.62 118.94 122.38 1pn4 s TRP 245 Ca -0.11 -1.15 -0.19 0.00 -2.12 0.00 0.00 56.10 52.53 1pn4 s TRP 245 Cb -0.14 -1.76 0.03 0.00 -0.81 0.00 0.00 33.47 30.80 1pn4 s TRP 245 CO 0.02 -0.49 0.57 0.21 -0.51 0.00 0.00 176.95 176.76 1pn4 s LYS 246 N 0.53 3.19 0.01 4.98 2.20 -1.26 0.28 119.74 129.67 1pn4 s LYS 246 Ca -0.14 -0.59 0.21 0.00 -0.36 0.00 0.00 55.97 55.09 1pn4 s LYS 246 Cb -0.17 -3.98 -0.23 0.00 -1.51 0.00 0.00 37.83 31.94 1pn4 s LYS 246 CO 0.05 -1.00 0.60 0.39 -0.36 0.00 0.00 175.35 175.02 1pn4 n GLU 247 N 6.03 0.65 -3.24 4.03 -0.58 -0.06 -4.98 120.64 122.49 1pn4 n GLU 247 Ca -0.04 -0.06 -0.10 0.00 -0.42 0.00 0.00 57.16 56.54 1pn4 n GLU 247 Cb 0.47 -1.62 -0.01 0.00 -0.57 0.00 0.00 31.44 29.71 1pn4 n GLU 247 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1pn4 n SER 248 N -2.48 -1.15 0.18 1.62 3.41 -1.15 -4.96 113.62 109.08 1pn4 n SER 248 Ca -0.07 -2.32 0.13 0.00 -0.26 0.00 0.00 58.87 56.35 1pn4 n SER 248 Cb 0.66 2.07 0.63 0.00 -0.26 0.00 0.00 64.21 67.32 1pn4 n SER 248 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1pn4 h ASP 249 N 1.43 0.00 0.00 4.04 3.32 -2.04 -3.25 116.42 119.93 1pn4 h ASP 249 Ca -0.21 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.61 1pn4 h ASP 249 Cb 0.87 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.38 1pn4 h ASP 249 CO 0.28 0.00 -1.88 0.47 -1.72 0.00 0.00 179.24 176.39 1pn4 n ASP 250 N -2.45 2.48 -4.06 6.45 8.00 -1.26 -4.94 116.55 120.78 1pn4 n ASP 250 Ca 0.00 -0.05 -0.31 0.00 0.71 0.00 0.00 54.79 55.14 1pn4 n ASP 250 Cb 0.15 0.14 -0.16 0.00 -0.02 0.00 0.00 41.12 41.22 1pn4 n ASP 250 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1pn4 s THR 251 N -2.31 1.73 -0.32 -3.53 2.01 -1.23 -0.47 115.64 111.52 1pn4 s THR 251 Ca -0.16 -0.74 -0.08 0.00 0.31 0.00 0.00 61.69 61.02 1pn4 s THR 251 Cb 0.05 -1.59 0.02 0.00 0.01 0.00 0.00 72.50 70.98 1pn4 s THR 251 CO 0.41 0.49 0.13 -0.63 -0.69 0.00 0.00 174.62 174.33 1pn4 s ILE 252 N 1.35 4.17 0.21 1.82 -1.09 -0.76 -0.88 121.20 126.01 1pn4 s ILE 252 Ca 0.03 -0.78 -0.25 0.00 -2.23 0.00 0.00 60.65 57.43 1pn4 s ILE 252 Cb -0.13 -3.23 -0.08 0.00 -1.58 0.00 0.00 42.46 37.43 1pn4 s ILE 252 CO -0.10 -0.05 0.80 -0.69 -1.23 0.00 0.00 174.94 173.67 1pn4 s VAL 253 N 1.51 4.36 0.18 2.92 1.01 0.14 -1.39 120.40 129.14 1pn4 s VAL 253 Ca 0.02 1.67 -0.05 0.00 0.00 0.00 0.00 61.98 63.62 1pn4 s VAL 253 Cb -0.18 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.09 1pn4 s VAL 253 CO 0.04 0.40 0.20 0.72 0.00 0.00 0.00 175.10 176.46 1pn4 s PHE 254 N -1.30 0.78 -0.01 5.22 -0.71 0.19 -0.11 117.98 122.05 1pn4 s PHE 254 Ca 0.40 -1.10 -0.02 0.00 -1.04 0.00 0.00 56.93 55.17 1pn4 s PHE 254 Cb -0.21 -0.31 -0.00 0.00 -1.21 0.00 0.00 43.02 41.29 1pn4 s PHE 254 CO 0.25 -0.68 0.05 -0.65 -1.34 0.00 0.00 175.22 172.84 1pn4 s GLN 255 N -4.07 0.19 -0.18 1.99 -0.21 -0.36 -3.66 119.66 113.36 1pn4 s GLN 255 Ca 0.28 -0.18 -0.00 0.00 0.02 0.00 0.00 55.36 55.48 1pn4 s GLN 255 Cb 0.05 0.08 0.01 0.00 1.00 0.00 0.00 33.01 34.14 1pn4 s GLN 255 CO 0.06 -0.03 -0.15 0.99 -2.12 0.00 0.00 175.29 174.04 1pn4 s THR 256 N -0.58 2.56 0.20 -0.19 2.01 -0.40 -0.22 115.64 119.03 1pn4 s THR 256 Ca -0.06 -0.78 0.07 0.00 0.31 0.00 0.00 61.69 61.22 1pn4 s THR 256 Cb -0.04 -2.10 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 1pn4 s THR 256 CO -0.00 0.50 0.11 -1.00 -0.69 0.00 0.00 174.62 173.55 1pn4 s HIS 257 N 1.17 3.03 -0.34 4.92 3.76 0.11 0.29 115.29 128.24 1pn4 s HIS 257 Ca 0.02 -0.09 -0.12 0.00 -0.15 0.00 0.00 55.06 54.72 1pn4 s HIS 257 Cb -0.14 -1.42 -0.01 0.00 1.11 0.00 0.00 32.58 32.12 1pn4 s HIS 257 CO -0.06 0.53 0.21 0.08 -0.85 0.00 0.00 174.74 174.65 1pn4 s VAL 258 N -1.92 4.97 0.21 -0.90 1.01 -0.13 0.10 120.40 123.75 1pn4 s VAL 258 Ca 0.31 -0.38 -0.06 0.00 0.00 0.00 0.00 61.98 61.85 1pn4 s VAL 258 Cb -0.09 -3.58 0.09 0.00 0.00 0.00 0.00 36.38 32.80 1pn4 s VAL 258 CO 0.22 -0.02 1.69 0.58 0.00 0.00 0.00 175.10 177.58 1pn4 h VAL 259 N 5.60 1.26 -0.45 2.92 2.07 -1.55 -0.14 116.25 125.95 1pn4 h VAL 259 Ca -0.31 -1.08 -0.12 0.00 0.82 0.00 0.00 66.70 66.01 1pn4 h VAL 259 Cb 1.15 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1pn4 h VAL 259 CO 0.64 0.39 -0.20 0.44 0.02 0.00 0.00 177.57 178.86 1pn4 h ASP 260 N 0.92 0.92 -0.00 0.57 5.19 -1.94 -3.21 116.42 118.87 1pn4 h ASP 260 Ca 0.17 -0.33 0.00 0.00 -0.62 0.00 0.00 57.03 56.25 1pn4 h ASP 260 Cb 0.50 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.76 1pn4 h ASP 260 CO 0.02 1.09 -0.36 0.54 -3.12 0.00 0.00 179.24 177.41 1pn4 n ARG 261 N -4.12 2.92 -2.18 3.56 1.74 -1.23 -5.01 116.66 112.33 1pn4 n ARG 261 Ca 0.00 -0.28 -0.12 0.00 -0.77 0.00 0.00 57.85 56.68 1pn4 n ARG 261 Cb 0.44 -1.04 -0.01 0.00 -1.02 0.00 0.00 32.46 30.83 1pn4 n ARG 261 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pn4 n GLY 262 N 1.10 -0.05 3.96 -0.13 0.00 -0.08 -5.03 105.19 104.95 1pn4 n GLY 262 Ca 0.03 -0.37 -0.19 0.00 0.00 0.00 0.00 46.02 45.49 1pn4 n GLY 262 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pn4 s THR 263 N -2.61 3.05 -0.32 2.61 -4.23 -1.13 -4.93 115.64 108.08 1pn4 s THR 263 Ca 0.00 -1.12 -0.13 0.00 -1.18 0.00 0.00 61.69 59.26 1pn4 s THR 263 Cb 0.00 -3.06 -0.03 0.00 1.34 0.00 0.00 72.50 70.76 1pn4 s THR 263 CO 0.00 -0.03 0.25 -0.63 -0.54 0.00 0.00 174.62 173.67 1pn4 s ILE 264 N -2.36 5.28 -0.08 2.99 1.01 -1.26 -0.95 121.20 125.81 1pn4 s ILE 264 Ca 0.51 -0.07 -0.19 0.00 0.00 0.00 0.00 60.65 60.90 1pn4 s ILE 264 Cb -0.08 -3.68 -0.29 0.00 0.01 0.00 0.00 42.46 38.42 1pn4 s ILE 264 CO 0.31 0.05 0.68 0.00 0.00 0.00 0.00 174.94 175.98 1pn4 h ALA 265 N 8.45 0.07 -3.69 9.38 0.00 -0.37 -2.91 119.26 130.19 1pn4 h ALA 265 Ca -0.32 -0.93 -0.59 0.00 0.00 0.00 0.00 54.91 53.07 1pn4 h ALA 265 Cb 1.16 0.33 -0.32 0.00 0.00 0.00 0.00 17.79 18.96 1pn4 h ALA 265 CO 0.62 0.63 -0.85 0.42 0.00 0.00 0.00 179.25 180.08 1pn4 s ILE 266 N -2.45 1.58 0.31 0.00 1.01 -0.06 -1.37 121.20 120.22 1pn4 s ILE 266 Ca -0.18 -0.77 0.05 0.00 0.00 0.00 0.00 60.65 59.76 1pn4 s ILE 266 Cb 0.03 -1.37 -0.03 0.00 0.01 0.00 0.00 42.46 41.10 1pn4 s ILE 266 CO 0.79 0.45 0.24 0.21 0.00 0.00 0.00 174.94 176.62 1pn4 s ASN 267 N 0.22 1.44 -1.36 3.58 3.84 -0.47 -1.28 114.94 120.90 1pn4 s ASN 267 Ca -0.09 -1.68 -0.07 0.00 0.21 0.00 0.00 52.86 51.23 1pn4 s ASN 267 Cb -0.14 0.51 0.00 0.00 -0.55 0.00 0.00 41.25 41.07 1pn4 s ASN 267 CO 0.04 -1.01 0.44 0.59 -2.79 0.00 0.00 177.10 174.38 1pn4 n ASN 268 N -1.26 -1.32 -4.11 -4.21 4.13 -1.26 -1.61 115.26 105.61 1pn4 n ASN 268 Ca 0.06 -1.08 -0.17 0.00 1.68 0.00 0.00 54.58 55.06 1pn4 n ASN 268 Cb 0.63 -2.75 -0.13 0.00 -1.54 0.00 0.00 39.78 36.00 1pn4 n ASN 268 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1pn4 s ALA 269 N -3.90 0.95 0.14 5.41 0.00 -1.24 -3.81 121.76 119.31 1pn4 s ALA 269 Ca 0.13 -0.79 -0.18 0.00 0.00 0.00 0.00 51.96 51.12 1pn4 s ALA 269 Cb -0.06 -0.10 0.05 0.00 0.00 0.00 0.00 23.12 23.01 1pn4 s ALA 269 CO 0.91 0.14 0.47 0.00 0.00 0.00 0.00 175.76 177.28 1pn4 s ALA 270 N -1.00 -1.14 0.18 0.00 0.00 -0.83 -0.64 121.76 118.32 1pn4 s ALA 270 Ca -0.02 0.11 0.10 0.00 0.00 0.00 0.00 51.96 52.15 1pn4 s ALA 270 Cb -0.08 0.76 -0.04 0.00 0.00 0.00 0.00 23.12 23.76 1pn4 s ALA 270 CO 0.01 -0.69 -0.20 0.96 0.00 0.00 0.00 175.76 175.84 1pn4 s ILE 271 N -3.79 2.01 -0.19 0.00 -4.36 -0.48 -2.34 121.20 112.05 1pn4 s ILE 271 Ca 0.03 -1.96 0.01 0.00 -0.26 0.00 0.00 60.65 58.47 1pn4 s ILE 271 Cb 0.01 -1.94 0.02 0.00 1.25 0.00 0.00 42.46 41.80 1pn4 s ILE 271 CO -0.12 -0.24 -0.17 -0.75 0.24 0.00 0.00 174.94 173.89 1pn4 s LYS 272 N -2.74 2.92 0.27 0.37 2.20 -0.22 -1.83 119.74 120.70 1pn4 s LYS 272 Ca 0.17 -0.88 -0.29 0.00 -0.36 0.00 0.00 55.97 54.61 1pn4 s LYS 272 Cb -0.07 -2.65 -0.10 0.00 -1.51 0.00 0.00 37.83 33.51 1pn4 s LYS 272 CO 0.08 -0.26 1.25 -0.51 -0.36 0.00 0.00 175.35 175.55 1pn4 s LEU 273 N 1.28 4.46 0.31 5.43 1.43 0.38 -1.72 118.68 130.25 1pn4 s LEU 273 Ca 0.03 2.47 -0.29 0.00 -1.03 0.00 0.00 54.13 55.31 1pn4 s LEU 273 Cb -0.14 -3.63 -0.10 0.00 0.03 0.00 0.00 46.19 42.35 1pn4 s LEU 273 CO -0.11 -0.42 1.26 -0.69 0.23 0.00 0.00 176.35 176.62 1pn4 s VAL 274 N -0.72 2.93 0.27 -1.59 1.01 -0.64 -4.75 120.40 116.92 1pn4 s VAL 274 Ca 0.50 0.93 -0.00 0.00 0.00 0.00 0.00 61.98 63.41 1pn4 s VAL 274 Cb -0.36 -3.59 0.05 0.00 0.00 0.00 0.00 36.38 32.48 1pn4 s VAL 274 CO 0.45 0.22 0.37 0.61 0.00 0.00 0.00 175.10 176.74 1pn4 n GLY 275 N 1.00 0.74 0.04 4.51 0.00 -1.26 -4.86 105.19 105.36 1pn4 n GLY 275 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.04 1pn4 n GLY 275 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66