#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 4.34 -0.38 0.52 1.01 -1.26 -2.52 120.40 122.10 1pn4 s VAL 6 Ca 0.00 -0.63 -0.28 0.00 0.00 0.00 0.00 61.98 61.07 1pn4 s VAL 6 Cb 0.00 -3.28 0.02 0.00 0.00 0.00 0.00 36.38 33.12 1pn4 s VAL 6 CO 0.00 0.00 1.03 0.86 0.00 0.00 0.00 175.10 176.99 1pn4 s TRP 7 N 1.55 3.03 -0.19 5.22 -0.00 0.34 -4.89 118.94 124.00 1pn4 s TRP 7 Ca 0.03 0.88 -0.14 0.00 -0.00 0.00 0.00 56.10 56.87 1pn4 s TRP 7 Cb -0.18 -3.88 -0.04 0.00 -0.00 0.00 0.00 33.47 29.37 1pn4 s TRP 7 CO 0.05 -0.94 0.32 1.03 -0.00 0.00 0.00 176.95 177.41 1pn4 s ARG 8 N 3.80 4.19 0.10 5.86 0.52 -1.26 -1.16 118.95 130.99 1pn4 s ARG 8 Ca 0.43 0.08 -0.06 0.00 -0.52 0.00 0.00 55.73 55.66 1pn4 s ARG 8 Cb -0.11 -3.50 -0.01 0.00 0.52 0.00 0.00 34.95 31.85 1pn4 s ARG 8 CO 0.21 0.08 0.15 -0.59 0.02 0.00 0.00 175.30 175.17 1pn4 s PHE 9 N 0.95 0.33 0.00 -0.53 -0.71 -0.56 -5.03 117.98 112.44 1pn4 s PHE 9 Ca 0.16 -0.77 0.00 0.00 -1.04 0.00 0.00 56.93 55.28 1pn4 s PHE 9 Cb -0.14 -0.17 0.00 0.00 -1.21 0.00 0.00 43.02 41.51 1pn4 s PHE 9 CO 0.06 -0.53 0.00 -0.40 -1.34 0.00 0.00 175.22 173.00 1pn4 n ASP 10 N -0.05 0.00 -0.06 1.98 5.75 -1.26 -1.48 116.55 121.43 1pn4 n ASP 10 Ca -0.13 -0.82 0.03 0.00 -0.01 0.00 0.00 54.79 53.86 1pn4 n ASP 10 Cb 0.62 0.00 0.37 0.00 -1.03 0.00 0.00 41.12 41.08 1pn4 n ASP 10 CO 0.00 0.00 0.00 -2.24 -0.11 0.00 0.00 177.20 174.85 1pn4 h ASP 11 N 0.00 0.58 -0.47 -1.12 3.04 -1.95 -1.49 116.42 115.01 1pn4 h ASP 11 Ca 0.00 -0.02 0.06 0.00 -3.24 0.00 0.00 57.03 53.83 1pn4 h ASP 11 Cb 0.00 -0.15 -0.05 0.00 -1.04 0.00 0.00 39.33 38.09 1pn4 h ASP 11 CO 0.00 0.44 0.17 -0.09 -2.04 0.00 0.00 179.24 177.71 1pn4 h ARG 12 N 0.68 0.33 -0.62 4.15 2.43 -1.97 0.13 114.38 119.52 1pn4 h ARG 12 Ca 0.18 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 1pn4 h ARG 12 Cb -0.05 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 1pn4 h ARG 12 CO -0.04 0.22 0.26 -0.44 -1.51 0.00 0.00 179.97 178.46 1pn4 h ASP 13 N 0.34 0.84 0.21 -3.80 3.32 -1.66 -1.20 116.42 114.47 1pn4 h ASP 13 Ca 0.22 -0.16 0.01 0.00 0.02 0.00 0.00 57.03 57.12 1pn4 h ASP 13 Cb 0.22 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 1pn4 h ASP 13 CO -0.23 0.77 -0.29 0.58 -1.72 0.00 0.00 179.24 178.36 1pn4 h VAL 14 N 0.86 0.38 -0.40 -1.35 2.07 -1.03 -1.74 116.25 115.03 1pn4 h VAL 14 Ca 0.21 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.67 1pn4 h VAL 14 Cb 0.18 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1pn4 h VAL 14 CO -0.02 0.00 0.02 0.40 0.02 0.00 0.00 177.57 177.99 1pn4 h ILE 15 N -0.56 1.25 -0.87 4.57 2.04 -0.91 -0.51 117.51 122.52 1pn4 h ILE 15 Ca 0.01 -0.96 0.14 0.00 1.00 0.00 0.00 64.86 65.04 1pn4 h ILE 15 Cb 0.55 1.10 -0.09 0.00 -0.74 0.00 0.00 36.82 37.64 1pn4 h ILE 15 CO -0.11 0.33 0.47 0.25 0.00 0.00 0.00 178.15 179.09 1pn4 h LEU 16 N 0.52 0.61 -0.06 1.44 5.85 -1.22 -0.71 115.31 121.74 1pn4 h LEU 16 Ca 0.12 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.87 1pn4 h LEU 16 Cb 0.44 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1pn4 h LEU 16 CO 0.02 0.28 -0.13 0.22 -0.34 0.00 0.00 178.44 178.49 1pn4 h TYR 17 N 0.70 0.24 -0.58 1.25 3.20 -1.06 -2.88 116.97 117.84 1pn4 h TYR 17 Ca 0.46 -0.09 0.08 0.00 3.14 0.00 0.00 58.73 62.32 1pn4 h TYR 17 Cb 0.59 -0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.75 1pn4 h TYR 17 CO -0.07 0.72 0.24 -0.91 -1.64 0.00 0.00 178.16 176.50 1pn4 h ASN 18 N -0.31 0.27 -0.92 -2.11 2.35 -0.71 -1.96 115.58 112.20 1pn4 h ASN 18 Ca 0.00 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1pn4 h ASN 18 Cb 0.71 0.03 -0.04 0.00 0.05 0.00 0.00 38.32 39.07 1pn4 h ASN 18 CO 0.03 0.17 0.58 0.40 -1.65 0.00 0.00 177.43 176.95 1pn4 h ILE 19 N 0.44 1.25 -0.31 2.81 2.04 -1.21 -1.44 117.51 121.08 1pn4 h ILE 19 Ca 0.29 -0.50 -0.08 0.00 1.00 0.00 0.00 64.86 65.57 1pn4 h ILE 19 Cb 0.31 -0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.30 1pn4 h ILE 19 CO -0.26 0.25 -0.14 0.00 0.00 0.00 0.00 178.15 178.00 1pn4 h ALA 20 N 1.32 1.19 0.00 1.87 0.00 -1.15 -1.21 119.26 121.28 1pn4 h ALA 20 Ca 0.33 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1pn4 h ALA 20 Cb -0.09 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1pn4 h ALA 20 CO -0.07 0.52 0.00 1.28 0.00 0.00 0.00 179.25 180.98 1pn4 n LEU 21 N -4.19 0.00 0.00 0.00 4.77 -0.85 -4.89 117.00 111.84 1pn4 n LEU 21 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1pn4 n LEU 21 Cb 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1pn4 n LEU 21 CO 0.41 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1pn4 n GLY 22 N 0.63 0.89 3.74 -0.72 0.00 -0.46 -4.63 105.19 104.63 1pn4 n GLY 22 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 3.63 0.53 4.61 0.00 -0.58 -4.98 121.76 122.97 1pn4 s ALA 23 Ca 0.00 1.28 0.03 0.00 0.00 0.00 0.00 51.96 53.27 1pn4 s ALA 23 Cb 0.00 -3.55 0.01 0.00 0.00 0.00 0.00 23.12 19.58 1pn4 s ALA 23 CO 0.00 -0.70 0.17 0.95 0.00 0.00 0.00 175.76 176.18 1pn4 s THR 24 N 0.29 1.32 -0.90 0.00 -4.23 -1.26 -4.41 115.64 106.45 1pn4 s THR 24 Ca 0.61 -1.79 0.20 0.00 -1.18 0.00 0.00 61.69 59.54 1pn4 s THR 24 Cb -0.41 -2.11 0.18 0.00 1.34 0.00 0.00 72.50 71.51 1pn4 s THR 24 CO 0.39 0.00 1.64 0.35 -0.54 0.00 0.00 174.62 176.46 1pn4 n THR 25 N -1.49 0.70 0.33 3.99 -2.24 -1.26 -1.43 114.28 112.88 1pn4 n THR 25 Ca -0.12 0.15 0.15 0.00 -2.27 0.00 0.00 64.05 61.95 1pn4 n THR 25 Cb 0.66 -0.87 0.62 0.00 -2.10 0.00 0.00 70.33 68.63 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 -3.12 -0.78 1.57 -2.00 -3.34 116.57 108.90 1pn4 h LYS 26 Ca 0.00 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.14 1pn4 h LYS 26 Cb 0.36 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.27 1pn4 h LYS 26 CO 0.00 0.00 -0.48 -0.65 -0.57 0.00 0.00 179.45 177.75 1pn4 s GLN 27 N -3.53 2.63 0.58 3.15 -0.21 -0.52 -4.93 119.66 116.84 1pn4 s GLN 27 Ca 0.02 -3.36 0.37 0.00 0.02 0.00 0.00 55.36 52.42 1pn4 s GLN 27 Cb 0.09 -3.53 1.70 0.00 1.00 0.00 0.00 33.01 32.27 1pn4 s GLN 27 CO 0.47 -1.28 2.10 -0.07 -2.12 0.00 0.00 175.29 174.38 1pn4 h LEU 28 N 5.49 0.00 -2.01 2.90 3.38 -1.75 -1.64 115.31 121.67 1pn4 h LEU 28 Ca 0.15 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.15 1pn4 h LEU 28 Cb 0.76 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 1pn4 h LEU 28 CO 0.75 0.00 0.08 0.07 0.09 0.00 0.00 178.44 179.43 1pn4 h LYS 29 N 0.00 0.00 0.00 1.13 2.10 -1.86 -1.73 116.57 116.21 1pn4 h LYS 29 Ca 0.00 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.48 1pn4 h LYS 29 Cb 0.35 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.65 1pn4 h LYS 29 CO 0.00 0.00 -1.95 0.66 -2.00 0.00 0.00 179.45 176.16 1pn4 n TYR 30 N -4.48 0.29 -0.04 0.07 4.01 -0.62 -1.53 117.16 114.85 1pn4 n TYR 30 Ca -0.00 0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 1pn4 n TYR 30 Cb 0.20 -0.85 0.00 0.00 -0.31 0.00 0.00 39.34 38.38 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 -2.61 0.17 -3.77 -0.72 0.24 -1.14 -4.43 118.33 106.06 1pn4 n VAL 31 Ca -0.16 -0.56 -0.27 0.00 -2.04 0.00 0.00 64.34 61.31 1pn4 n VAL 31 Cb 0.85 0.95 -0.17 0.00 -1.47 0.00 0.00 33.84 34.00 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 -0.17 1.14 0.58 6.34 5.04 -0.66 -5.00 117.35 124.62 1pn4 s TYR 32 Ca 0.00 -0.83 0.28 0.00 -2.44 0.00 0.00 57.07 54.08 1pn4 s TYR 32 Cb 0.00 -1.06 1.63 0.00 0.35 0.00 0.00 41.96 42.88 1pn4 s TYR 32 CO 0.00 -0.57 2.12 1.05 -1.34 0.00 0.00 175.55 176.80 1pn4 h GLU 33 N 8.22 0.00 -0.21 4.97 9.09 -1.93 -2.21 114.58 132.52 1pn4 h GLU 33 Ca -0.18 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.23 1pn4 h GLU 33 Cb 1.12 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.22 1pn4 h GLU 33 CO 0.34 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.49 1pn4 n ASN 34 N -3.91 3.03 -4.72 3.06 3.02 -1.26 -4.88 115.26 109.60 1pn4 n ASN 34 Ca 0.01 -1.95 -0.42 0.00 -0.03 0.00 0.00 54.58 52.19 1pn4 n ASN 34 Cb 0.29 -0.12 -0.01 0.00 -0.61 0.00 0.00 39.78 39.32 1pn4 n ASN 34 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1pn4 n ASP 35 N 1.27 3.27 0.28 6.41 2.03 -0.83 -4.91 116.55 124.08 1pn4 n ASP 35 Ca 0.17 1.18 0.17 0.00 0.52 0.00 0.00 54.79 56.84 1pn4 n ASP 35 Cb 0.57 -1.53 0.74 0.00 -0.72 0.00 0.00 41.12 40.18 1pn4 n ASP 35 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1pn4 h SER 36 N 3.53 0.00 -0.53 1.67 4.64 -1.91 -2.33 113.55 118.62 1pn4 h SER 36 Ca -0.47 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.72 1pn4 h SER 36 Cb 1.26 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.27 1pn4 h SER 36 CO 0.70 0.03 0.12 -0.67 -0.87 0.00 0.00 176.83 176.13 1pn4 n ASP 37 N -3.14 4.33 -4.69 4.97 2.03 -1.26 -5.03 116.55 113.76 1pn4 n ASP 37 Ca -0.00 -3.22 -0.44 0.00 0.52 0.00 0.00 54.79 51.65 1pn4 n ASP 37 Cb 0.28 -0.67 -0.03 0.00 -0.72 0.00 0.00 41.12 39.99 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 -0.32 2.36 -3.48 -0.67 7.35 -0.88 -4.76 117.46 117.05 1pn4 n PHE 38 Ca 0.33 0.34 -0.10 0.00 -0.76 0.00 0.00 57.45 57.26 1pn4 n PHE 38 Cb 1.18 -2.52 -0.02 0.00 0.35 0.00 0.00 39.48 38.47 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 -0.03 0.96 0.03 -4.13 -2.07 -0.58 -5.02 119.66 108.81 1pn4 s GLN 39 Ca 0.70 -0.35 0.06 0.00 -1.82 0.00 0.00 55.36 53.95 1pn4 s GLN 39 Cb -0.62 0.44 -0.03 0.00 -1.09 0.00 0.00 33.01 31.71 1pn4 s GLN 39 CO 0.46 -0.42 -0.14 0.54 -1.32 0.00 0.00 175.29 174.41 1pn4 s VAL 40 N -3.30 3.10 0.01 3.63 0.11 -1.26 -4.43 120.40 118.25 1pn4 s VAL 40 Ca 0.04 -1.03 -0.30 0.00 -2.93 0.00 0.00 61.98 57.75 1pn4 s VAL 40 Cb -0.01 -2.32 -0.06 0.00 -1.53 0.00 0.00 36.38 32.46 1pn4 s VAL 40 CO -0.10 0.36 1.46 -0.63 -3.33 0.00 0.00 175.10 172.85 1pn4 s ILE 41 N -0.95 3.60 0.17 7.04 1.01 -1.26 -4.90 121.20 125.91 1pn4 s ILE 41 Ca 0.16 0.98 0.34 0.00 0.00 0.00 0.00 60.65 62.13 1pn4 s ILE 41 Cb -0.11 -3.63 0.37 0.00 0.01 0.00 0.00 42.46 39.10 1pn4 s ILE 41 CO 0.06 -0.01 2.04 1.55 0.00 0.00 0.00 174.94 178.58 1pn4 h PRO 42 N 8.02 0.00 0.00 2.79 0.13 -1.98 -1.76 132.00 139.20 1pn4 h PRO 42 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1pn4 h PRO 42 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1pn4 h PRO 42 CO 0.91 0.00 0.15 1.79 -0.23 0.00 0.00 178.00 180.63 1pn4 h THR 43 N 0.00 0.00 -1.41 1.56 1.35 -1.94 -1.80 112.91 110.68 1pn4 h THR 43 Ca 0.00 0.00 0.43 0.00 -0.55 0.00 0.00 66.41 66.29 1pn4 h THR 43 Cb 0.26 0.66 -0.10 0.00 -1.73 0.00 0.00 68.15 67.23 1pn4 h THR 43 CO 0.00 0.00 0.95 0.15 -0.25 0.00 0.00 175.52 176.37 1pn4 h PHE 44 N 0.00 0.37 0.00 4.73 3.57 -1.70 -1.03 116.94 122.88 1pn4 h PHE 44 Ca 0.00 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 1pn4 h PHE 44 Cb 0.31 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.95 1pn4 h PHE 44 CO 0.00 -0.11 -0.00 0.78 -2.23 0.00 0.00 178.31 176.75 1pn4 h GLY 45 N 0.09 0.00 2.00 2.40 0.00 -1.59 -2.28 103.07 103.69 1pn4 h GLY 45 Ca 0.79 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 48.12 1pn4 h GLY 45 CO -0.27 0.00 -0.02 1.12 0.00 0.00 0.00 176.54 177.37 1pn4 h HIS 46 N 0.00 0.00 0.00 5.60 2.07 -1.43 -3.28 115.15 118.10 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 0.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.22 1pn4 h HIS 46 CO 0.00 0.02 0.00 -0.07 -3.07 0.00 0.00 177.93 174.81 1pn4 h LEU 47 N 0.00 0.00 -1.87 6.12 3.38 -1.60 0.69 115.31 122.03 1pn4 h LEU 47 Ca -0.00 0.00 0.26 0.00 0.09 0.00 0.00 57.88 58.23 1pn4 h LEU 47 Cb 0.39 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1pn4 h LEU 47 CO 0.00 0.00 0.75 0.16 0.09 0.00 0.00 178.44 179.44 1pn4 h ILE 48 N 0.00 0.36 -0.31 1.22 -0.00 -1.81 -0.53 117.51 116.45 1pn4 h ILE 48 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 64.86 64.95 1pn4 h ILE 48 Cb 0.19 0.45 -0.01 0.00 -0.00 0.00 0.00 36.82 37.44 1pn4 h ILE 48 CO 0.00 0.00 0.24 0.74 -0.00 0.00 0.00 178.15 179.13 1pn4 h THR 49 N 0.00 0.73 0.00 0.16 2.02 -1.15 -3.23 112.91 111.44 1pn4 h THR 49 Ca 0.42 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.60 1pn4 h THR 49 Cb 1.92 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 69.16 1pn4 h THR 49 CO -0.00 0.00 -0.39 0.49 0.37 0.00 0.00 175.52 175.98 1pn4 n PHE 50 N -4.26 0.00 -1.17 3.16 3.72 -0.28 -4.79 117.46 113.83 1pn4 n PHE 50 Ca 0.04 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.53 1pn4 n PHE 50 Cb 0.41 -0.01 0.16 0.00 -0.94 0.00 0.00 39.48 39.10 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 -1.20 2.31 -0.56 4.37 3.02 -0.72 -4.62 115.26 117.86 1pn4 n ASN 51 Ca 0.00 -3.25 0.05 0.00 -0.03 0.00 0.00 54.58 51.35 1pn4 n ASN 51 Cb 0.02 -0.46 0.13 0.00 -0.61 0.00 0.00 39.78 38.87 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 -1.33 2.80 -0.02 6.41 7.64 -1.22 -3.69 113.62 124.21 1pn4 n SER 52 Ca 0.17 -2.00 0.00 0.00 1.01 0.00 0.00 58.87 58.06 1pn4 n SER 52 Cb 0.67 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 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 0.39 -1.74 0.23 0.23 0.00 -1.26 -4.21 105.19 98.83 1pn4 n GLY 53 Ca 0.10 -1.35 0.07 0.00 0.00 0.00 0.00 46.02 44.84 1pn4 n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pn4 h LYS 54 N 0.00 0.00 0.00 1.61 1.57 -1.99 -1.79 116.57 115.97 1pn4 h LYS 54 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1pn4 h LYS 54 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1pn4 h LYS 54 CO 0.00 0.20 -0.01 0.66 -0.57 0.00 0.00 179.45 179.72 1pn4 h SER 55 N 0.00 0.00 0.46 0.86 4.64 -2.00 -2.08 113.55 115.43 1pn4 h SER 55 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pn4 h SER 55 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1pn4 h SER 55 CO 0.03 0.01 0.00 0.06 -0.87 0.00 0.00 176.83 176.06 1pn4 h GLN 56 N 0.00 0.00 -0.27 4.77 3.07 -1.55 -2.26 115.11 118.86 1pn4 h GLN 56 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1pn4 h GLN 56 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.60 1pn4 h GLN 56 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 178.83 179.01 1pn4 n ASN 57 N -2.66 1.80 0.26 0.06 3.02 -0.78 -4.55 115.26 112.42 1pn4 n ASN 57 Ca -0.00 -1.87 0.11 0.00 -0.03 0.00 0.00 54.58 52.79 1pn4 n ASN 57 Cb 0.17 -0.18 0.73 0.00 -0.61 0.00 0.00 39.78 39.89 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 2.14 0.00 -0.55 6.41 4.64 -1.58 -2.29 113.55 122.32 1pn4 h SER 58 Ca 0.00 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.48 1pn4 h SER 58 Cb 0.48 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.55 1pn4 h SER 58 CO 0.00 0.09 0.44 2.19 -0.87 0.00 0.00 176.83 178.68 1pn4 h PHE 59 N 0.00 0.00 0.00 4.77 -5.15 -1.85 -2.41 116.94 112.30 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 0.21 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.38 1pn4 h PHE 59 CO 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.31 1pn4 h ALA 60 N 1.64 1.00 0.00 12.09 0.00 -1.79 -2.85 119.26 129.35 1pn4 h ALA 60 Ca 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1pn4 h ALA 60 Cb 1.13 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1pn4 h ALA 60 CO -0.00 0.00 -0.04 0.87 0.00 0.00 0.00 179.25 180.08 1pn4 h LYS 61 N 0.00 0.00 -0.01 0.00 1.57 -1.63 -1.97 116.57 114.53 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 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1pn4 h LYS 61 CO 0.00 0.04 -0.30 1.28 -0.57 0.00 0.00 179.45 179.91 1pn4 n LEU 62 N -3.38 1.06 -4.90 2.94 4.77 -1.07 -4.95 117.00 111.47 1pn4 n LEU 62 Ca -0.02 -0.28 -0.32 0.00 -0.03 0.00 0.00 56.01 55.36 1pn4 n LEU 62 Cb 0.17 -0.12 -0.05 0.00 -2.33 0.00 0.00 43.42 41.10 1pn4 n LEU 62 CO 0.26 0.20 -0.16 -0.76 -1.33 0.00 0.00 177.39 175.59 1pn4 s LEU 63 N -2.54 4.31 -0.01 2.23 1.43 -0.74 -4.55 118.68 118.81 1pn4 s LEU 63 Ca 0.23 0.28 0.06 0.00 -1.03 0.00 0.00 54.13 53.67 1pn4 s LEU 63 Cb 0.19 -2.77 -0.03 0.00 0.03 0.00 0.00 46.19 43.61 1pn4 s LEU 63 CO 0.54 0.21 -0.20 -0.13 0.23 0.00 0.00 176.35 177.00 1pn4 s ARG 64 N -2.25 2.21 -1.65 1.70 0.52 0.89 -4.68 118.95 115.69 1pn4 s ARG 64 Ca 0.31 -0.88 0.00 0.00 -0.52 0.00 0.00 55.73 54.64 1pn4 s ARG 64 Cb -0.13 -2.19 0.00 0.00 0.52 0.00 0.00 34.95 33.16 1pn4 s ARG 64 CO 0.23 0.57 0.00 -1.71 0.02 0.00 0.00 175.30 174.42 1pn4 n ASN 65 N 2.13 -5.32 -4.69 0.23 5.15 -1.26 -1.19 115.26 110.32 1pn4 n ASN 65 Ca -0.17 0.07 -0.42 0.00 -0.60 0.00 0.00 54.58 53.46 1pn4 n ASN 65 Cb 0.52 -4.39 -0.03 0.00 -0.53 0.00 0.00 39.78 35.35 1pn4 n ASN 65 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1pn4 s PHE 66 N -2.87 2.83 -0.21 1.20 5.36 -1.26 -4.59 117.98 118.43 1pn4 s PHE 66 Ca 0.00 0.79 0.01 0.00 -0.96 0.00 0.00 56.93 56.77 1pn4 s PHE 66 Cb 0.00 -3.68 0.05 0.00 -0.34 0.00 0.00 43.02 39.04 1pn4 s PHE 66 CO 0.00 -2.54 -0.10 1.21 -1.46 0.00 0.00 175.22 172.32 1pn4 s ASN 67 N 1.91 3.58 0.54 6.13 3.84 -1.26 -5.02 114.94 124.66 1pn4 s ASN 67 Ca 0.64 -0.98 0.23 0.00 0.21 0.00 0.00 52.86 52.97 1pn4 s ASN 67 Cb -0.32 -1.28 1.43 0.00 -0.55 0.00 0.00 41.25 40.53 1pn4 s ASN 67 CO 0.27 -0.16 2.07 -0.65 -2.79 0.00 0.00 177.10 175.85 1pn4 h PRO 68 N 7.94 0.00 -0.46 0.43 0.11 -1.98 -1.45 132.00 136.60 1pn4 h PRO 68 Ca -0.26 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.91 1pn4 h PRO 68 Cb 1.09 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 1pn4 h PRO 68 CO 0.47 0.00 0.31 1.98 -0.21 0.00 0.00 178.00 180.55 1pn4 h MET 69 N 0.00 0.34 -0.40 1.05 1.85 -1.98 -2.59 114.93 113.19 1pn4 h MET 69 Ca 0.13 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.20 1pn4 h MET 69 Cb 0.55 -0.08 0.00 0.00 0.43 0.00 0.00 31.60 32.50 1pn4 h MET 69 CO -0.00 0.22 0.00 1.28 -0.40 0.00 0.00 176.91 178.01 1pn4 n LEU 70 N -4.47 2.61 -4.77 3.39 4.77 -0.55 -4.71 117.00 113.28 1pn4 n LEU 70 Ca 0.06 -1.23 -0.39 0.00 -0.03 0.00 0.00 56.01 54.42 1pn4 n LEU 70 Cb 0.27 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 41.04 1pn4 n LEU 70 CO 0.35 0.61 0.54 -0.22 -1.33 0.00 0.00 177.39 177.34 1pn4 s LEU 71 N -1.23 4.60 0.02 2.23 0.20 -0.98 -1.44 118.68 122.07 1pn4 s LEU 71 Ca 0.35 1.75 0.04 0.00 0.69 0.00 0.00 54.13 56.95 1pn4 s LEU 71 Cb 0.19 -3.44 -0.02 0.00 -0.43 0.00 0.00 46.19 42.49 1pn4 s LEU 71 CO 0.26 0.18 -0.12 -0.76 -0.29 0.00 0.00 176.35 175.62 1pn4 s LEU 72 N -1.22 2.12 -0.11 -0.68 1.43 -0.26 -5.00 118.68 114.96 1pn4 s LEU 72 Ca 0.38 -0.36 -0.29 0.00 -1.03 0.00 0.00 54.13 52.83 1pn4 s LEU 72 Cb -0.24 -0.51 -0.04 0.00 0.03 0.00 0.00 46.19 45.43 1pn4 s LEU 72 CO 0.28 0.04 1.54 -2.28 0.23 0.00 0.00 176.35 176.16 1pn4 s HIS 73 N -0.67 2.24 -0.26 0.29 5.65 -1.26 -1.75 115.29 119.54 1pn4 s HIS 73 Ca 0.01 0.48 -0.16 0.00 0.25 0.00 0.00 55.06 55.64 1pn4 s HIS 73 Cb -0.06 -3.81 -0.13 0.00 -1.18 0.00 0.00 32.58 27.40 1pn4 s HIS 73 CO 0.01 -3.10 -0.25 0.41 -0.65 0.00 0.00 174.74 171.16 1pn4 n GLY 74 N 4.08 -0.54 3.19 1.59 0.00 -0.00 -4.71 105.19 108.79 1pn4 n GLY 74 Ca 0.17 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.51 0.88 -0.14 1.61 2.02 -0.76 -0.73 118.70 119.07 1pn4 s GLU 75 Ca -0.36 -1.21 -0.11 0.00 0.02 0.00 0.00 54.97 53.32 1pn4 s GLU 75 Cb 0.12 0.29 0.04 0.00 0.10 0.00 0.00 34.13 34.69 1pn4 s GLU 75 CO 0.50 -0.26 0.36 -1.58 0.02 0.00 0.00 175.26 174.30 1pn4 s HIS 76 N -3.95 -0.45 -0.07 1.61 2.46 -0.86 -1.42 115.29 112.61 1pn4 s HIS 76 Ca 0.14 1.04 0.04 0.00 0.47 0.00 0.00 55.06 56.74 1pn4 s HIS 76 Cb 0.06 0.16 0.00 0.00 -0.13 0.00 0.00 32.58 32.68 1pn4 s HIS 76 CO -0.05 -0.24 -0.18 -0.47 -2.47 0.00 0.00 174.74 171.34 1pn4 s TYR 77 N 0.67 1.90 -0.04 3.88 5.04 -0.54 -1.95 117.35 126.31 1pn4 s TYR 77 Ca -0.04 -0.68 0.01 0.00 -2.44 0.00 0.00 57.07 53.92 1pn4 s TYR 77 Cb -0.05 -1.31 0.02 0.00 0.35 0.00 0.00 41.96 40.98 1pn4 s TYR 77 CO -0.04 -0.28 -0.03 -1.17 -1.34 0.00 0.00 175.55 172.68 1pn4 s LEU 78 N 0.35 1.30 -0.06 6.97 2.96 0.05 -1.70 118.68 128.56 1pn4 s LEU 78 Ca -0.12 -0.08 0.04 0.00 -0.22 0.00 0.00 54.13 53.75 1pn4 s LEU 78 Cb -0.15 -0.34 -0.02 0.00 0.50 0.00 0.00 46.19 46.17 1pn4 s LEU 78 CO 0.05 -0.07 -0.19 -0.75 -1.32 0.00 0.00 176.35 174.07 1pn4 s LYS 79 N 0.89 2.59 -0.30 1.98 2.20 -0.58 -1.26 119.74 125.27 1pn4 s LYS 79 Ca -0.11 -0.79 -0.09 0.00 -0.36 0.00 0.00 55.97 54.62 1pn4 s LYS 79 Cb -0.14 -2.30 -0.01 0.00 -1.51 0.00 0.00 37.83 33.87 1pn4 s LYS 79 CO -0.01 0.48 0.13 0.08 -0.36 0.00 0.00 175.35 175.68 1pn4 s VAL 80 N -0.38 4.55 -0.13 4.02 1.01 0.71 -1.65 120.40 128.52 1pn4 s VAL 80 Ca 0.03 -0.35 0.21 0.00 0.00 0.00 0.00 61.98 61.87 1pn4 s VAL 80 Cb -0.12 -3.27 -0.18 0.00 0.00 0.00 0.00 36.38 32.81 1pn4 s VAL 80 CO 0.02 0.13 0.71 1.41 0.00 0.00 0.00 175.10 177.38 1pn4 n HIS 81 N 4.97 0.51 -4.00 5.22 -0.00 -0.56 -4.82 115.22 116.53 1pn4 n HIS 81 Ca -0.14 0.15 -0.31 0.00 -0.00 0.00 0.00 57.72 57.42 1pn4 n HIS 81 Cb 0.50 -0.79 -0.16 0.00 -0.00 0.00 0.00 29.99 29.53 1pn4 n HIS 81 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1pn4 s SER 82 N -5.08 3.48 -0.11 0.41 0.15 -1.23 -4.99 113.70 106.33 1pn4 s SER 82 Ca -0.05 -0.93 0.01 0.00 0.70 0.00 0.00 55.95 55.69 1pn4 s SER 82 Cb 0.11 -1.26 -0.02 0.00 -1.71 0.00 0.00 66.02 63.14 1pn4 s SER 82 CO 0.84 -0.15 -0.14 0.86 1.20 0.00 0.00 173.24 175.86 1pn4 s TRP 83 N 1.37 2.76 0.65 3.44 -0.11 -1.26 -3.33 118.94 122.47 1pn4 s TRP 83 Ca -0.02 -0.53 -0.09 0.00 1.22 0.00 0.00 56.10 56.68 1pn4 s TRP 83 Cb -0.16 -1.78 0.01 0.00 -1.50 0.00 0.00 33.47 30.04 1pn4 s TRP 83 CO -0.08 -0.11 1.01 -1.25 -4.62 0.00 0.00 176.95 171.90 1pn4 s PRO 84 N 0.05 2.96 0.35 5.86 0.04 -1.26 -5.10 135.00 137.90 1pn4 s PRO 84 Ca -0.05 0.31 -0.29 0.00 0.04 0.00 0.00 61.00 61.01 1pn4 s PRO 84 Cb -0.15 -2.13 -0.11 0.00 0.04 0.00 0.00 34.50 32.16 1pn4 s PRO 84 CO 0.04 -0.85 1.53 -0.35 0.04 0.00 0.00 177.00 177.41 1pn4 n PRO 85 N -2.81 2.70 -2.22 0.56 -0.04 -1.21 -4.94 135.00 127.04 1pn4 n PRO 85 Ca 0.06 0.95 -0.40 0.00 -0.04 0.00 0.00 63.50 64.07 1pn4 n PRO 85 Cb 0.57 -2.70 -0.02 0.00 -0.04 0.00 0.00 33.50 31.31 1pn4 n PRO 85 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1pn4 s PRO 86 N -1.61 4.26 0.00 0.54 0.04 -1.26 -4.73 135.00 132.24 1pn4 s PRO 86 Ca 0.56 2.03 0.25 0.00 0.04 0.00 0.00 61.00 63.88 1pn4 s PRO 86 Cb -0.48 -2.93 0.45 0.00 0.04 0.00 0.00 34.50 31.58 1pn4 s PRO 86 CO 0.59 -0.20 1.39 0.25 0.04 0.00 0.00 177.00 179.07 1pn4 n THR 87 N 0.56 0.00 -3.64 1.26 -2.24 -1.26 -4.92 114.28 104.04 1pn4 n THR 87 Ca 0.02 -0.30 -0.12 0.00 -2.27 0.00 0.00 64.05 61.37 1pn4 n THR 87 Cb 0.44 0.98 -0.06 0.00 -2.10 0.00 0.00 70.33 69.59 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 -2.23 0.98 0.00 -0.78 -1.05 -1.26 -2.84 118.70 111.52 1pn4 s GLU 88 Ca 0.27 -0.42 0.00 0.00 -0.15 0.00 0.00 54.97 54.67 1pn4 s GLU 88 Cb 0.20 0.44 0.00 0.00 -0.44 0.00 0.00 34.13 34.32 1pn4 s GLU 88 CO 0.42 -0.35 0.00 0.41 0.95 0.00 0.00 175.26 176.69 1pn4 n GLY 89 N 0.31 0.96 2.93 -3.83 0.00 -0.55 -4.98 105.19 100.03 1pn4 n GLY 89 Ca -0.18 -1.87 -0.21 0.00 0.00 0.00 0.00 46.02 43.76 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 1.03 -0.09 1.61 2.02 -1.26 -1.49 118.70 118.52 1pn4 s GLU 90 Ca 0.00 -0.19 0.02 0.00 0.02 0.00 0.00 54.97 54.82 1pn4 s GLU 90 Cb 0.00 -0.96 0.01 0.00 0.10 0.00 0.00 34.13 33.28 1pn4 s GLU 90 CO 0.00 -0.04 -0.14 0.42 0.02 0.00 0.00 175.26 175.52 1pn4 s ILE 91 N 0.80 1.32 -0.18 -1.63 1.01 -0.31 -1.16 121.20 121.06 1pn4 s ILE 91 Ca -0.12 -0.56 -0.12 0.00 0.00 0.00 0.00 60.65 59.85 1pn4 s ILE 91 Cb -0.14 -1.22 -0.05 0.00 0.01 0.00 0.00 42.46 41.06 1pn4 s ILE 91 CO 0.01 0.40 0.22 -0.75 0.00 0.00 0.00 174.94 174.83 1pn4 s LYS 92 N 0.88 4.22 -0.02 2.79 2.20 -0.43 -0.50 119.74 128.89 1pn4 s LYS 92 Ca -0.10 -0.04 0.07 0.00 -0.36 0.00 0.00 55.97 55.55 1pn4 s LYS 92 Cb -0.15 -3.42 -0.02 0.00 -1.51 0.00 0.00 37.83 32.73 1pn4 s LYS 92 CO 0.01 0.27 -0.23 0.99 -0.36 0.00 0.00 175.35 176.02 1pn4 s THR 93 N 0.41 1.85 0.04 3.43 2.01 -1.05 -0.67 115.64 121.66 1pn4 s THR 93 Ca 0.13 -1.01 0.07 0.00 0.31 0.00 0.00 61.69 61.19 1pn4 s THR 93 Cb -0.12 -1.54 -0.02 0.00 0.01 0.00 0.00 72.50 70.83 1pn4 s THR 93 CO 0.01 0.52 -0.20 0.42 -0.69 0.00 0.00 174.62 174.68 1pn4 s THR 94 N -0.56 1.63 0.13 -0.82 -4.23 -0.56 -4.88 115.64 106.35 1pn4 s THR 94 Ca 0.09 -1.17 0.11 0.00 -1.18 0.00 0.00 61.69 59.54 1pn4 s THR 94 Cb -0.09 -1.41 -0.04 0.00 1.34 0.00 0.00 72.50 72.30 1pn4 s THR 94 CO -0.01 0.20 -0.26 -0.36 -0.54 0.00 0.00 174.62 173.66 1pn4 s PHE 95 N -0.79 2.34 0.00 3.99 0.40 -1.26 -1.42 117.98 121.25 1pn4 s PHE 95 Ca 0.07 -0.36 -0.09 0.00 -0.60 0.00 0.00 56.93 55.95 1pn4 s PHE 95 Cb -0.09 -1.27 0.00 0.00 0.51 0.00 0.00 43.02 42.18 1pn4 s PHE 95 CO 0.02 0.34 0.17 -1.21 0.70 0.00 0.00 175.22 175.23 1pn4 s GLU 96 N -2.04 0.53 0.35 0.44 2.02 0.74 -4.96 118.70 115.77 1pn4 s GLU 96 Ca 0.14 -0.39 -0.26 0.00 0.02 0.00 0.00 54.97 54.48 1pn4 s GLU 96 Cb -0.10 0.22 -0.09 0.00 0.10 0.00 0.00 34.13 34.26 1pn4 s GLU 96 CO 0.06 -0.13 1.02 -1.25 0.02 0.00 0.00 175.26 174.98 1pn4 s PRO 97 N -1.49 4.41 -0.16 0.39 0.04 -1.26 0.84 135.00 137.77 1pn4 s PRO 97 Ca -0.14 1.51 -0.04 0.00 0.04 0.00 0.00 61.00 62.38 1pn4 s PRO 97 Cb -0.07 -2.77 -0.08 0.00 0.04 0.00 0.00 34.50 31.62 1pn4 s PRO 97 CO 0.02 0.08 -0.17 -0.89 0.04 0.00 0.00 177.00 176.07 1pn4 n ILE 98 N 0.42 0.87 -3.55 0.56 5.41 0.19 -4.45 119.36 118.81 1pn4 n ILE 98 Ca 0.03 -0.27 -0.15 0.00 1.00 0.00 0.00 62.75 63.35 1pn4 n ILE 98 Cb 0.49 -1.40 -0.06 0.00 -0.71 0.00 0.00 39.64 37.96 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 -2.30 -1.83 -0.06 -1.39 0.00 -1.10 -0.54 121.76 114.55 1pn4 s ALA 99 Ca -0.21 1.50 0.04 0.00 0.00 0.00 0.00 51.96 53.28 1pn4 s ALA 99 Cb 0.07 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.80 1pn4 s ALA 99 CO 0.31 -0.34 -0.17 0.95 0.00 0.00 0.00 175.76 176.51 1pn4 s THR 100 N -0.93 1.49 -0.12 0.00 -4.23 -0.48 -0.56 115.64 110.82 1pn4 s THR 100 Ca -0.07 -0.72 -0.03 0.00 -1.18 0.00 0.00 61.69 59.70 1pn4 s THR 100 Cb -0.01 -1.31 0.05 0.00 1.34 0.00 0.00 72.50 72.57 1pn4 s THR 100 CO 0.06 0.43 0.06 -0.89 -0.54 0.00 0.00 174.62 173.74 1pn4 s THR 101 N 0.32 0.05 0.15 3.99 2.01 0.11 -1.28 115.64 120.99 1pn4 s THR 101 Ca -0.11 0.02 -0.30 0.00 0.31 0.00 0.00 61.69 61.61 1pn4 s THR 101 Cb -0.15 -0.49 -0.08 0.00 0.01 0.00 0.00 72.50 71.80 1pn4 s THR 101 CO 0.04 -0.04 1.26 -2.16 -0.69 0.00 0.00 174.62 173.03 1pn4 s PRO 102 N 2.09 4.42 -0.42 4.92 0.04 -1.26 -0.61 135.00 144.18 1pn4 s PRO 102 Ca 0.03 1.93 0.03 0.00 0.04 0.00 0.00 61.00 63.04 1pn4 s PRO 102 Cb -0.14 -3.25 0.12 0.00 0.04 0.00 0.00 34.50 31.26 1pn4 s PRO 102 CO -0.06 -0.23 0.16 0.15 0.04 0.00 0.00 177.00 177.05 1pn4 s LYS 103 N 0.32 1.59 4.78 4.56 -0.14 -0.38 -4.92 119.74 125.55 1pn4 s LYS 103 Ca 0.57 -2.12 0.00 0.00 -1.36 0.00 0.00 55.97 53.06 1pn4 s LYS 103 Cb -0.34 -3.06 0.00 0.00 -1.68 0.00 0.00 37.83 32.75 1pn4 s LYS 103 CO 0.34 -1.03 0.00 0.41 -0.76 0.00 0.00 175.35 174.31 1pn4 n GLY 104 N 3.77 3.40 0.10 -3.33 0.00 -1.26 -1.00 105.19 106.87 1pn4 n GLY 104 Ca 0.04 0.15 0.15 0.00 0.00 0.00 0.00 46.02 46.36 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 0.00 -3.42 2.61 -2.24 -1.26 -4.83 114.28 105.14 1pn4 n THR 105 Ca 0.00 -0.05 -0.19 0.00 -2.27 0.00 0.00 64.05 61.54 1pn4 n THR 105 Cb 0.00 -0.26 -0.01 0.00 -2.10 0.00 0.00 70.33 67.97 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 -2.14 5.83 -0.04 3.42 0.01 -0.17 -1.38 114.94 120.48 1pn4 s ASN 106 Ca 0.41 -0.27 0.03 0.00 -0.71 0.00 0.00 52.86 52.32 1pn4 s ASN 106 Cb 0.21 -1.09 0.00 0.00 0.41 0.00 0.00 41.25 40.79 1pn4 s ASN 106 CO 0.39 -0.49 -0.12 -0.69 -1.51 0.00 0.00 177.10 174.68 1pn4 s VAL 107 N -2.23 1.01 -0.25 1.60 1.01 -0.43 -1.25 120.40 119.86 1pn4 s VAL 107 Ca 0.47 -0.47 -0.07 0.00 0.00 0.00 0.00 61.98 61.91 1pn4 s VAL 107 Cb -0.09 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 1pn4 s VAL 107 CO 0.31 0.31 0.05 -0.69 0.00 0.00 0.00 175.10 175.08 1pn4 s VAL 108 N 0.22 4.07 -0.05 2.92 1.01 0.22 -0.31 120.40 128.48 1pn4 s VAL 108 Ca -0.05 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 61.64 1pn4 s VAL 108 Cb -0.10 -2.93 -0.00 0.00 0.00 0.00 0.00 36.38 33.34 1pn4 s VAL 108 CO 0.01 0.30 -0.18 -0.51 0.00 0.00 0.00 175.10 174.73 1pn4 s ILE 109 N 1.57 1.49 -0.18 2.22 2.07 -0.38 0.09 121.20 128.07 1pn4 s ILE 109 Ca 0.06 -0.73 -0.03 0.00 -1.41 0.00 0.00 60.65 58.53 1pn4 s ILE 109 Cb -0.15 -1.28 -0.01 0.00 0.13 0.00 0.00 42.46 41.14 1pn4 s ILE 109 CO 0.02 0.43 -0.07 -0.69 -1.91 0.00 0.00 174.94 172.72 1pn4 s VAL 110 N 0.12 3.38 -0.24 4.00 1.01 0.28 -0.67 120.40 128.29 1pn4 s VAL 110 Ca -0.06 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.42 1pn4 s VAL 110 Cb -0.13 -2.49 0.04 0.00 0.00 0.00 0.00 36.38 33.80 1pn4 s VAL 110 CO 0.03 0.47 -0.12 -2.28 0.00 0.00 0.00 175.10 173.20 1pn4 s HIS 111 N 0.89 3.09 0.20 5.22 2.46 0.12 0.57 115.29 127.83 1pn4 s HIS 111 Ca -0.01 -1.97 -0.05 0.00 0.47 0.00 0.00 55.06 53.49 1pn4 s HIS 111 Cb -0.15 -1.96 -0.06 0.00 -0.13 0.00 0.00 32.58 30.29 1pn4 s HIS 111 CO 0.01 -0.83 0.45 0.20 -2.47 0.00 0.00 174.74 172.10 1pn4 s GLY 112 N 1.20 2.13 -0.06 1.59 0.00 0.25 -1.13 107.32 111.29 1pn4 s GLY 112 Ca -0.03 -0.52 -0.28 0.00 0.00 0.00 0.00 44.72 43.89 1pn4 s GLY 112 CO -0.07 -0.43 0.62 -1.35 0.00 0.00 0.00 173.10 171.88 1pn4 s SER 113 N -2.63 -0.59 -0.06 1.64 1.04 0.13 -0.19 113.70 113.04 1pn4 s SER 113 Ca 0.43 0.68 0.03 0.00 0.48 0.00 0.00 55.95 57.57 1pn4 s SER 113 Cb -0.11 0.58 0.01 0.00 0.10 0.00 0.00 66.02 66.59 1pn4 s SER 113 CO 0.25 -0.55 -0.13 -0.54 0.98 0.00 0.00 173.24 173.25 1pn4 s LYS 114 N -1.07 1.72 -0.20 4.02 1.02 -0.51 -1.51 119.74 123.21 1pn4 s LYS 114 Ca -0.10 -0.46 0.01 0.00 0.02 0.00 0.00 55.97 55.44 1pn4 s LYS 114 Cb -0.01 -1.43 0.04 0.00 -0.52 0.00 0.00 37.83 35.90 1pn4 s LYS 114 CO 0.08 0.08 -0.13 -1.12 -0.92 0.00 0.00 175.35 173.34 1pn4 s SER 115 N 0.51 3.52 0.31 2.83 0.01 -0.27 -1.49 113.70 119.12 1pn4 s SER 115 Ca -0.12 -0.92 0.09 0.00 1.31 0.00 0.00 55.95 56.31 1pn4 s SER 115 Cb -0.15 -1.37 -0.04 0.00 0.21 0.00 0.00 66.02 64.67 1pn4 s SER 115 CO 0.03 -0.11 0.10 0.68 0.41 0.00 0.00 173.24 174.36 1pn4 s VAL 116 N 1.30 3.34 -0.01 3.43 -7.23 0.16 -1.14 120.40 120.25 1pn4 s VAL 116 Ca -0.01 -1.72 -0.30 0.00 -1.81 0.00 0.00 61.98 58.14 1pn4 s VAL 116 Cb -0.16 -2.99 -0.04 0.00 0.56 0.00 0.00 36.38 33.75 1pn4 s VAL 116 CO -0.09 -0.27 1.22 -0.62 -0.31 0.00 0.00 175.10 175.03 1pn4 s ASP 117 N -3.79 7.04 0.30 4.85 -1.08 0.74 -1.31 116.67 123.42 1pn4 s ASP 117 Ca 0.35 1.90 0.06 0.00 -0.52 0.00 0.00 52.55 54.34 1pn4 s ASP 117 Cb -0.05 -2.56 0.49 0.00 -1.46 0.00 0.00 42.92 39.34 1pn4 s ASP 117 CO 0.22 -0.56 1.74 -1.13 0.52 0.00 0.00 175.17 175.96 1pn4 h ASN 118 N 7.28 0.32 0.13 -0.34 -1.24 -1.48 0.77 115.58 121.03 1pn4 h ASN 118 Ca -0.37 -0.12 -0.23 0.00 0.71 0.00 0.00 56.30 56.29 1pn4 h ASN 118 Cb 1.18 -0.09 0.01 0.00 0.73 0.00 0.00 38.32 40.15 1pn4 h ASN 118 CO 0.86 0.63 -0.90 0.50 -1.29 0.00 0.00 177.43 177.23 1pn4 h LYS 119 N 0.27 0.57 0.00 6.67 3.64 -1.92 -3.42 116.57 122.39 1pn4 h LYS 119 Ca 0.04 -0.56 -0.15 0.00 -1.27 0.00 0.00 60.65 58.71 1pn4 h LYS 119 Cb 0.71 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.64 1pn4 h LYS 119 CO 0.05 1.18 -1.67 -1.13 -2.27 0.00 0.00 179.45 175.61 1pn4 n SER 120 N -3.83 2.42 0.00 4.20 3.41 -1.06 -5.01 113.62 113.75 1pn4 n SER 120 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 1pn4 n SER 120 Cb 0.81 0.94 0.00 0.00 -0.26 0.00 0.00 64.21 65.70 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 2.24 0.91 3.70 5.00 0.00 0.24 -5.01 105.19 112.27 1pn4 n GLY 121 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.66 4.24 -0.11 1.61 2.12 -1.26 -4.62 118.70 120.03 1pn4 s GLU 122 Ca 0.00 2.21 -0.29 0.00 0.36 0.00 0.00 54.97 57.25 1pn4 s GLU 122 Cb 0.00 -3.43 -0.05 0.00 0.26 0.00 0.00 34.13 30.91 1pn4 s GLU 122 CO 0.00 -0.61 1.71 -1.17 -0.54 0.00 0.00 175.26 174.65 1pn4 s LEU 123 N 1.95 4.14 -0.25 2.70 2.96 -1.26 -0.18 118.68 128.74 1pn4 s LEU 123 Ca 0.69 2.06 -0.14 0.00 -0.22 0.00 0.00 54.13 56.52 1pn4 s LEU 123 Cb -0.38 -3.53 -0.10 0.00 0.50 0.00 0.00 46.19 42.67 1pn4 s LEU 123 CO 0.30 -1.11 -0.34 -0.38 -1.32 0.00 0.00 176.35 173.50 1pn4 n ILE 124 N 5.93 1.48 -4.15 6.68 2.08 -0.29 -4.06 119.36 127.03 1pn4 n ILE 124 Ca 0.19 -0.25 -0.15 0.00 0.56 0.00 0.00 62.75 63.10 1pn4 n ILE 124 Cb 0.43 -1.98 -0.11 0.00 -0.75 0.00 0.00 39.64 37.24 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 -2.58 0.99 -0.01 1.39 2.02 -0.97 -1.50 117.35 116.68 1pn4 s TYR 125 Ca -0.35 -0.59 0.05 0.00 -0.37 0.00 0.00 57.07 55.81 1pn4 s TYR 125 Cb 0.12 -0.56 -0.01 0.00 -0.40 0.00 0.00 41.96 41.11 1pn4 s TYR 125 CO 0.46 -0.01 -0.16 -1.12 -1.57 0.00 0.00 175.55 173.14 1pn4 s SER 126 N -2.12 1.93 0.08 2.29 0.01 -0.66 -1.11 113.70 114.12 1pn4 s SER 126 Ca 0.01 -0.30 0.06 0.00 1.31 0.00 0.00 55.95 57.03 1pn4 s SER 126 Cb -0.06 -0.22 -0.03 0.00 0.21 0.00 0.00 66.02 65.93 1pn4 s SER 126 CO 0.00 0.20 -0.16 0.20 0.41 0.00 0.00 173.24 173.89 1pn4 s ASN 127 N -0.38 1.96 -0.15 2.44 0.01 -0.57 -1.53 114.94 116.72 1pn4 s ASN 127 Ca 0.06 -0.65 -0.04 0.00 -0.71 0.00 0.00 52.86 51.53 1pn4 s ASN 127 Cb -0.06 -0.08 0.05 0.00 0.41 0.00 0.00 41.25 41.57 1pn4 s ASN 127 CO -0.01 -0.04 0.06 -1.61 -1.51 0.00 0.00 177.10 173.99 1pn4 s GLU 128 N -1.85 0.29 -0.15 -0.60 2.02 -0.69 -0.70 118.70 117.03 1pn4 s GLU 128 Ca 0.01 -0.12 -0.04 0.00 0.02 0.00 0.00 54.97 54.84 1pn4 s GLU 128 Cb -0.10 -1.70 -0.03 0.00 0.10 0.00 0.00 34.13 32.40 1pn4 s GLU 128 CO 0.03 -0.59 -0.01 0.00 0.02 0.00 0.00 175.26 174.71 1pn4 s ALA 129 N 2.04 3.14 -0.22 5.21 0.00 -0.29 -1.47 121.76 130.17 1pn4 s ALA 129 Ca 0.02 -0.80 -0.03 0.00 0.00 0.00 0.00 51.96 51.15 1pn4 s ALA 129 Cb -0.16 -1.62 0.01 0.00 0.00 0.00 0.00 23.12 21.35 1pn4 s ALA 129 CO -0.08 0.27 -0.07 0.99 0.00 0.00 0.00 175.76 176.88 1pn4 s THR 130 N 0.14 3.06 -0.08 0.00 2.01 -0.51 0.11 115.64 120.37 1pn4 s THR 130 Ca 0.01 -0.70 -0.01 0.00 0.31 0.00 0.00 61.69 61.29 1pn4 s THR 130 Cb -0.13 -2.43 -0.03 0.00 0.01 0.00 0.00 72.50 69.92 1pn4 s THR 130 CO 0.02 0.37 -0.01 -0.31 -0.69 0.00 0.00 174.62 174.00 1pn4 s TYR 131 N 1.41 3.11 -0.32 4.92 2.02 0.15 -0.82 117.35 127.82 1pn4 s TYR 131 Ca 0.04 0.14 -0.07 0.00 -0.37 0.00 0.00 57.07 56.81 1pn4 s TYR 131 Cb -0.15 -1.78 0.02 0.00 -0.40 0.00 0.00 41.96 39.66 1pn4 s TYR 131 CO -0.05 0.43 0.11 0.12 -1.57 0.00 0.00 175.55 174.58 1pn4 s PHE 132 N -0.82 3.21 -0.21 2.71 2.19 -0.71 -1.25 117.98 123.08 1pn4 s PHE 132 Ca 0.12 -1.17 -0.01 0.00 0.33 0.00 0.00 56.93 56.20 1pn4 s PHE 132 Cb -0.11 -2.29 0.02 0.00 -1.31 0.00 0.00 43.02 39.32 1pn4 s PHE 132 CO 0.02 -0.65 -0.12 0.42 1.83 0.00 0.00 175.22 176.72 1pn4 s ILE 133 N 1.46 2.64 0.58 3.12 1.01 0.58 -1.10 121.20 129.49 1pn4 s ILE 133 Ca 0.01 -0.87 -0.17 0.00 0.00 0.00 0.00 60.65 59.62 1pn4 s ILE 133 Cb -0.18 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 1pn4 s ILE 133 CO 0.03 0.39 1.06 -0.13 0.00 0.00 0.00 174.94 176.30 1pn4 s ARG 134 N 1.34 3.37 -1.47 2.79 3.00 -0.52 -1.31 118.95 126.15 1pn4 s ARG 134 Ca 0.03 1.27 -0.05 0.00 0.00 0.00 0.00 55.73 56.98 1pn4 s ARG 134 Cb -0.15 -2.04 0.04 0.00 0.00 0.00 0.00 34.95 32.81 1pn4 s ARG 134 CO -0.08 -0.78 0.57 0.09 0.00 0.00 0.00 175.30 175.10 1pn4 n ASN 135 N -1.83 -1.38 -4.17 0.23 4.13 -0.92 -4.81 115.26 106.51 1pn4 n ASN 135 Ca 0.09 -0.97 -0.16 0.00 1.68 0.00 0.00 54.58 55.22 1pn4 n ASN 135 Cb 0.53 -3.17 -0.11 0.00 -1.54 0.00 0.00 39.78 35.48 1pn4 n ASN 135 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1pn4 s GLN 137 N -2.14 1.23 -0.01 0.00 1.11 -0.33 -4.03 119.66 115.50 1pn4 s GLN 137 Ca 0.00 -1.51 -0.29 0.00 0.01 0.00 0.00 55.36 53.57 1pn4 s GLN 137 Cb -0.07 -1.01 0.10 0.00 -1.01 0.00 0.00 33.01 31.02 1pn4 s GLN 137 CO 0.01 0.17 0.96 0.00 0.01 0.00 0.00 175.29 176.44 1pn4 s ALA 138 N -2.88 -1.85 0.76 6.09 0.00 -1.26 -0.07 121.76 122.54 1pn4 s ALA 138 Ca 0.19 0.96 -0.11 0.00 0.00 0.00 0.00 51.96 53.01 1pn4 s ALA 138 Cb -0.01 0.37 0.05 0.00 0.00 0.00 0.00 23.12 23.53 1pn4 s ALA 138 CO 0.05 -0.74 1.09 -0.51 0.00 0.00 0.00 175.76 175.66 1pn4 s ASP 139 N -2.52 4.53 -0.78 0.00 1.11 -1.26 -4.68 116.67 113.07 1pn4 s ASP 139 Ca 0.07 1.85 -0.20 0.00 0.18 0.00 0.00 52.55 54.45 1pn4 s ASP 139 Cb -0.01 -2.52 0.11 0.00 1.07 0.00 0.00 42.92 41.57 1pn4 s ASP 139 CO -0.07 -2.02 0.99 0.21 1.18 0.00 0.00 175.17 175.46 1pn4 s ASN 140 N -3.31 6.41 0.02 0.27 3.84 -1.26 -4.19 114.94 116.72 1pn4 s ASN 140 Ca 0.62 -1.62 0.00 0.00 0.21 0.00 0.00 52.86 52.07 1pn4 s ASN 140 Cb -0.18 -2.38 -0.02 0.00 -0.55 0.00 0.00 41.25 38.13 1pn4 s ASN 140 CO 0.55 -1.18 -0.03 -0.54 -2.79 0.00 0.00 177.10 173.11 1pn4 s LYS 141 N 3.04 0.29 -0.20 0.43 1.02 -0.41 -5.01 119.74 118.91 1pn4 s LYS 141 Ca 0.25 -0.54 -0.02 0.00 0.02 0.00 0.00 55.97 55.68 1pn4 s LYS 141 Cb -0.12 0.06 0.00 0.00 -0.52 0.00 0.00 37.83 37.25 1pn4 s LYS 141 CO -0.00 -0.03 -0.10 0.08 -0.92 0.00 0.00 175.35 174.37 1pn4 s VAL 142 N -1.27 2.89 -0.17 3.17 1.01 -1.26 -1.39 120.40 123.39 1pn4 s VAL 142 Ca -0.13 -0.66 0.18 0.00 0.00 0.00 0.00 61.98 61.37 1pn4 s VAL 142 Cb -0.09 -2.28 -0.26 0.00 0.00 0.00 0.00 36.38 33.75 1pn4 s VAL 142 CO -0.01 0.47 0.14 -1.22 0.00 0.00 0.00 175.10 174.48 1pn4 n TYR 143 N 4.62 0.00 -3.78 5.22 4.01 0.30 -4.99 117.16 122.53 1pn4 n TYR 143 Ca -0.19 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.42 1pn4 n TYR 143 Cb 0.51 -0.91 -0.09 0.00 -0.31 0.00 0.00 39.34 38.54 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 -2.66 -0.69 0.73 -0.72 0.00 -0.99 -4.99 121.76 112.45 1pn4 s ALA 144 Ca -0.10 0.29 -0.15 0.00 0.00 0.00 0.00 51.96 52.00 1pn4 s ALA 144 Cb 0.07 0.02 0.04 0.00 0.00 0.00 0.00 23.12 23.26 1pn4 s ALA 144 CO 0.83 -0.24 1.20 -0.51 0.00 0.00 0.00 175.76 177.04 1pn4 s ASP 145 N -1.19 4.24 0.02 0.00 1.01 -1.26 -4.88 116.67 114.61 1pn4 s ASP 145 Ca -0.12 2.32 0.03 0.00 0.71 0.00 0.00 52.55 55.48 1pn4 s ASP 145 Cb -0.05 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.28 1pn4 s ASP 145 CO 0.03 -2.23 -0.08 -0.13 0.21 0.00 0.00 175.17 172.97 1pn4 s ARG 146 N -3.94 0.59 0.42 8.23 0.52 -1.26 -5.11 118.95 118.39 1pn4 s ARG 146 Ca 0.73 -0.49 -0.26 0.00 -0.52 0.00 0.00 55.73 55.19 1pn4 s ARG 146 Cb -0.28 -0.50 -0.10 0.00 0.52 0.00 0.00 34.95 34.59 1pn4 s ARG 146 CO 0.45 0.12 1.34 -0.35 0.02 0.00 0.00 175.30 176.88 1pn4 n PRO 147 N 2.26 2.10 -0.28 3.54 -0.04 -1.26 -4.89 135.00 136.43 1pn4 n PRO 147 Ca -0.17 0.75 0.09 0.00 -0.04 0.00 0.00 63.50 64.13 1pn4 n PRO 147 Cb 0.56 -2.47 0.24 0.00 -0.04 0.00 0.00 33.50 31.78 1pn4 n PRO 147 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pn4 h ALA 148 N 2.26 1.12 -0.41 0.55 0.00 -2.00 -2.27 119.26 118.50 1pn4 h ALA 148 Ca -0.49 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1pn4 h ALA 148 Cb 1.28 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 1pn4 h ALA 148 CO 0.61 -0.40 0.22 0.35 0.00 0.00 0.00 179.25 180.03 1pn4 h PHE 149 N 0.24 0.54 -0.08 0.00 3.04 -1.96 0.16 116.94 118.87 1pn4 h PHE 149 Ca 0.49 -0.00 -0.15 0.00 3.98 0.00 0.00 57.97 62.29 1pn4 h PHE 149 Cb 0.91 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 39.24 1pn4 h PHE 149 CO -0.27 0.38 -0.60 0.00 -2.02 0.00 0.00 178.31 175.80 1pn4 h ALA 150 N 1.68 0.83 -0.12 2.41 0.00 -1.78 -3.23 119.26 119.05 1pn4 h ALA 150 Ca 0.15 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1pn4 h ALA 150 Cb 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1pn4 h ALA 150 CO -0.02 0.72 0.00 0.25 0.00 0.00 0.00 179.25 180.20 1pn4 n THR 151 N -3.88 0.13 -2.08 0.00 -2.24 -0.52 -4.96 114.28 100.72 1pn4 n THR 151 Ca -0.02 -0.57 -0.38 0.00 -2.27 0.00 0.00 64.05 60.81 1pn4 n THR 151 Cb 0.61 1.33 0.01 0.00 -2.10 0.00 0.00 70.33 70.18 1pn4 n THR 151 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1pn4 s ASN 152 N -1.72 5.88 0.13 3.42 0.02 0.46 -4.95 114.94 118.18 1pn4 s ASN 152 Ca 0.28 2.48 -0.05 0.00 -1.02 0.00 0.00 52.86 54.56 1pn4 s ASN 152 Cb 0.19 -2.62 -0.09 0.00 0.02 0.00 0.00 41.25 38.75 1pn4 s ASN 152 CO 0.28 -1.13 1.31 1.56 0.02 0.00 0.00 177.10 179.14 1pn4 h GLN 153 N 1.90 0.43 -6.57 -0.60 1.08 -1.90 -3.47 115.11 105.97 1pn4 h GLN 153 Ca -0.50 -0.45 -0.51 0.00 -1.45 0.00 0.00 58.65 55.74 1pn4 h GLN 153 Cb 1.26 0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 28.80 1pn4 h GLN 153 CO 0.59 1.11 -0.94 1.19 -0.95 0.00 0.00 178.83 179.83 1pn4 n PHE 154 N -3.76 -1.63 -1.67 2.96 3.72 -1.26 -4.24 117.46 111.58 1pn4 n PHE 154 Ca -0.07 0.51 -0.47 0.00 -0.05 0.00 0.00 57.45 57.37 1pn4 n PHE 154 Cb 0.83 -3.35 -0.04 0.00 -0.94 0.00 0.00 39.48 35.98 1pn4 n PHE 154 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1pn4 n LEU 155 N -4.49 3.11 -4.70 4.37 4.77 -1.26 -3.93 117.00 114.87 1pn4 n LEU 155 Ca -0.21 1.06 -0.42 0.00 -0.03 0.00 0.00 56.01 56.41 1pn4 n LEU 155 Cb 0.64 -1.40 -0.03 0.00 -2.33 0.00 0.00 43.42 40.29 1pn4 n LEU 155 CO 0.74 -0.27 1.34 0.00 -1.33 0.00 0.00 177.39 177.87 1pn4 s ALA 156 N 1.58 3.74 0.64 -1.18 0.00 -1.26 -4.94 121.76 120.33 1pn4 s ALA 156 Ca 0.82 1.32 -0.17 0.00 0.00 0.00 0.00 51.96 53.93 1pn4 s ALA 156 Cb -0.69 -3.69 -0.01 0.00 0.00 0.00 0.00 23.12 18.72 1pn4 s ALA 156 CO 0.41 -1.05 1.18 -1.25 0.00 0.00 0.00 175.76 175.05 1pn4 s PRO 157 N 2.25 2.75 0.34 0.00 0.04 -1.26 -4.92 135.00 134.19 1pn4 s PRO 157 Ca 0.75 1.70 0.07 0.00 0.04 0.00 0.00 61.00 63.55 1pn4 s PRO 157 Cb -0.43 -1.91 0.62 0.00 0.04 0.00 0.00 34.50 32.82 1pn4 s PRO 157 CO 0.33 -1.35 1.83 0.87 0.04 0.00 0.00 177.00 178.72 1pn4 h LYS 158 N 0.42 0.34 -7.21 4.56 1.57 -2.05 -3.44 116.57 110.76 1pn4 h LYS 158 Ca -0.49 -0.10 -0.45 0.00 -1.87 0.00 0.00 60.65 57.74 1pn4 h LYS 158 Cb 1.28 -0.04 0.19 0.00 0.08 0.00 0.00 32.23 33.75 1pn4 h LYS 158 CO 0.54 0.52 0.08 -0.98 -0.57 0.00 0.00 179.45 179.03 1pn4 s ARG 159 N -4.63 -0.38 0.56 3.15 1.70 -1.26 -4.97 118.95 113.11 1pn4 s ARG 159 Ca -0.06 0.81 -0.20 0.00 -0.47 0.00 0.00 55.73 55.81 1pn4 s ARG 159 Cb 0.15 -1.62 -0.05 0.00 -0.57 0.00 0.00 34.95 32.86 1pn4 s ARG 159 CO 0.76 -3.36 1.25 0.00 -1.08 0.00 0.00 175.30 172.87 1pn4 s ALA 160 N -2.62 2.70 0.49 7.88 0.00 -1.26 -4.96 121.76 124.00 1pn4 s ALA 160 Ca 0.67 1.11 -0.24 0.00 0.00 0.00 0.00 51.96 53.51 1pn4 s ALA 160 Cb -0.23 -3.48 -0.07 0.00 0.00 0.00 0.00 23.12 19.34 1pn4 s ALA 160 CO 0.62 -1.16 1.41 -2.14 0.00 0.00 0.00 175.76 174.49 1pn4 s PRO 161 N -3.08 3.43 0.24 0.00 0.02 -1.26 -4.91 135.00 129.45 1pn4 s PRO 161 Ca 0.73 2.38 0.12 0.00 0.02 0.00 0.00 61.00 64.25 1pn4 s PRO 161 Cb -0.34 -2.48 0.19 0.00 0.02 0.00 0.00 34.50 31.89 1pn4 s PRO 161 CO 0.38 -1.01 1.50 -0.44 -0.33 0.00 0.00 177.00 177.11 1pn4 h ASP 162 N 1.93 0.00 -5.00 2.53 3.32 -1.47 -3.46 116.42 114.27 1pn4 h ASP 162 Ca -0.51 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.42 1pn4 h ASP 162 Cb 1.28 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.63 1pn4 h ASP 162 CO 0.59 0.67 -0.32 -0.47 -1.72 0.00 0.00 179.24 178.00 1pn4 s TYR 163 N -3.21 -0.12 -0.18 4.55 5.04 -0.86 -5.03 117.35 117.54 1pn4 s TYR 163 Ca 0.01 0.15 -0.09 0.00 -2.44 0.00 0.00 57.07 54.69 1pn4 s TYR 163 Cb 0.11 0.07 0.06 0.00 0.35 0.00 0.00 41.96 42.54 1pn4 s TYR 163 CO 0.76 -0.38 0.42 -1.14 -1.34 0.00 0.00 175.55 173.87 1pn4 s GLN 164 N -1.49 0.40 -0.11 4.97 0.74 -1.26 -1.15 119.66 121.76 1pn4 s GLN 164 Ca -0.13 0.83 -0.09 0.00 0.05 0.00 0.00 55.36 56.03 1pn4 s GLN 164 Cb -0.05 0.02 0.03 0.00 1.10 0.00 0.00 33.01 34.11 1pn4 s GLN 164 CO 0.03 -0.17 0.29 0.54 -0.55 0.00 0.00 175.29 175.43 1pn4 s VAL 165 N 1.54 -0.01 0.00 1.34 0.11 -0.64 -5.00 120.40 117.73 1pn4 s VAL 165 Ca -0.09 0.04 -0.23 0.00 -2.93 0.00 0.00 61.98 58.77 1pn4 s VAL 165 Cb -0.09 -0.41 -0.05 0.00 -1.53 0.00 0.00 36.38 34.30 1pn4 s VAL 165 CO -0.13 0.02 0.71 -1.81 -3.33 0.00 0.00 175.10 170.55 1pn4 s ASP 166 N 0.50 7.09 -0.28 3.54 1.11 -1.26 -0.42 116.67 126.95 1pn4 s ASP 166 Ca -0.03 1.30 0.01 0.00 0.18 0.00 0.00 52.55 54.01 1pn4 s ASP 166 Cb -0.04 -2.43 0.08 0.00 1.07 0.00 0.00 42.92 41.60 1pn4 s ASP 166 CO -0.03 -0.00 0.02 -0.69 1.18 0.00 0.00 175.17 175.65 1pn4 s VAL 167 N 0.16 1.49 0.25 -1.27 1.01 0.84 -4.98 120.40 117.91 1pn4 s VAL 167 Ca 0.36 -1.52 -0.30 0.00 0.00 0.00 0.00 61.98 60.53 1pn4 s VAL 167 Cb -0.19 -1.95 -0.09 0.00 0.00 0.00 0.00 36.38 34.15 1pn4 s VAL 167 CO 0.20 -0.39 1.10 -2.16 0.00 0.00 0.00 175.10 173.85 1pn4 s PRO 168 N 1.35 4.63 -0.39 2.72 0.04 -1.26 -0.27 135.00 141.82 1pn4 s PRO 168 Ca 0.03 1.77 -0.09 0.00 0.04 0.00 0.00 61.00 62.75 1pn4 s PRO 168 Cb -0.18 -3.22 0.06 0.00 0.04 0.00 0.00 34.50 31.19 1pn4 s PRO 168 CO -0.12 0.18 0.21 0.08 0.04 0.00 0.00 177.00 177.39 1pn4 s VAL 169 N -0.87 4.21 0.33 -0.36 1.01 0.32 -4.90 120.40 120.14 1pn4 s VAL 169 Ca 0.46 -1.20 -0.27 0.00 0.00 0.00 0.00 61.98 60.97 1pn4 s VAL 169 Cb -0.31 -3.48 -0.13 0.00 0.00 0.00 0.00 36.38 32.47 1pn4 s VAL 169 CO 0.39 -0.36 1.12 -0.24 0.00 0.00 0.00 175.10 176.01 1pn4 n SER 170 N 4.91 1.88 0.31 3.32 2.88 -1.26 -0.46 113.62 125.21 1pn4 n SER 170 Ca -0.11 1.16 0.18 0.00 -1.33 0.00 0.00 58.87 58.77 1pn4 n SER 170 Cb 0.44 -1.38 1.01 0.00 -0.75 0.00 0.00 64.21 63.53 1pn4 n SER 170 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1pn4 h GLU 171 N 2.13 0.00 -0.27 -1.46 4.81 -1.87 -1.51 114.58 116.40 1pn4 h GLU 171 Ca -0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1pn4 h GLU 171 Cb 1.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.70 1pn4 h GLU 171 CO 0.61 0.01 0.00 -0.25 -0.73 0.00 0.00 179.01 178.64 1pn4 n ASP 172 N -3.59 2.80 -0.21 1.04 8.00 -1.26 -4.62 116.55 118.72 1pn4 n ASP 172 Ca -0.03 -1.90 0.01 0.00 0.71 0.00 0.00 54.79 53.58 1pn4 n ASP 172 Cb 0.09 -0.17 0.25 0.00 -0.02 0.00 0.00 41.12 41.27 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 3.75 0.85 -1.07 0.64 5.85 -1.62 -2.50 115.31 121.19 1pn4 h LEU 173 Ca 0.00 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.77 1pn4 h LEU 173 Cb 0.82 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.57 1pn4 h LEU 173 CO 0.00 0.62 0.62 0.00 -0.34 0.00 0.00 178.44 179.34 1pn4 h ALA 174 N 1.53 1.47 -0.07 1.25 0.00 -1.82 -0.40 119.26 121.22 1pn4 h ALA 174 Ca 0.27 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1pn4 h ALA 174 Cb -0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1pn4 h ALA 174 CO -0.06 0.37 -0.24 0.00 0.00 0.00 0.00 179.25 179.32 1pn4 h ALA 175 N 1.49 1.47 0.00 0.00 0.00 -1.75 -1.94 119.26 118.53 1pn4 h ALA 175 Ca 0.42 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 1pn4 h ALA 175 Cb 0.23 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1pn4 h ALA 175 CO -0.17 0.38 -0.64 1.25 0.00 0.00 0.00 179.25 180.07 1pn4 h LEU 176 N 0.10 0.00 -0.71 0.00 5.85 -1.49 -3.39 115.31 115.67 1pn4 h LEU 176 Ca 0.02 -0.60 0.14 0.00 0.84 0.00 0.00 57.88 58.27 1pn4 h LEU 176 Cb 0.49 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.43 1pn4 h LEU 176 CO 0.03 1.17 0.23 0.22 -0.34 0.00 0.00 178.44 179.76 1pn4 h TYR 177 N -1.00 0.38 0.00 1.25 3.20 -1.05 -1.99 116.97 117.77 1pn4 h TYR 177 Ca -0.16 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.74 1pn4 h TYR 177 Cb 1.03 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.23 1pn4 h TYR 177 CO 0.13 0.01 0.00 0.07 -1.64 0.00 0.00 178.16 176.73 1pn4 h ARG 178 N 0.36 0.00 0.00 1.82 0.11 -1.54 -0.34 114.38 114.79 1pn4 h ARG 178 Ca 0.39 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.47 1pn4 h ARG 178 Cb 0.60 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.68 1pn4 h ARG 178 CO -0.42 0.00 0.00 -0.07 0.10 0.00 0.00 179.97 179.58 1pn4 h LEU 179 N 0.00 0.00 -0.24 0.08 3.38 -1.54 -1.67 115.31 115.32 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 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 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 -2.95 0.28 0.00 -0.43 7.64 -0.14 -4.87 113.62 113.16 1pn4 n SER 180 Ca -0.01 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.43 1pn4 n SER 180 Cb 0.16 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 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 0.20 2.84 3.55 0.23 0.00 -0.63 -4.97 105.19 106.41 1pn4 n GLY 181 Ca 0.03 -0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 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 6.09 0.00 1.61 -1.08 -1.18 -4.84 116.67 117.27 1pn4 s ASP 182 Ca 0.00 -0.57 0.29 0.00 -0.52 0.00 0.00 52.55 51.75 1pn4 s ASP 182 Cb 0.00 -2.56 1.19 0.00 -1.46 0.00 0.00 42.92 40.09 1pn4 s ASP 182 CO 0.00 -1.87 1.82 0.54 0.52 0.00 0.00 175.17 176.18 1pn4 n ARG 183 N 9.24 1.54 -1.52 4.34 5.12 -1.26 -4.55 116.66 129.56 1pn4 n ARG 183 Ca 0.13 -0.80 -0.59 0.00 -1.93 0.00 0.00 57.85 54.65 1pn4 n ARG 183 Cb 0.50 -1.48 -0.09 0.00 -1.16 0.00 0.00 32.46 30.23 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 -0.03 0.83 0.18 0.55 2.85 -1.26 -4.83 115.26 113.55 1pn4 n ASN 184 Ca 0.20 1.07 0.13 0.00 -0.11 0.00 0.00 54.58 55.86 1pn4 n ASN 184 Cb 0.31 -0.80 0.63 0.00 1.24 0.00 0.00 39.78 41.16 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 4.08 0.00 -0.99 1.20 0.11 -1.96 -3.19 132.00 131.24 1pn4 h PRO 185 Ca -0.41 0.00 0.23 0.00 0.11 0.00 0.00 66.00 65.92 1pn4 h PRO 185 Cb 1.25 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.26 1pn4 h PRO 185 CO 0.81 0.00 0.63 1.25 -0.21 0.00 0.00 178.00 180.48 1pn4 h LEU 186 N 0.00 0.55 -0.80 2.35 5.85 -1.88 0.05 115.31 121.44 1pn4 h LEU 186 Ca 0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1pn4 h LEU 186 Cb 0.17 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1pn4 h LEU 186 CO 0.00 0.17 -0.29 0.00 -0.34 0.00 0.00 178.44 177.98 1pn4 n GLN 187 N -4.65 1.14 0.00 1.25 3.00 -1.21 -3.49 117.38 113.42 1pn4 n GLN 187 Ca 0.23 -0.80 0.00 0.00 -0.01 0.00 0.00 57.00 56.42 1pn4 n GLN 187 Cb 0.73 -1.48 0.00 0.00 0.00 0.00 0.00 30.24 29.49 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 -0.23 0.00 -3.40 5.09 0.13 -0.81 -4.63 119.36 115.51 1pn4 n ILE 188 Ca 0.12 0.00 -0.44 0.00 -1.10 0.00 0.00 62.75 61.33 1pn4 n ILE 188 Cb 0.40 -0.30 -0.09 0.00 -0.84 0.00 0.00 39.64 38.82 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 -2.86 6.14 0.54 9.51 -1.08 -0.06 -4.93 116.67 123.93 1pn4 s ASP 189 Ca 0.00 -1.05 0.21 0.00 -0.52 0.00 0.00 52.55 51.19 1pn4 s ASP 189 Cb 0.00 -2.19 1.41 0.00 -1.46 0.00 0.00 42.92 40.69 1pn4 s ASP 189 CO 0.00 -0.57 2.14 -0.65 0.52 0.00 0.00 175.17 176.61 1pn4 h PRO 190 N 8.71 0.00 -0.04 4.34 0.11 -1.91 0.04 132.00 143.26 1pn4 h PRO 190 Ca -0.28 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.72 1pn4 h PRO 190 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1pn4 h PRO 190 CO 0.81 0.00 -0.50 -0.97 -0.21 0.00 0.00 178.00 177.13 1pn4 h ASN 191 N 0.00 0.11 0.22 -2.05 -1.24 -1.94 -1.43 115.58 109.25 1pn4 h ASN 191 Ca 0.04 -0.05 -0.33 0.00 0.71 0.00 0.00 56.30 56.67 1pn4 h ASN 191 Cb 0.18 -0.03 0.03 0.00 0.73 0.00 0.00 38.32 39.22 1pn4 h ASN 191 CO -0.00 0.60 -1.50 0.15 -1.29 0.00 0.00 177.43 175.39 1pn4 h PHE 192 N 0.08 0.84 -0.68 0.67 3.04 -1.32 -2.92 116.94 116.66 1pn4 h PHE 192 Ca 0.00 -0.61 -0.02 0.00 3.98 0.00 0.00 57.97 61.32 1pn4 h PHE 192 Cb 0.92 -0.03 -0.03 0.00 2.56 0.00 0.00 35.95 39.36 1pn4 h PHE 192 CO 0.01 1.58 0.35 0.00 -2.02 0.00 0.00 178.31 178.23 1pn4 h ALA 193 N 0.12 1.35 -0.93 2.41 0.00 -1.38 -1.48 119.26 119.35 1pn4 h ALA 193 Ca -0.28 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.52 1pn4 h ALA 193 Cb 2.08 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 19.55 1pn4 h ALA 193 CO 0.22 0.52 0.61 -0.22 0.00 0.00 0.00 179.25 180.39 1pn4 h LYS 194 N 0.95 1.22 0.00 0.00 3.64 -1.25 -1.35 116.57 119.78 1pn4 h LYS 194 Ca 0.24 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 1pn4 h LYS 194 Cb 0.05 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 31.59 1pn4 h LYS 194 CO -0.04 0.81 -0.13 0.78 -2.27 0.00 0.00 179.45 178.61 1pn4 h GLY 195 N 1.26 0.00 -0.45 5.01 0.00 -1.09 -1.55 103.07 106.25 1pn4 h GLY 195 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1pn4 h GLY 195 CO -0.07 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.47 1pn4 n ALA 196 N -2.48 2.53 -1.94 3.60 0.00 -0.59 -4.93 120.51 116.70 1pn4 n ALA 196 Ca -0.03 -0.38 -0.07 0.00 0.00 0.00 0.00 53.44 52.96 1pn4 n ALA 196 Cb 0.21 -1.12 -0.01 0.00 0.00 0.00 0.00 19.45 18.53 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 -0.01 -0.57 -4.67 0.00 4.76 -0.58 -5.03 118.16 112.05 1pn4 n LYS 197 Ca 0.13 0.44 -0.33 0.00 -2.87 0.00 0.00 58.31 55.68 1pn4 n LYS 197 Cb 0.22 -4.33 -0.12 0.00 -1.84 0.00 0.00 35.03 28.96 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 -2.35 2.88 -0.64 2.13 0.08 -0.70 -5.01 117.98 114.37 1pn4 s PHE 198 Ca 0.00 -0.23 0.23 0.00 0.12 0.00 0.00 56.93 57.05 1pn4 s PHE 198 Cb 0.00 -1.77 0.90 0.00 -0.57 0.00 0.00 43.02 41.58 1pn4 s PHE 198 CO 0.00 0.11 1.69 -0.35 -0.10 0.00 0.00 175.22 176.57 1pn4 n PRO 199 N 2.79 0.16 -3.46 0.24 -0.04 -1.26 -3.50 135.00 129.93 1pn4 n PRO 199 Ca -0.18 0.33 -0.11 0.00 -0.04 0.00 0.00 63.50 63.50 1pn4 n PRO 199 Cb 0.53 -1.78 -0.02 0.00 -0.04 0.00 0.00 33.50 32.19 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 -3.21 1.23 0.28 0.54 -2.85 -1.26 -4.99 119.74 109.48 1pn4 s LYS 200 Ca 0.06 -0.47 -0.30 0.00 -1.00 0.00 0.00 55.97 54.26 1pn4 s LYS 200 Cb 0.10 0.56 -0.13 0.00 -2.06 0.00 0.00 37.83 36.30 1pn4 s LYS 200 CO 0.41 -0.54 1.38 -2.30 0.10 0.00 0.00 175.35 174.40 1pn4 n PRO 201 N -0.36 2.11 -2.65 1.78 -0.02 -1.26 -4.93 135.00 129.66 1pn4 n PRO 201 Ca -0.15 0.75 -0.25 0.00 -2.02 0.00 0.00 63.50 61.83 1pn4 n PRO 201 Cb 0.64 -2.39 0.02 0.00 -0.02 0.00 0.00 33.50 31.76 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 -0.39 3.70 0.23 4.25 -4.36 -1.23 -4.36 121.20 119.04 1pn4 s ILE 202 Ca 0.64 -0.25 -0.26 0.00 -0.26 0.00 0.00 60.65 60.51 1pn4 s ILE 202 Cb -0.61 -3.42 -0.09 0.00 1.25 0.00 0.00 42.46 39.59 1pn4 s ILE 202 CO 0.54 -0.37 0.86 -0.22 0.24 0.00 0.00 174.94 175.98 1pn4 s LEU 203 N -4.80 4.53 0.01 0.37 2.96 0.34 -4.29 118.68 117.80 1pn4 s LEU 203 Ca 0.52 1.75 -0.36 0.00 -0.22 0.00 0.00 54.13 55.82 1pn4 s LEU 203 Cb -0.10 -3.58 -0.15 0.00 0.50 0.00 0.00 46.19 42.85 1pn4 s LEU 203 CO 0.42 0.11 1.53 1.41 -1.32 0.00 0.00 176.35 178.50 1pn4 n HIS 204 N 1.23 1.88 -0.29 5.38 8.25 -1.26 -4.68 115.22 125.74 1pn4 n HIS 204 Ca -0.02 0.47 0.08 0.00 -0.26 0.00 0.00 57.72 57.98 1pn4 n HIS 204 Cb 0.49 -2.44 0.23 0.00 1.12 0.00 0.00 29.99 29.38 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 5.89 1.34 2.00 -1.41 0.00 -1.95 0.06 103.07 109.00 1pn4 h GLY 205 Ca -0.47 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 46.65 1pn4 h GLY 205 CO 0.86 -0.09 0.00 -0.33 0.00 0.00 0.00 176.54 176.98 1pn4 h MET 206 N 0.54 0.00 0.11 4.80 2.86 -1.98 -2.63 114.93 118.63 1pn4 h MET 206 Ca 0.46 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.96 1pn4 h MET 206 Cb 0.71 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.39 1pn4 h MET 206 CO -0.40 0.00 -0.63 0.00 1.06 0.00 0.00 176.91 176.93 1pn4 h THR 208 N -0.52 0.78 -0.15 0.00 2.02 -1.33 0.33 112.91 114.04 1pn4 h THR 208 Ca -0.11 -0.25 -0.07 0.00 0.77 0.00 0.00 66.41 66.75 1pn4 h THR 208 Cb 1.49 -0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.89 1pn4 h THR 208 CO 0.11 0.13 -0.19 0.22 0.37 0.00 0.00 175.52 176.17 1pn4 h TYR 209 N 0.73 0.48 -0.29 3.16 3.20 -1.55 -0.40 116.97 122.29 1pn4 h TYR 209 Ca 0.50 -0.15 -0.18 0.00 3.14 0.00 0.00 58.73 62.04 1pn4 h TYR 209 Cb 0.81 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.98 1pn4 h TYR 209 CO -0.00 0.81 -0.51 0.78 -1.64 0.00 0.00 178.16 177.59 1pn4 h GLY 210 N 0.01 0.91 0.90 1.82 0.00 -0.72 0.94 103.07 106.94 1pn4 h GLY 210 Ca 0.02 -1.03 -0.00 0.00 0.00 0.00 0.00 47.33 46.32 1pn4 h GLY 210 CO 0.04 0.92 -0.02 1.41 0.00 0.00 0.00 176.54 178.90 1pn4 h LEU 211 N 0.65 -0.04 -0.26 3.11 3.38 -0.38 0.18 115.31 121.96 1pn4 h LEU 211 Ca 0.02 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.92 1pn4 h LEU 211 Cb 1.10 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 1pn4 h LEU 211 CO 0.11 0.07 0.09 0.28 0.09 0.00 0.00 178.44 179.09 1pn4 h SER 212 N -0.15 0.10 -0.54 -0.43 0.02 -1.08 -1.49 113.55 109.99 1pn4 h SER 212 Ca -0.00 0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.00 1pn4 h SER 212 Cb 0.13 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.66 1pn4 h SER 212 CO 0.01 0.09 0.32 0.00 -1.14 0.00 0.00 176.83 176.11 1pn4 h ALA 213 N 1.17 0.69 -0.10 3.77 0.00 -0.57 -0.68 119.26 123.54 1pn4 h ALA 213 Ca 0.12 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1pn4 h ALA 213 Cb 0.08 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1pn4 h ALA 213 CO -0.12 0.03 -0.08 -0.22 0.00 0.00 0.00 179.25 178.86 1pn4 h LYS 214 N 0.63 -0.09 -0.48 0.00 3.11 -0.37 0.57 116.57 119.94 1pn4 h LYS 214 Ca 0.22 0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 58.05 1pn4 h LYS 214 Cb 0.03 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.25 1pn4 h LYS 214 CO -0.10 -0.06 0.25 0.00 -2.81 0.00 0.00 179.45 176.73 1pn4 h ALA 215 N 0.98 1.55 -0.29 5.00 0.00 -0.98 -1.98 119.26 123.54 1pn4 h ALA 215 Ca 0.07 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1pn4 h ALA 215 Cb 0.20 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1pn4 h ALA 215 CO -0.16 0.37 -0.30 -0.07 0.00 0.00 0.00 179.25 179.09 1pn4 h LEU 216 N 0.66 0.77 -1.23 0.00 3.38 -0.48 -3.03 115.31 115.39 1pn4 h LEU 216 Ca 0.17 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 1pn4 h LEU 216 Cb 0.03 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1pn4 h LEU 216 CO -0.03 1.09 0.41 0.40 0.09 0.00 0.00 178.44 180.40 1pn4 h ILE 217 N 0.47 1.20 0.00 1.22 2.04 -0.49 0.26 117.51 122.21 1pn4 h ILE 217 Ca 0.05 -0.44 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 1pn4 h ILE 217 Cb 0.87 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1pn4 h ILE 217 CO 0.07 0.21 -0.12 0.44 0.00 0.00 0.00 178.15 178.75 1pn4 h ASP 218 N 0.95 0.00 0.00 1.72 3.32 -1.25 -1.31 116.42 119.85 1pn4 h ASP 218 Ca 0.25 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.95 1pn4 h ASP 218 Cb -0.03 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.46 1pn4 h ASP 218 CO -0.05 0.12 -2.26 1.17 -1.72 0.00 0.00 179.24 176.51 1pn4 n LYS 219 N -3.50 0.51 -0.00 3.56 3.00 -0.95 -4.79 118.16 115.99 1pn4 n LYS 219 Ca -0.01 0.17 0.07 0.00 -0.00 0.00 0.00 58.31 58.54 1pn4 n LYS 219 Cb 0.27 -1.38 -0.09 0.00 0.00 0.00 0.00 35.03 33.83 1pn4 n LYS 219 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1pn4 n PHE 220 N -3.56 0.00 -1.17 5.64 3.72 0.88 -5.11 117.46 117.87 1pn4 n PHE 220 Ca -0.42 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 56.98 1pn4 n PHE 220 Cb 0.87 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 39.32 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 1.42 -2.29 3.78 1.37 0.00 -0.50 -4.99 105.19 103.99 1pn4 n GLY 221 Ca 0.01 -1.83 -0.36 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.26 3.88 0.10 1.61 -1.94 -1.26 -4.12 119.30 117.31 1pn4 s MET 222 Ca 0.00 1.56 0.08 0.00 -1.71 0.00 0.00 55.69 55.62 1pn4 s MET 222 Cb 0.00 -2.35 -0.03 0.00 2.01 0.00 0.00 34.83 34.46 1pn4 s MET 222 CO 0.00 -0.40 -0.20 -0.59 -0.01 0.00 0.00 175.02 173.82 1pn4 s PHE 223 N -1.71 1.71 -0.69 -0.03 -0.12 -1.26 -1.57 117.98 114.31 1pn4 s PHE 223 Ca 0.63 -0.42 0.07 0.00 -0.05 0.00 0.00 56.93 57.16 1pn4 s PHE 223 Cb -0.23 -0.94 0.14 0.00 -0.63 0.00 0.00 43.02 41.37 1pn4 s PHE 223 CO 0.28 0.18 1.01 0.27 -0.05 0.00 0.00 175.22 176.91 1pn4 n ASN 224 N 1.12 2.23 -3.69 1.98 0.23 -0.58 -4.82 115.26 111.73 1pn4 n ASN 224 Ca -0.20 -1.75 -0.12 0.00 -0.53 0.00 0.00 54.58 51.99 1pn4 n ASN 224 Cb 0.54 -0.09 -0.09 0.00 -2.08 0.00 0.00 39.78 38.05 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 -0.85 0.56 -0.15 -3.83 2.12 -1.24 -0.21 118.70 115.11 1pn4 s GLU 225 Ca 0.12 0.82 -0.15 0.00 0.36 0.00 0.00 54.97 56.12 1pn4 s GLU 225 Cb 0.07 0.18 0.04 0.00 0.26 0.00 0.00 34.13 34.68 1pn4 s GLU 225 CO 0.10 -0.11 0.42 -1.50 -0.54 0.00 0.00 175.26 173.63 1pn4 s ILE 226 N 0.81 0.00 -0.04 -3.70 2.07 -0.39 -0.25 121.20 119.72 1pn4 s ILE 226 Ca -0.04 -0.03 -0.05 0.00 -1.41 0.00 0.00 60.65 59.12 1pn4 s ILE 226 Cb -0.05 -0.60 0.01 0.00 0.13 0.00 0.00 42.46 41.95 1pn4 s ILE 226 CO -0.06 -0.02 0.12 -0.75 -1.91 0.00 0.00 174.94 172.32 1pn4 s LYS 227 N 0.11 0.20 -0.06 3.50 2.36 -0.92 -0.77 119.74 124.16 1pn4 s LYS 227 Ca -0.01 0.05 -0.27 0.00 -2.55 0.00 0.00 55.97 53.19 1pn4 s LYS 227 Cb -0.03 0.09 0.06 0.00 -1.05 0.00 0.00 37.83 36.90 1pn4 s LYS 227 CO 0.01 -0.03 0.61 0.00 1.55 0.00 0.00 175.35 177.48 1pn4 s ALA 228 N -0.22 -1.56 -0.15 3.13 0.00 -0.82 -1.52 121.76 120.61 1pn4 s ALA 228 Ca -0.03 1.18 -0.06 0.00 0.00 0.00 0.00 51.96 53.06 1pn4 s ALA 228 Cb -0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 1pn4 s ALA 228 CO 0.00 -0.34 0.04 0.50 0.00 0.00 0.00 175.76 175.97 1pn4 s ARG 229 N -1.05 3.64 -0.54 0.00 3.52 -0.20 -2.02 118.95 122.29 1pn4 s ARG 229 Ca -0.10 -0.35 -0.21 0.00 -0.13 0.00 0.00 55.73 54.93 1pn4 s ARG 229 Cb -0.01 -3.07 0.05 0.00 -1.56 0.00 0.00 34.95 30.36 1pn4 s ARG 229 CO 0.08 0.44 0.79 -0.06 -0.81 0.00 0.00 175.30 175.74 1pn4 s PHE 230 N -0.11 2.90 -0.45 5.12 0.08 0.09 -1.17 117.98 124.45 1pn4 s PHE 230 Ca 0.06 -0.35 0.13 0.00 0.12 0.00 0.00 56.93 56.89 1pn4 s PHE 230 Cb -0.12 -3.86 -0.15 0.00 -0.57 0.00 0.00 43.02 38.32 1pn4 s PHE 230 CO 0.01 -1.24 0.47 0.25 -0.10 0.00 0.00 175.22 174.61 1pn4 n THR 231 N 5.88 0.00 -3.69 0.64 -2.24 0.55 -4.82 114.28 110.61 1pn4 n THR 231 Ca -0.03 -0.23 -0.14 0.00 -2.27 0.00 0.00 64.05 61.38 1pn4 n THR 231 Cb 0.46 0.80 -0.08 0.00 -2.10 0.00 0.00 70.33 69.41 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 -2.51 -0.35 0.76 3.38 0.00 -0.84 -4.87 107.32 102.89 1pn4 s GLY 232 Ca 0.02 1.09 -0.11 0.00 0.00 0.00 0.00 44.72 45.73 1pn4 s GLY 232 CO 0.52 0.86 1.08 -0.26 0.00 0.00 0.00 173.10 175.31 1pn4 s ILE 233 N -0.42 3.48 0.01 0.90 -4.36 -1.26 -4.43 121.20 115.11 1pn4 s ILE 233 Ca -0.06 0.48 0.03 0.00 -0.26 0.00 0.00 60.65 60.84 1pn4 s ILE 233 Cb -0.03 -3.05 -0.01 0.00 1.25 0.00 0.00 42.46 40.62 1pn4 s ILE 233 CO 0.03 -0.63 -0.09 -0.69 0.24 0.00 0.00 174.94 173.81 1pn4 s VAL 234 N -2.95 0.69 -0.09 8.37 1.01 -1.26 -4.86 120.40 121.30 1pn4 s VAL 234 Ca 0.60 -0.54 -0.00 0.00 0.00 0.00 0.00 61.98 62.04 1pn4 s VAL 234 Cb -0.16 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 1pn4 s VAL 234 CO 0.56 0.08 -0.05 -0.36 0.00 0.00 0.00 175.10 175.32 1pn4 s PHE 235 N -0.44 2.99 0.33 5.22 0.08 -1.26 -0.50 117.98 124.40 1pn4 s PHE 235 Ca 0.01 -0.01 -0.29 0.00 0.12 0.00 0.00 56.93 56.76 1pn4 s PHE 235 Cb -0.05 -1.77 -0.12 0.00 -0.57 0.00 0.00 43.02 40.51 1pn4 s PHE 235 CO 0.00 0.29 1.37 -2.30 -0.10 0.00 0.00 175.22 174.48 1pn4 n PRO 236 N 2.45 2.29 0.00 0.24 -0.02 -1.26 -1.81 135.00 136.89 1pn4 n PRO 236 Ca -0.18 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1pn4 n PRO 236 Cb 0.53 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 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 0.99 1.28 3.90 -1.23 0.00 0.40 -4.64 105.19 105.89 1pn4 n GLY 237 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.90 2.86 -0.24 1.61 2.02 -0.75 -4.70 118.70 118.60 1pn4 s GLU 238 Ca 0.00 0.27 -0.07 0.00 0.02 0.00 0.00 54.97 55.19 1pn4 s GLU 238 Cb 0.00 -2.12 -0.03 0.00 0.10 0.00 0.00 34.13 32.09 1pn4 s GLU 238 CO 0.00 -0.92 0.06 0.99 0.02 0.00 0.00 175.26 175.41 1pn4 s THR 239 N -3.22 4.23 0.36 3.63 2.01 -1.26 -0.52 115.64 120.86 1pn4 s THR 239 Ca 0.57 -0.20 -0.15 0.00 0.31 0.00 0.00 61.69 62.21 1pn4 s THR 239 Cb -0.11 -2.97 -0.09 0.00 0.01 0.00 0.00 72.50 69.35 1pn4 s THR 239 CO 0.49 0.36 0.79 -0.76 -0.69 0.00 0.00 174.62 174.80 1pn4 s LEU 240 N 1.52 3.99 -0.19 4.42 1.43 0.63 -2.19 118.68 128.29 1pn4 s LEU 240 Ca 0.06 1.33 -0.00 0.00 -1.03 0.00 0.00 54.13 54.49 1pn4 s LEU 240 Cb -0.15 -4.16 0.05 0.00 0.03 0.00 0.00 46.19 41.96 1pn4 s LEU 240 CO 0.03 -0.28 -0.05 -0.60 0.23 0.00 0.00 176.35 175.68 1pn4 s ARG 241 N -3.20 1.45 -0.12 1.70 3.52 0.14 -0.11 118.95 122.32 1pn4 s ARG 241 Ca 0.55 -0.66 -0.19 0.00 -0.13 0.00 0.00 55.73 55.29 1pn4 s ARG 241 Cb -0.10 -2.22 -0.04 0.00 -1.56 0.00 0.00 34.95 31.04 1pn4 s ARG 241 CO 0.20 -0.50 0.54 0.08 -0.81 0.00 0.00 175.30 174.81 1pn4 s VAL 242 N 1.57 5.14 -0.09 7.11 1.01 0.44 -0.14 120.40 135.44 1pn4 s VAL 242 Ca -0.01 1.07 0.03 0.00 0.00 0.00 0.00 61.98 63.07 1pn4 s VAL 242 Cb -0.17 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 1pn4 s VAL 242 CO -0.07 0.28 -0.20 -0.76 0.00 0.00 0.00 175.10 174.34 1pn4 s LEU 243 N 0.88 2.33 0.01 3.92 1.02 0.36 -1.62 118.68 125.57 1pn4 s LEU 243 Ca 0.28 -0.45 0.00 0.00 0.02 0.00 0.00 54.13 53.99 1pn4 s LEU 243 Cb -0.16 -1.47 -0.01 0.00 0.02 0.00 0.00 46.19 44.57 1pn4 s LEU 243 CO 0.12 0.20 -0.01 0.00 0.02 0.00 0.00 176.35 176.68 1pn4 s ALA 244 N 0.12 0.04 -0.08 4.21 0.00 -0.30 -1.22 121.76 124.53 1pn4 s ALA 244 Ca -0.10 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.69 1pn4 s ALA 244 Cb -0.16 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.03 1pn4 s ALA 244 CO 0.06 -0.05 -0.07 -1.58 0.00 0.00 0.00 175.76 174.13 1pn4 s TRP 245 N -0.43 1.14 -0.45 0.00 0.51 0.42 -1.08 118.94 119.06 1pn4 s TRP 245 Ca -0.05 -0.45 -0.29 0.00 -2.12 0.00 0.00 56.10 53.19 1pn4 s TRP 245 Cb -0.03 -0.97 0.03 0.00 -0.81 0.00 0.00 33.47 31.68 1pn4 s TRP 245 CO -0.00 -0.34 1.16 0.21 -0.51 0.00 0.00 176.95 177.47 1pn4 s LYS 246 N 1.30 3.76 -0.01 4.98 2.20 -1.26 -0.70 119.74 130.01 1pn4 s LYS 246 Ca -0.04 0.68 0.16 0.00 -0.36 0.00 0.00 55.97 56.41 1pn4 s LYS 246 Cb -0.14 -3.90 -0.22 0.00 -1.51 0.00 0.00 37.83 32.07 1pn4 s LYS 246 CO -0.03 -1.34 0.51 0.39 -0.36 0.00 0.00 175.35 174.53 1pn4 n GLU 247 N 7.74 1.06 -2.24 4.03 -0.58 -0.64 -4.99 120.64 125.02 1pn4 n GLU 247 Ca 0.12 -0.08 -0.03 0.00 -0.42 0.00 0.00 57.16 56.76 1pn4 n GLU 247 Cb 0.49 -1.33 0.01 0.00 -0.57 0.00 0.00 31.44 30.04 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 -1.75 -0.86 0.27 1.62 3.41 -1.14 -4.93 113.62 110.24 1pn4 n SER 248 Ca -0.00 -1.55 0.15 0.00 -0.26 0.00 0.00 58.87 57.20 1pn4 n SER 248 Cb 0.35 1.42 0.72 0.00 -0.26 0.00 0.00 64.21 66.44 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 0.81 0.00 0.04 4.04 3.32 -2.03 -3.29 116.42 119.30 1pn4 h ASP 249 Ca -0.13 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.54 1pn4 h ASP 249 Cb 0.50 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.00 1pn4 h ASP 249 CO 0.17 0.10 -2.33 0.47 -1.72 0.00 0.00 179.24 175.92 1pn4 n ASP 250 N -3.38 2.02 -4.15 6.45 8.00 -1.26 -4.84 116.55 119.39 1pn4 n ASP 250 Ca -0.01 -0.02 -0.30 0.00 0.71 0.00 0.00 54.79 55.17 1pn4 n ASP 250 Cb 0.28 -0.56 -0.17 0.00 -0.02 0.00 0.00 41.12 40.65 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 -2.53 1.83 -0.26 -3.53 2.01 -1.24 0.29 115.64 112.20 1pn4 s THR 251 Ca -0.31 -0.87 -0.05 0.00 0.31 0.00 0.00 61.69 60.77 1pn4 s THR 251 Cb 0.08 -1.61 0.01 0.00 0.01 0.00 0.00 72.50 70.99 1pn4 s THR 251 CO 0.65 0.51 0.01 -0.63 -0.69 0.00 0.00 174.62 174.47 1pn4 s ILE 252 N 0.59 3.51 0.14 1.82 -1.09 -0.24 -1.61 121.20 124.32 1pn4 s ILE 252 Ca -0.14 -0.75 -0.15 0.00 -2.23 0.00 0.00 60.65 57.38 1pn4 s ILE 252 Cb -0.17 -2.76 -0.07 0.00 -1.58 0.00 0.00 42.46 37.88 1pn4 s ILE 252 CO 0.04 0.19 0.56 -0.69 -1.23 0.00 0.00 174.94 173.81 1pn4 s VAL 253 N 1.44 4.83 0.19 2.92 1.01 0.13 -0.72 120.40 130.19 1pn4 s VAL 253 Ca 0.02 0.90 -0.07 0.00 0.00 0.00 0.00 61.98 62.83 1pn4 s VAL 253 Cb -0.16 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 1pn4 s VAL 253 CO -0.01 0.28 0.27 0.72 0.00 0.00 0.00 175.10 176.36 1pn4 s PHE 254 N -1.43 0.60 0.07 5.22 -0.71 -0.45 -0.44 117.98 120.85 1pn4 s PHE 254 Ca 0.37 -0.94 0.01 0.00 -1.04 0.00 0.00 56.93 55.33 1pn4 s PHE 254 Cb -0.16 -0.16 -0.04 0.00 -1.21 0.00 0.00 43.02 41.46 1pn4 s PHE 254 CO 0.19 -0.74 -0.05 -0.65 -1.34 0.00 0.00 175.22 172.63 1pn4 s GLN 255 N -4.03 0.71 -0.20 1.99 -0.21 -0.36 -3.72 119.66 113.83 1pn4 s GLN 255 Ca 0.24 -1.22 0.00 0.00 0.02 0.00 0.00 55.36 54.40 1pn4 s GLN 255 Cb 0.04 -0.05 0.05 0.00 1.00 0.00 0.00 33.01 34.05 1pn4 s GLN 255 CO 0.05 -0.05 -0.07 0.99 -2.12 0.00 0.00 175.29 174.09 1pn4 s THR 256 N -3.46 1.43 0.22 -0.19 2.01 0.22 -0.49 115.64 115.38 1pn4 s THR 256 Ca 0.07 -0.98 0.05 0.00 0.31 0.00 0.00 61.69 61.14 1pn4 s THR 256 Cb 0.04 -1.61 -0.03 0.00 0.01 0.00 0.00 72.50 70.91 1pn4 s THR 256 CO -0.06 0.05 0.35 -1.00 -0.69 0.00 0.00 174.62 173.26 1pn4 s HIS 257 N 1.47 3.45 -0.45 4.92 3.76 0.80 -0.42 115.29 128.83 1pn4 s HIS 257 Ca -0.02 0.00 -0.12 0.00 -0.15 0.00 0.00 55.06 54.77 1pn4 s HIS 257 Cb -0.17 -1.59 0.08 0.00 1.11 0.00 0.00 32.58 32.02 1pn4 s HIS 257 CO -0.07 0.45 0.32 0.08 -0.85 0.00 0.00 174.74 174.67 1pn4 s VAL 258 N -1.94 4.59 0.17 -0.90 1.01 -0.75 0.24 120.40 122.83 1pn4 s VAL 258 Ca 0.34 -1.33 -0.15 0.00 0.00 0.00 0.00 61.98 60.83 1pn4 s VAL 258 Cb -0.09 -3.81 0.08 0.00 0.00 0.00 0.00 36.38 32.55 1pn4 s VAL 258 CO 0.29 -0.57 1.70 0.58 0.00 0.00 0.00 175.10 177.09 1pn4 h VAL 259 N 5.97 0.69 -0.10 2.92 2.07 -1.74 -0.84 116.25 125.22 1pn4 h VAL 259 Ca -0.25 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.26 1pn4 h VAL 259 Cb 1.09 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1pn4 h VAL 259 CO 0.82 0.02 0.08 0.44 0.02 0.00 0.00 177.57 178.96 1pn4 h ASP 260 N 0.11 0.00 0.00 0.57 5.19 -1.94 -3.07 116.42 117.29 1pn4 h ASP 260 Ca 0.21 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.62 1pn4 h ASP 260 Cb 0.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.80 1pn4 h ASP 260 CO -0.34 0.00 0.00 0.54 -3.12 0.00 0.00 179.24 176.32 1pn4 n ARG 261 N -4.22 -0.58 -3.37 3.56 1.74 -1.12 -5.03 116.66 107.63 1pn4 n ARG 261 Ca -0.01 -0.46 -0.24 0.00 -0.77 0.00 0.00 57.85 56.37 1pn4 n ARG 261 Cb 0.20 -0.90 0.05 0.00 -1.02 0.00 0.00 32.46 30.79 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 -0.03 -0.53 3.86 -0.13 0.00 -0.34 -5.01 105.19 103.02 1pn4 n GLY 262 Ca 0.00 0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.24 2.09 -0.26 2.61 -4.23 -1.17 -4.98 115.64 106.47 1pn4 s THR 263 Ca 0.46 -1.48 -0.05 0.00 -1.18 0.00 0.00 61.69 59.44 1pn4 s THR 263 Cb -0.21 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 71.05 1pn4 s THR 263 CO 0.57 0.00 0.03 -0.63 -0.54 0.00 0.00 174.62 174.06 1pn4 s ILE 264 N -2.65 3.74 -0.15 2.99 1.01 -1.26 -1.80 121.20 123.07 1pn4 s ILE 264 Ca 0.40 -0.61 -0.23 0.00 0.00 0.00 0.00 60.65 60.22 1pn4 s ILE 264 Cb -0.01 -2.84 -0.24 0.00 0.01 0.00 0.00 42.46 39.37 1pn4 s ILE 264 CO 0.24 0.22 0.51 0.00 0.00 0.00 0.00 174.94 175.90 1pn4 h ALA 265 N 8.18 0.14 -3.35 9.38 0.00 -0.95 -2.23 119.26 130.42 1pn4 h ALA 265 Ca -0.35 -0.92 -0.65 0.00 0.00 0.00 0.00 54.91 52.99 1pn4 h ALA 265 Cb 1.14 0.40 -0.33 0.00 0.00 0.00 0.00 17.79 19.00 1pn4 h ALA 265 CO 0.60 0.48 -0.87 0.42 0.00 0.00 0.00 179.25 179.88 1pn4 s ILE 266 N -2.34 1.87 0.32 0.00 1.01 -0.27 -0.33 121.20 121.46 1pn4 s ILE 266 Ca -0.23 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 59.55 1pn4 s ILE 266 Cb 0.02 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 1pn4 s ILE 266 CO 0.68 0.52 0.15 0.21 0.00 0.00 0.00 174.94 176.50 1pn4 s ASN 267 N 0.41 1.82 -1.33 3.58 3.84 -0.31 -0.61 114.94 122.34 1pn4 s ASN 267 Ca -0.18 -1.57 -0.02 0.00 0.21 0.00 0.00 52.86 51.30 1pn4 s ASN 267 Cb -0.18 0.38 -0.00 0.00 -0.55 0.00 0.00 41.25 40.90 1pn4 s ASN 267 CO 0.08 -0.88 0.60 0.59 -2.79 0.00 0.00 177.10 174.69 1pn4 n ASN 268 N -1.00 -1.17 -4.15 -4.21 4.13 -1.26 -1.04 115.26 106.55 1pn4 n ASN 268 Ca -0.00 -0.90 -0.17 0.00 1.68 0.00 0.00 54.58 55.18 1pn4 n ASN 268 Cb 0.65 -3.64 -0.12 0.00 -1.54 0.00 0.00 39.78 35.13 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 -3.76 1.06 0.13 5.41 0.00 -1.24 -3.56 121.76 119.79 1pn4 s ALA 269 Ca 0.04 -0.96 -0.18 0.00 0.00 0.00 0.00 51.96 50.85 1pn4 s ALA 269 Cb -0.01 -0.07 0.05 0.00 0.00 0.00 0.00 23.12 23.09 1pn4 s ALA 269 CO 0.84 0.12 0.47 0.00 0.00 0.00 0.00 175.76 177.20 1pn4 s ALA 270 N -1.34 -1.16 0.12 0.00 0.00 -0.58 -1.35 121.76 117.46 1pn4 s ALA 270 Ca -0.03 0.14 0.09 0.00 0.00 0.00 0.00 51.96 52.16 1pn4 s ALA 270 Cb -0.10 0.75 -0.04 0.00 0.00 0.00 0.00 23.12 23.74 1pn4 s ALA 270 CO 0.02 -0.68 -0.23 0.96 0.00 0.00 0.00 175.76 175.83 1pn4 s ILE 271 N -3.75 1.94 -0.32 0.00 -4.36 0.10 -2.16 121.20 112.64 1pn4 s ILE 271 Ca 0.02 -1.66 -0.08 0.00 -0.26 0.00 0.00 60.65 58.67 1pn4 s ILE 271 Cb 0.01 -1.75 0.02 0.00 1.25 0.00 0.00 42.46 41.99 1pn4 s ILE 271 CO -0.12 -0.02 0.12 -0.75 0.24 0.00 0.00 174.94 174.41 1pn4 s LYS 272 N -2.04 2.93 0.48 0.37 2.20 0.66 -1.08 119.74 123.26 1pn4 s LYS 272 Ca 0.10 -0.98 -0.23 0.00 -0.36 0.00 0.00 55.97 54.50 1pn4 s LYS 272 Cb -0.10 -3.48 -0.07 0.00 -1.51 0.00 0.00 37.83 32.67 1pn4 s LYS 272 CO 0.05 -0.55 1.27 -0.51 -0.36 0.00 0.00 175.35 175.25 1pn4 s LEU 273 N 1.49 4.00 0.17 5.43 1.43 0.15 -1.53 118.68 129.82 1pn4 s LEU 273 Ca 0.01 2.56 -0.30 0.00 -1.03 0.00 0.00 54.13 55.37 1pn4 s LEU 273 Cb -0.18 -4.17 -0.08 0.00 0.03 0.00 0.00 46.19 41.79 1pn4 s LEU 273 CO 0.04 -1.14 1.17 -0.69 0.23 0.00 0.00 176.35 175.96 1pn4 s VAL 274 N -1.39 3.68 0.00 -1.59 1.01 -0.61 -4.72 120.40 116.78 1pn4 s VAL 274 Ca 0.65 1.40 0.00 0.00 0.00 0.00 0.00 61.98 64.03 1pn4 s VAL 274 Cb -0.35 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.13 1pn4 s VAL 274 CO 0.43 0.22 0.00 0.61 0.00 0.00 0.00 175.10 176.36 1pn4 n GLY 275 N 2.23 -2.46 0.75 4.51 0.00 -1.26 -4.93 105.19 104.03 1pn4 n GLY 275 Ca 0.04 -1.15 0.09 0.00 0.00 0.00 0.00 46.02 45.00 1pn4 n GLY 275 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54