#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r26 s ARG -6 N 0.00 1.77 0.23 9.51 0.52 -1.26 -5.10 118.95 124.61 1r26 s ARG -6 Ca 0.00 -1.48 -0.32 0.00 -0.52 0.00 0.00 55.73 53.41 1r26 s ARG -6 Cb 0.00 -1.95 -0.13 0.00 0.52 0.00 0.00 34.95 33.39 1r26 s ARG -6 CO 0.00 0.40 1.51 -0.12 0.02 0.00 0.00 175.30 177.10 1r26 n MET -5 N -0.03 2.24 -1.74 3.54 0.00 -1.26 -4.98 117.12 114.88 1r26 n MET -5 Ca -0.10 0.80 -0.30 0.00 -0.00 0.00 0.00 57.70 58.09 1r26 n MET -5 Cb 0.57 -2.52 0.05 0.00 0.00 0.00 0.00 33.22 31.32 1r26 n MET -5 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 175.97 174.99 1r26 s ARG -4 N 0.01 2.79 -0.95 2.12 1.70 -1.26 -4.51 118.95 118.86 1r26 s ARG -4 Ca 0.71 0.64 -0.09 0.00 -0.47 0.00 0.00 55.73 56.52 1r26 s ARG -4 Cb -0.62 -2.00 -0.01 0.00 -0.57 0.00 0.00 34.95 31.75 1r26 s ARG -4 CO 0.45 -1.12 0.75 0.00 -1.08 0.00 0.00 175.30 174.30 1r26 n ALA -3 N -3.10 -2.57 -3.25 7.88 0.00 -1.26 -4.99 120.51 113.22 1r26 n ALA -3 Ca 0.07 -0.11 -0.19 0.00 0.00 0.00 0.00 53.44 53.20 1r26 n ALA -3 Cb 0.56 -3.02 -0.16 0.00 0.00 0.00 0.00 19.45 16.83 1r26 n ALA -3 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1r26 s ARG -2 N -4.66 0.79 0.07 0.00 3.52 -1.26 -5.12 118.95 112.29 1r26 s ARG -2 Ca 0.25 -0.19 -0.31 0.00 -0.13 0.00 0.00 55.73 55.35 1r26 s ARG -2 Cb -0.07 -0.77 -0.07 0.00 -1.56 0.00 0.00 34.95 32.49 1r26 s ARG -2 CO 0.82 0.03 1.34 -0.47 -0.81 0.00 0.00 175.30 176.20 1r26 s TYR -1 N 0.45 3.21 -0.11 5.12 5.04 -1.26 -4.95 117.35 124.85 1r26 s TYR -1 Ca -0.06 1.02 -0.29 0.00 -2.44 0.00 0.00 57.07 55.30 1r26 s TYR -1 Cb -0.10 -3.60 -0.06 0.00 0.35 0.00 0.00 41.96 38.55 1r26 s TYR -1 CO 0.00 -2.08 1.89 -2.14 -1.34 0.00 0.00 175.55 171.88 1r26 s PRO 0 N 1.40 3.82 0.00 4.97 0.02 -1.26 -4.88 135.00 139.06 1r26 s PRO 0 Ca 0.63 2.16 -0.30 0.00 0.02 0.00 0.00 61.00 63.51 1r26 s PRO 0 Cb -0.33 -4.15 0.11 0.00 0.02 0.00 0.00 34.50 30.14 1r26 s PRO 0 CO 0.29 -1.30 1.12 -1.54 -0.33 0.00 0.00 177.00 175.24 1r26 s SER 1 N 5.13 -0.15 0.61 2.53 1.04 -1.26 -4.38 113.70 117.22 1r26 s SER 1 Ca 0.84 -0.17 -0.18 0.00 0.48 0.00 0.00 55.95 56.93 1r26 s SER 1 Cb -0.34 0.28 -0.03 0.00 0.10 0.00 0.00 66.02 66.03 1r26 s SER 1 CO 0.35 -0.50 1.17 0.68 0.98 0.00 0.00 173.24 175.92 1r26 s VAL 2 N -2.76 2.84 -0.20 5.02 -7.23 -1.26 -4.67 120.40 112.13 1r26 s VAL 2 Ca 0.11 0.49 -0.14 0.00 -1.81 0.00 0.00 61.98 60.64 1r26 s VAL 2 Cb 0.01 -3.13 -0.04 0.00 0.56 0.00 0.00 36.38 33.77 1r26 s VAL 2 CO -0.03 -0.15 0.29 -0.69 -0.31 0.00 0.00 175.10 174.21 1r26 s VAL 3 N -1.81 5.28 0.08 1.32 1.01 0.17 -4.96 120.40 121.50 1r26 s VAL 3 Ca 0.74 0.50 -0.28 0.00 0.00 0.00 0.00 61.98 62.94 1r26 s VAL 3 Cb -0.27 -3.63 -0.06 0.00 0.00 0.00 0.00 36.38 32.43 1r26 s VAL 3 CO 0.34 0.33 0.87 -1.81 0.00 0.00 0.00 175.10 174.83 1r26 s ASP 4 N 0.83 7.37 -0.20 3.32 1.01 -1.26 -0.65 116.67 127.09 1r26 s ASP 4 Ca 0.15 1.64 -0.10 0.00 0.71 0.00 0.00 52.55 54.95 1r26 s ASP 4 Cb -0.14 -2.53 -0.05 0.00 1.01 0.00 0.00 42.92 41.21 1r26 s ASP 4 CO 0.05 -0.03 0.12 -0.69 0.21 0.00 0.00 175.17 174.84 1r26 s VAL 5 N -0.03 5.34 0.00 -1.27 1.01 -0.19 -4.90 120.40 120.36 1r26 s VAL 5 Ca 0.43 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.58 1r26 s VAL 5 Cb -0.22 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.73 1r26 s VAL 5 CO 0.27 0.45 0.05 -1.22 0.00 0.00 0.00 175.10 174.64 1r26 n TYR 6 N 3.49 0.00 -3.79 5.22 4.02 -1.26 -4.57 117.16 120.26 1r26 n TYR 6 Ca -0.16 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.63 1r26 n TYR 6 Cb 0.52 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.77 1r26 n TYR 6 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1r26 s SER 7 N -0.64 -0.03 0.28 7.72 1.04 -1.26 -4.99 113.70 115.81 1r26 s SER 7 Ca 0.00 -0.39 -0.04 0.00 0.48 0.00 0.00 55.95 56.00 1r26 s SER 7 Cb 0.00 0.35 0.36 0.00 0.10 0.00 0.00 66.02 66.83 1r26 s SER 7 CO 0.00 -0.67 1.95 0.58 0.98 0.00 0.00 173.24 176.08 1r26 h VAL 8 N 3.00 1.23 -0.14 5.02 2.07 -1.98 -1.24 116.25 124.20 1r26 h VAL 8 Ca -0.33 -0.42 -0.09 0.00 0.82 0.00 0.00 66.70 66.68 1r26 h VAL 8 Cb 1.21 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1r26 h VAL 8 CO 0.50 0.23 -0.25 -0.08 0.02 0.00 0.00 177.57 177.98 1r26 h GLU 9 N 1.24 0.42 -0.76 1.57 4.57 -1.99 -2.35 114.58 117.28 1r26 h GLU 9 Ca 0.34 -0.26 0.08 0.00 -1.18 0.00 0.00 59.36 58.33 1r26 h GLU 9 Cb -0.14 0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 28.42 1r26 h GLU 9 CO -0.07 0.86 0.43 0.37 -1.18 0.00 0.00 179.01 179.41 1r26 h GLN 10 N 0.03 0.73 -0.55 1.92 4.15 -1.93 -1.03 115.11 118.43 1r26 h GLN 10 Ca 0.01 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 1r26 h GLN 10 Cb 0.83 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.33 1r26 h GLN 10 CO 0.06 0.48 0.32 0.35 -1.93 0.00 0.00 178.83 178.10 1r26 h PHE 11 N 0.75 0.73 -0.59 3.99 3.57 -1.16 -0.28 116.94 123.96 1r26 h PHE 11 Ca 0.36 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.83 1r26 h PHE 11 Cb 0.28 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 1r26 h PHE 11 CO -0.07 0.52 0.32 -0.09 -2.23 0.00 0.00 178.31 176.76 1r26 h ARG 12 N 0.73 0.82 -0.61 1.11 2.43 -0.95 -1.25 114.38 116.67 1r26 h ARG 12 Ca 0.19 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 1r26 h ARG 12 Cb 0.01 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 1r26 h ARG 12 CO -0.03 0.63 0.22 -0.91 -1.51 0.00 0.00 179.97 178.36 1r26 h ASN 13 N 0.80 0.86 -0.02 -3.80 2.35 -0.81 -1.75 115.58 113.21 1r26 h ASN 13 Ca 0.21 -0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1r26 h ASN 13 Cb 0.05 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.19 1r26 h ASN 13 CO -0.03 0.82 0.01 0.40 -1.65 0.00 0.00 177.43 176.98 1r26 h ILE 14 N 0.85 1.02 0.00 2.81 2.04 -0.76 -2.96 117.51 120.51 1r26 h ILE 14 Ca 0.20 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 66.01 1r26 h ILE 14 Cb 0.24 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1r26 h ILE 14 CO -0.01 0.02 0.00 0.24 0.00 0.00 0.00 178.15 178.39 1r26 h MET 15 N 0.01 0.00 0.00 2.37 2.86 -1.10 -2.47 114.93 116.61 1r26 h MET 15 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1r26 h MET 15 Cb 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1r26 h MET 15 CO -0.00 0.00 -0.24 0.43 1.06 0.00 0.00 176.91 178.16 1r26 n SER 16 N -2.66 0.71 -4.78 1.22 7.64 -0.67 -0.82 113.62 114.26 1r26 n SER 16 Ca 0.03 0.38 -0.33 0.00 1.01 0.00 0.00 58.87 59.96 1r26 n SER 16 Cb 0.38 -0.40 0.04 0.00 -1.01 0.00 0.00 64.21 63.23 1r26 n SER 16 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1r26 s GLU 17 N -3.11 2.93 -1.53 1.43 2.02 -0.93 -3.99 118.70 115.52 1r26 s GLU 17 Ca 0.09 1.33 -0.09 0.00 0.02 0.00 0.00 54.97 56.33 1r26 s GLU 17 Cb 0.13 -1.97 -0.02 0.00 0.10 0.00 0.00 34.13 32.37 1r26 s GLU 17 CO 0.64 -1.14 2.77 -3.47 0.02 0.00 0.00 175.26 174.08 1r26 n ASP 18 N -2.34 8.49 -3.82 -0.19 2.03 -1.26 -0.61 116.55 118.85 1r26 n ASP 18 Ca 0.10 -2.76 -0.16 0.00 0.52 0.00 0.00 54.79 52.49 1r26 n ASP 18 Cb 0.52 -1.49 -0.16 0.00 -0.72 0.00 0.00 41.12 39.27 1r26 n ASP 18 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1r26 s ILE 19 N 1.07 0.08 0.05 5.18 1.01 -1.26 -4.93 121.20 122.40 1r26 s ILE 19 Ca 0.64 0.10 -0.30 0.00 0.00 0.00 0.00 60.65 61.09 1r26 s ILE 19 Cb 0.18 -0.17 -0.08 0.00 0.01 0.00 0.00 42.46 42.39 1r26 s ILE 19 CO -0.07 0.10 1.81 -0.22 0.00 0.00 0.00 174.94 176.56 1r26 s LEU 20 N 0.83 4.39 -0.01 2.97 2.96 -1.26 -4.49 118.68 124.07 1r26 s LEU 20 Ca -0.08 2.57 0.03 0.00 -0.22 0.00 0.00 54.13 56.43 1r26 s LEU 20 Cb -0.11 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 43.03 1r26 s LEU 20 CO -0.02 -0.98 -0.11 -0.89 -1.32 0.00 0.00 176.35 173.03 1r26 s THR 21 N 3.58 0.89 -0.22 3.68 2.01 -0.20 -1.39 115.64 123.99 1r26 s THR 21 Ca 0.81 -0.46 -0.00 0.00 0.31 0.00 0.00 61.69 62.34 1r26 s THR 21 Cb -0.41 -0.75 0.02 0.00 0.01 0.00 0.00 72.50 71.37 1r26 s THR 21 CO 0.36 0.26 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.73 1r26 s VAL 22 N -0.16 2.51 -0.24 3.82 1.01 0.18 -0.95 120.40 126.57 1r26 s VAL 22 Ca 0.03 -0.98 -0.23 0.00 0.00 0.00 0.00 61.98 60.80 1r26 s VAL 22 Cb -0.05 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 1r26 s VAL 22 CO -0.00 0.36 0.76 0.00 0.00 0.00 0.00 175.10 176.21 1r26 s ALA 23 N 1.31 3.63 -0.38 5.51 0.00 0.40 -0.36 121.76 131.87 1r26 s ALA 23 Ca 0.02 -0.23 -0.06 0.00 0.00 0.00 0.00 51.96 51.69 1r26 s ALA 23 Cb -0.15 -3.19 0.07 0.00 0.00 0.00 0.00 23.12 19.85 1r26 s ALA 23 CO -0.08 -0.87 0.17 -0.46 0.00 0.00 0.00 175.76 174.52 1r26 s TRP 24 N 2.68 3.36 -0.12 0.00 -0.00 0.01 -0.99 118.94 123.88 1r26 s TRP 24 Ca 0.32 -1.75 -0.22 0.00 -0.00 0.00 0.00 56.10 54.45 1r26 s TRP 24 Cb -0.15 -2.71 -0.03 0.00 -0.00 0.00 0.00 33.47 30.58 1r26 s TRP 24 CO 0.08 -0.84 0.64 -0.06 -0.00 0.00 0.00 176.95 176.77 1r26 s PHE 25 N 1.33 3.50 0.28 5.86 0.40 0.07 -0.30 117.98 129.13 1r26 s PHE 25 Ca 0.02 1.09 -0.17 0.00 -0.60 0.00 0.00 56.93 57.27 1r26 s PHE 25 Cb -0.22 -2.76 0.02 0.00 0.51 0.00 0.00 43.02 40.57 1r26 s PHE 25 CO 0.00 0.02 0.64 -0.08 0.70 0.00 0.00 175.22 176.50 1r26 s THR 26 N 1.13 0.00 -0.03 0.64 -1.32 -0.79 -2.30 115.64 112.97 1r26 s THR 26 Ca 0.33 -1.16 -0.19 0.00 -1.21 0.00 0.00 61.69 59.46 1r26 s THR 26 Cb -0.17 -2.20 0.04 0.00 -1.51 0.00 0.00 72.50 68.67 1r26 s THR 26 CO 0.14 0.00 0.42 0.00 -2.21 0.00 0.00 174.62 172.97 1r26 s ALA 27 N -3.73 -1.06 0.20 11.08 0.00 -1.26 -0.66 121.76 126.32 1r26 s ALA 27 Ca 0.16 0.63 -0.06 0.00 0.00 0.00 0.00 51.96 52.69 1r26 s ALA 27 Cb -0.04 0.03 0.14 0.00 0.00 0.00 0.00 23.12 23.25 1r26 s ALA 27 CO 0.09 -0.29 1.61 0.28 0.00 0.00 0.00 175.76 177.45 1r26 h VAL 28 N 3.64 1.27 -1.78 0.00 2.07 -2.01 -3.17 116.25 116.28 1r26 h VAL 28 Ca -0.29 -1.34 -0.73 0.00 0.82 0.00 0.00 66.70 65.16 1r26 h VAL 28 Cb 1.17 1.17 -0.29 0.00 -1.52 0.00 0.00 31.29 31.81 1r26 h VAL 28 CO 0.39 0.45 0.82 0.79 0.02 0.00 0.00 177.57 180.04 1r26 n TRP 29 N -4.11 3.06 -3.91 1.57 8.01 -1.26 -4.87 117.44 115.92 1r26 n TRP 29 Ca 0.00 -2.50 -0.28 0.00 -1.31 0.00 0.00 57.50 53.41 1r26 n TRP 29 Cb 0.44 -1.09 -0.17 0.00 -2.01 0.00 0.00 31.31 28.48 1r26 n TRP 29 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1r26 h GLY 31 N 8.13 -1.07 1.14 0.00 0.00 -1.90 -2.21 103.07 107.16 1r26 h GLY 31 Ca -0.28 0.40 0.08 0.00 0.00 0.00 0.00 47.33 47.53 1r26 h GLY 31 CO 0.42 -0.39 0.39 -2.55 0.00 0.00 0.00 176.54 174.40 1r26 h PRO 32 N -1.04 0.46 -0.63 4.80 0.11 -1.97 -1.68 132.00 132.04 1r26 h PRO 32 Ca -0.11 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.98 1r26 h PRO 32 Cb 0.79 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.77 1r26 h PRO 32 CO 0.17 0.30 0.39 0.00 -0.21 0.00 0.00 178.00 178.66 1r26 h LYS 34 N 0.86 0.79 -0.58 0.00 6.56 -0.71 -3.08 116.57 120.41 1r26 h LYS 34 Ca 0.23 -0.23 0.02 0.00 -1.06 0.00 0.00 60.65 59.61 1r26 h LYS 34 Cb -0.04 -0.08 -0.03 0.00 -0.57 0.00 0.00 32.23 31.51 1r26 h LYS 34 CO -0.04 0.82 0.38 1.79 -2.06 0.00 0.00 179.45 180.34 1r26 h THR 35 N 0.73 1.10 -0.33 -0.16 1.35 -1.16 -2.59 112.91 111.84 1r26 h THR 35 Ca 0.14 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 1r26 h THR 35 Cb 0.50 0.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.25 1r26 h THR 35 CO 0.03 0.13 0.00 2.30 -0.25 0.00 0.00 175.52 177.73 1r26 n ILE 36 N -4.46 0.42 -0.01 6.82 -5.35 -1.17 -4.48 119.36 111.14 1r26 n ILE 36 Ca 0.06 -0.61 -0.09 0.00 -0.27 0.00 0.00 62.75 61.84 1r26 n ILE 36 Cb 0.10 0.72 -0.03 0.00 -1.74 0.00 0.00 39.64 38.70 1r26 n ILE 36 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1r26 h GLU 37 N 3.60 -0.19 -0.21 6.28 5.08 -1.49 -1.08 114.58 126.58 1r26 h GLU 37 Ca 0.00 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1r26 h GLU 37 Cb 0.80 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1r26 h GLU 37 CO 0.00 -0.13 -0.03 0.00 -1.00 0.00 0.00 179.01 177.85 1r26 h ARG 38 N -0.20 0.39 -0.99 2.33 3.08 -1.82 -1.59 114.38 115.58 1r26 h ARG 38 Ca 0.10 -0.14 0.19 0.00 0.07 0.00 0.00 59.98 60.20 1r26 h ARG 38 Cb 0.35 -0.03 -0.10 0.00 0.08 0.00 0.00 29.97 30.28 1r26 h ARG 38 CO -0.27 0.62 0.61 -1.35 -1.07 0.00 0.00 179.97 178.51 1r26 h PRO 39 N 0.12 0.69 -0.34 0.04 0.11 -1.82 -2.06 132.00 128.75 1r26 h PRO 39 Ca 0.05 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.95 1r26 h PRO 39 Cb 0.46 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.41 1r26 h PRO 39 CO 0.02 0.46 -0.45 0.52 -0.21 0.00 0.00 178.00 178.33 1r26 h MET 40 N 0.71 0.88 -0.83 1.05 2.86 -0.87 -1.28 114.93 117.45 1r26 h MET 40 Ca 0.55 -0.50 0.06 0.00 -2.06 0.00 0.00 59.70 57.75 1r26 h MET 40 Cb 0.92 0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.56 1r26 h MET 40 CO -0.32 1.15 0.51 0.93 1.06 0.00 0.00 176.91 180.23 1r26 h GLU 41 N 0.71 0.90 -0.49 1.72 5.08 -0.94 -0.58 114.58 120.97 1r26 h GLU 41 Ca 0.04 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 1r26 h GLU 41 Cb 1.05 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1r26 h GLU 41 CO 0.10 0.60 -0.16 -0.22 -1.00 0.00 0.00 179.01 178.34 1r26 h LYS 42 N 0.93 0.98 -0.65 2.33 3.64 -1.13 -2.26 116.57 120.42 1r26 h LYS 42 Ca 0.37 -0.39 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1r26 h LYS 42 Cb 0.18 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 1r26 h LYS 42 CO -0.18 1.06 0.41 0.82 -2.27 0.00 0.00 179.45 179.29 1r26 h ILE 43 N 0.84 1.18 -0.85 2.00 2.04 -0.80 -0.90 117.51 121.02 1r26 h ILE 43 Ca 0.12 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 1r26 h ILE 43 Cb 0.73 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 1r26 h ILE 43 CO 0.06 0.18 0.41 0.00 0.00 0.00 0.00 178.15 178.80 1r26 h ALA 44 N 1.21 1.12 -0.45 1.87 0.00 -0.92 -0.67 119.26 121.44 1r26 h ALA 44 Ca 0.23 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1r26 h ALA 44 Cb -0.06 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.38 1r26 h ALA 44 CO -0.05 0.66 -0.02 -0.92 0.00 0.00 0.00 179.25 178.93 1r26 h TYR 45 N 1.21 0.79 0.00 0.00 3.20 -1.09 -3.08 116.97 118.00 1r26 h TYR 45 Ca 0.29 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 62.05 1r26 h TYR 45 Cb 0.11 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.17 1r26 h TYR 45 CO 0.01 0.74 -0.32 0.39 -1.64 0.00 0.00 178.16 177.35 1r26 n GLU 46 N -4.22 0.24 -3.19 1.82 1.02 -0.37 -4.08 120.64 111.85 1r26 n GLU 46 Ca 0.02 0.13 -0.26 0.00 -0.02 0.00 0.00 57.16 57.03 1r26 n GLU 46 Cb 0.30 -1.71 -0.06 0.00 -0.02 0.00 0.00 31.44 29.95 1r26 n GLU 46 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1r26 n PHE 47 N -2.08 3.01 0.34 -0.32 3.01 -0.31 -4.94 117.46 116.17 1r26 n PHE 47 Ca 0.05 -4.00 0.13 0.00 1.01 0.00 0.00 57.45 54.63 1r26 n PHE 47 Cb 0.42 -0.50 0.55 0.00 -0.01 0.00 0.00 39.48 39.95 1r26 n PHE 47 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1r26 h PRO 48 N 3.60 0.00 -0.00 -1.08 0.13 -1.70 -1.61 132.00 131.33 1r26 h PRO 48 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1r26 h PRO 48 Cb 0.66 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1r26 h PRO 48 CO 0.76 0.00 -0.05 0.25 -0.23 0.00 0.00 178.00 178.72 1r26 n THR 49 N -2.37 0.00 -4.24 1.56 -2.24 -1.26 -4.79 114.28 100.94 1r26 n THR 49 Ca 0.01 -0.05 -0.35 0.00 -2.27 0.00 0.00 64.05 61.39 1r26 n THR 49 Cb 0.20 -0.20 -0.08 0.00 -2.10 0.00 0.00 70.33 68.14 1r26 n THR 49 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1r26 s VAL 50 N -2.33 4.61 -0.12 2.28 1.01 -0.61 -4.47 120.40 120.77 1r26 s VAL 50 Ca 0.34 -0.16 -0.13 0.00 0.00 0.00 0.00 61.98 62.03 1r26 s VAL 50 Cb 0.21 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.57 1r26 s VAL 50 CO 0.43 0.59 0.30 -0.75 0.00 0.00 0.00 175.10 175.67 1r26 s LYS 51 N -0.99 4.09 -0.30 2.72 2.20 -0.49 -4.99 119.74 121.98 1r26 s LYS 51 Ca 0.14 0.14 -0.04 0.00 -0.36 0.00 0.00 55.97 55.85 1r26 s LYS 51 Cb -0.12 -3.36 0.03 0.00 -1.51 0.00 0.00 37.83 32.88 1r26 s LYS 51 CO 0.04 0.39 0.03 -0.06 -0.36 0.00 0.00 175.35 175.39 1r26 s PHE 52 N -0.02 3.20 -0.35 4.03 0.40 -1.26 -0.64 117.98 123.33 1r26 s PHE 52 Ca 0.18 -1.50 -0.09 0.00 -0.60 0.00 0.00 56.93 54.92 1r26 s PHE 52 Cb -0.14 -2.17 0.03 0.00 0.51 0.00 0.00 43.02 41.25 1r26 s PHE 52 CO 0.06 -0.72 0.15 0.00 0.70 0.00 0.00 175.22 175.41 1r26 s ALA 53 N 1.36 3.16 -0.21 5.36 0.00 0.51 -0.66 121.76 131.29 1r26 s ALA 53 Ca -0.02 -1.68 -0.22 0.00 0.00 0.00 0.00 51.96 50.05 1r26 s ALA 53 Cb -0.19 -2.40 -0.02 0.00 0.00 0.00 0.00 23.12 20.51 1r26 s ALA 53 CO 0.00 -1.28 0.69 0.21 0.00 0.00 0.00 175.76 175.37 1r26 s LYS 54 N 1.49 4.20 -0.37 0.00 2.20 0.17 -0.81 119.74 126.62 1r26 s LYS 54 Ca 0.01 0.71 -0.03 0.00 -0.36 0.00 0.00 55.97 56.30 1r26 s LYS 54 Cb -0.19 -3.60 0.09 0.00 -1.51 0.00 0.00 37.83 32.62 1r26 s LYS 54 CO 0.05 -0.32 0.14 0.08 -0.36 0.00 0.00 175.35 174.93 1r26 s VAL 55 N 2.17 3.26 -0.03 4.02 1.01 0.60 -1.02 120.40 130.40 1r26 s VAL 55 Ca 0.30 -1.77 -0.30 0.00 0.00 0.00 0.00 61.98 60.22 1r26 s VAL 55 Cb -0.16 -3.10 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 1r26 s VAL 55 CO 0.10 -0.47 1.38 -0.62 0.00 0.00 0.00 175.10 175.48 1r26 s ASP 56 N 1.62 6.88 0.31 3.32 2.15 -1.26 -1.88 116.67 127.80 1r26 s ASP 56 Ca 0.03 2.03 0.13 0.00 0.43 0.00 0.00 52.55 55.18 1r26 s ASP 56 Cb -0.22 -2.56 0.46 0.00 -0.30 0.00 0.00 42.92 40.31 1r26 s ASP 56 CO -0.03 -0.72 1.65 0.00 -0.17 0.00 0.00 175.17 175.91 1r26 h ALA 57 N 7.95 0.99 0.01 3.66 0.00 -1.22 -1.13 119.26 129.52 1r26 h ALA 57 Ca -0.36 -0.49 -0.19 0.00 0.00 0.00 0.00 54.91 53.87 1r26 h ALA 57 Cb 1.17 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1r26 h ALA 57 CO 0.91 0.67 -0.87 -0.44 0.00 0.00 0.00 179.25 179.52 1r26 h ASP 58 N 0.00 0.09 0.10 0.00 3.32 -1.91 -3.23 116.42 114.79 1r26 h ASP 58 Ca -0.01 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1r26 h ASP 58 Cb 1.03 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.55 1r26 h ASP 58 CO 0.07 0.91 -0.81 0.59 -1.72 0.00 0.00 179.24 178.28 1r26 n ASN 59 N -3.57 1.03 -2.78 6.45 3.02 -1.13 -4.47 115.26 113.80 1r26 n ASN 59 Ca -0.02 -0.91 -0.19 0.00 -0.03 0.00 0.00 54.58 53.43 1r26 n ASN 59 Cb 0.82 0.76 -0.00 0.00 -0.61 0.00 0.00 39.78 40.74 1r26 n ASN 59 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1r26 n ASN 60 N -1.29 2.69 0.23 6.41 3.02 -0.44 -4.93 115.26 120.95 1r26 n ASN 60 Ca 0.05 -3.21 0.07 0.00 -0.03 0.00 0.00 54.58 51.46 1r26 n ASN 60 Cb 0.35 -0.54 0.55 0.00 -0.61 0.00 0.00 39.78 39.53 1r26 n ASN 60 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1r26 h SER 61 N 2.89 0.00 0.34 6.41 4.64 -1.78 -1.89 113.55 124.15 1r26 h SER 61 Ca 0.09 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.28 1r26 h SER 61 Cb 0.95 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 1r26 h SER 61 CO 0.65 0.17 -0.53 -0.08 -0.87 0.00 0.00 176.83 176.17 1r26 h GLU 62 N 0.00 0.21 -0.38 4.77 4.81 -1.91 -1.69 114.58 120.39 1r26 h GLU 62 Ca -0.00 -0.13 -0.10 0.00 -0.13 0.00 0.00 59.36 59.00 1r26 h GLU 62 Cb 0.33 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1r26 h GLU 62 CO 0.02 0.69 -0.14 0.82 -0.73 0.00 0.00 179.01 179.67 1r26 h ILE 63 N 0.17 1.28 -0.64 2.32 2.04 -1.77 -0.57 117.51 120.34 1r26 h ILE 63 Ca 0.00 -1.25 0.09 0.00 1.00 0.00 0.00 64.86 64.70 1r26 h ILE 63 Cb 0.98 1.28 -0.07 0.00 -0.74 0.00 0.00 36.82 38.28 1r26 h ILE 63 CO 0.08 0.42 0.27 0.58 0.00 0.00 0.00 178.15 179.50 1r26 h VAL 64 N 0.58 0.80 -0.19 1.67 2.07 -1.35 -1.76 116.25 118.06 1r26 h VAL 64 Ca 0.09 -0.16 -0.20 0.00 0.82 0.00 0.00 66.70 67.25 1r26 h VAL 64 Cb 0.68 0.29 0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1r26 h VAL 64 CO 0.05 0.09 -0.66 0.77 0.02 0.00 0.00 177.57 177.83 1r26 h SER 65 N 0.47 0.92 -0.92 0.57 4.64 -1.16 -1.56 113.55 116.52 1r26 h SER 65 Ca 0.32 -0.60 0.03 0.00 -0.47 0.00 0.00 61.79 61.07 1r26 h SER 65 Cb 0.37 -0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 62.14 1r26 h SER 65 CO -0.29 1.36 0.60 0.11 -0.87 0.00 0.00 176.83 177.74 1r26 h LYS 66 N 0.53 1.14 -0.08 4.77 1.57 -0.84 -2.14 116.57 121.53 1r26 h LYS 66 Ca -0.03 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1r26 h LYS 66 Cb 1.29 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1r26 h LYS 66 CO 0.14 0.76 0.00 0.00 -0.57 0.00 0.00 179.45 179.78 1r26 n ARG 68 N 0.34 -4.69 -2.66 0.00 1.74 -0.67 -4.93 116.66 105.78 1r26 n ARG 68 Ca 0.18 0.56 -0.42 0.00 -0.77 0.00 0.00 57.85 57.39 1r26 n ARG 68 Cb 0.37 -5.14 -0.03 0.00 -1.02 0.00 0.00 32.46 26.64 1r26 n ARG 68 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1r26 s VAL 69 N -3.59 4.74 -0.14 1.55 1.01 -0.69 -4.94 120.40 118.34 1r26 s VAL 69 Ca 0.25 1.97 0.07 0.00 0.00 0.00 0.00 61.98 64.27 1r26 s VAL 69 Cb -0.13 -4.27 -0.10 0.00 0.00 0.00 0.00 36.38 31.89 1r26 s VAL 69 CO 0.84 0.11 0.21 0.18 0.00 0.00 0.00 175.10 176.45 1r26 n LEU 70 N 4.20 0.13 -3.56 3.92 4.77 -1.26 -4.84 117.00 120.36 1r26 n LEU 70 Ca 0.07 -0.20 -0.11 0.00 -0.03 0.00 0.00 56.01 55.74 1r26 n LEU 70 Cb 0.50 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.56 1r26 n LEU 70 CO 0.53 0.03 0.29 0.00 -1.33 0.00 0.00 177.39 176.91 1r26 s GLN 71 N -2.15 1.22 0.05 3.23 0.00 -1.26 -5.17 119.66 115.57 1r26 s GLN 71 Ca -0.00 -0.63 0.08 0.00 -0.00 0.00 0.00 55.36 54.81 1r26 s GLN 71 Cb 0.05 0.53 -0.03 0.00 0.00 0.00 0.00 33.01 33.57 1r26 s GLN 71 CO 0.29 -0.51 -0.23 -0.51 0.00 0.00 0.00 175.29 174.33 1r26 s LEU 72 N -2.79 2.17 0.67 2.60 1.43 -1.26 -3.85 118.68 117.65 1r26 s LEU 72 Ca 0.03 -0.56 -0.12 0.00 -1.03 0.00 0.00 54.13 52.45 1r26 s LEU 72 Cb -0.00 -1.10 -0.00 0.00 0.03 0.00 0.00 46.19 45.11 1r26 s LEU 72 CO -0.11 0.20 1.06 -2.16 0.23 0.00 0.00 176.35 175.57 1r26 s PRO 73 N -1.24 3.05 0.03 1.29 0.04 -1.26 -4.71 135.00 132.20 1r26 s PRO 73 Ca 0.09 1.00 0.01 0.00 0.04 0.00 0.00 61.00 62.15 1r26 s PRO 73 Cb -0.09 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 1r26 s PRO 73 CO 0.02 -1.01 -0.06 0.99 0.04 0.00 0.00 177.00 176.98 1r26 s THR 74 N -2.92 0.39 -0.08 1.26 2.01 -0.97 -0.61 115.64 114.72 1r26 s THR 74 Ca 0.59 -0.81 0.03 0.00 0.31 0.00 0.00 61.69 61.81 1r26 s THR 74 Cb -0.14 -0.45 0.00 0.00 0.01 0.00 0.00 72.50 71.92 1r26 s THR 74 CO 0.51 -0.29 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.60 1r26 s PHE 75 N -1.07 2.03 -0.12 4.92 0.40 -0.15 -0.75 117.98 123.24 1r26 s PHE 75 Ca -0.08 -0.77 0.03 0.00 -0.60 0.00 0.00 56.93 55.51 1r26 s PHE 75 Cb -0.08 -1.39 0.01 0.00 0.51 0.00 0.00 43.02 42.07 1r26 s PHE 75 CO -0.00 -0.33 -0.22 0.42 0.70 0.00 0.00 175.22 175.79 1r26 s ILE 76 N 0.41 2.00 -0.14 0.64 1.01 -0.16 -1.03 121.20 123.92 1r26 s ILE 76 Ca -0.15 -0.96 -0.05 0.00 0.00 0.00 0.00 60.65 59.49 1r26 s ILE 76 Cb -0.16 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 1r26 s ILE 76 CO 0.06 0.54 0.03 -0.63 0.00 0.00 0.00 174.94 174.94 1r26 s ILE 77 N 0.59 4.54 0.10 2.92 1.01 0.15 -0.45 121.20 130.06 1r26 s ILE 77 Ca -0.13 -0.14 -0.11 0.00 0.00 0.00 0.00 60.65 60.27 1r26 s ILE 77 Cb -0.17 -2.99 0.01 0.00 0.01 0.00 0.00 42.46 39.32 1r26 s ILE 77 CO 0.03 0.52 0.26 0.00 0.00 0.00 0.00 174.94 175.76 1r26 s ALA 78 N -0.10 -0.45 -0.16 9.38 0.00 -0.13 -0.63 121.76 129.68 1r26 s ALA 78 Ca 0.05 -0.44 -0.10 0.00 0.00 0.00 0.00 51.96 51.47 1r26 s ALA 78 Cb -0.12 0.57 0.05 0.00 0.00 0.00 0.00 23.12 23.62 1r26 s ALA 78 CO 0.02 -0.56 0.39 0.50 0.00 0.00 0.00 175.76 176.10 1r26 s ARG 79 N -3.85 0.39 -1.47 0.00 3.52 -0.85 -1.04 118.95 115.67 1r26 s ARG 79 Ca 0.05 0.69 -0.10 0.00 -0.13 0.00 0.00 55.73 56.23 1r26 s ARG 79 Cb 0.04 0.04 0.05 0.00 -1.56 0.00 0.00 34.95 33.52 1r26 s ARG 79 CO -0.11 -0.13 0.88 0.43 -0.81 0.00 0.00 175.30 175.56 1r26 n SER 80 N 3.85 -5.29 0.00 -2.12 7.64 0.22 -1.13 113.62 116.79 1r26 n SER 80 Ca -0.21 -0.57 0.00 0.00 1.01 0.00 0.00 58.87 59.11 1r26 n SER 80 Cb 0.56 -4.24 0.00 0.00 -1.01 0.00 0.00 64.21 59.52 1r26 n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1r26 n GLY 81 N -1.65 0.84 3.73 0.23 0.00 -0.00 -4.89 105.19 103.43 1r26 n GLY 81 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1r26 n GLY 81 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1r26 s LYS 82 N -0.09 4.19 0.08 1.61 2.20 -0.28 -4.99 119.74 122.46 1r26 s LYS 82 Ca 0.00 -0.19 -0.31 0.00 -0.36 0.00 0.00 55.97 55.11 1r26 s LYS 82 Cb 0.00 -3.43 -0.09 0.00 -1.51 0.00 0.00 37.83 32.81 1r26 s LYS 82 CO 0.00 0.28 1.67 1.41 -0.36 0.00 0.00 175.35 178.35 1r26 s MET 83 N 0.41 4.19 -0.00 4.03 -2.45 -1.26 -2.00 119.30 122.22 1r26 s MET 83 Ca 0.09 2.37 0.05 0.00 -1.25 0.00 0.00 55.69 56.95 1r26 s MET 83 Cb -0.11 -3.57 -0.07 0.00 1.25 0.00 0.00 34.83 32.33 1r26 s MET 83 CO -0.01 -0.74 0.17 1.28 1.05 0.00 0.00 175.02 176.77 1r26 n LEU 84 N 5.52 0.14 0.00 4.11 4.77 0.20 -4.97 117.00 126.78 1r26 n LEU 84 Ca 0.16 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1r26 n LEU 84 Cb 0.40 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1r26 n LEU 84 CO 0.63 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 1r26 n GLY 85 N 1.57 1.15 3.15 -0.72 0.00 -1.16 -4.95 105.19 104.24 1r26 n GLY 85 Ca 0.00 -1.28 -0.08 0.00 0.00 0.00 0.00 46.02 44.66 1r26 n GLY 85 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1r26 s HIS 86 N -1.94 0.38 -0.07 1.61 -3.43 -1.26 -0.68 115.29 109.91 1r26 s HIS 86 Ca 0.00 -0.86 0.00 0.00 -0.80 0.00 0.00 55.06 53.40 1r26 s HIS 86 Cb 0.00 -0.24 0.02 0.00 -1.43 0.00 0.00 32.58 30.93 1r26 s HIS 86 CO 0.00 -0.48 -0.05 0.08 -2.00 0.00 0.00 174.74 172.29 1r26 s VAL 87 N -3.91 0.69 -0.18 -5.38 1.01 -0.20 -5.00 120.40 107.44 1r26 s VAL 87 Ca 0.08 -0.16 -0.09 0.00 0.00 0.00 0.00 61.98 61.81 1r26 s VAL 87 Cb 0.06 -0.72 -0.05 0.00 0.00 0.00 0.00 36.38 35.67 1r26 s VAL 87 CO -0.09 0.28 0.12 -0.63 0.00 0.00 0.00 175.10 174.78 1r26 s ILE 88 N 1.25 5.35 0.00 2.22 -1.09 -1.26 -0.97 121.20 126.70 1r26 s ILE 88 Ca -0.05 0.16 0.00 0.00 -2.23 0.00 0.00 60.65 58.53 1r26 s ILE 88 Cb -0.14 -3.41 0.00 0.00 -1.58 0.00 0.00 42.46 37.33 1r26 s ILE 88 CO -0.02 0.49 0.00 0.61 -1.23 0.00 0.00 174.94 174.79 1r26 n GLY 89 N 3.13 -2.10 2.83 6.18 0.00 0.22 -4.60 105.19 110.85 1r26 n GLY 89 Ca -0.17 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 1r26 n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r26 n ALA 90 N -0.18 5.35 -3.10 4.61 0.00 -1.26 -4.66 120.51 121.26 1r26 n ALA 90 Ca 0.00 -3.98 -0.23 0.00 0.00 0.00 0.00 53.44 49.23 1r26 n ALA 90 Cb 0.00 -3.41 -0.04 0.00 0.00 0.00 0.00 19.45 16.00 1r26 n ALA 90 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1r26 n ASN 91 N 5.75 2.61 0.09 0.00 3.02 -1.26 -4.93 115.26 120.54 1r26 n ASN 91 Ca 0.49 -3.32 0.05 0.00 -0.03 0.00 0.00 54.58 51.77 1r26 n ASN 91 Cb 0.39 -0.60 0.49 0.00 -0.61 0.00 0.00 39.78 39.45 1r26 n ASN 91 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1r26 h PRO 92 N 3.15 0.34 -0.76 3.52 0.13 -1.97 -2.17 132.00 134.24 1r26 h PRO 92 Ca 0.12 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 65.17 1r26 h PRO 92 Cb 0.73 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 31.76 1r26 h PRO 92 CO 0.66 0.24 0.28 0.78 -0.23 0.00 0.00 178.00 179.73 1r26 h GLY 93 N 0.38 1.24 1.06 1.56 0.00 -1.99 0.06 103.07 105.39 1r26 h GLY 93 Ca 0.09 -0.70 -0.08 0.00 0.00 0.00 0.00 47.33 46.64 1r26 h GLY 93 CO -0.02 0.66 0.09 1.98 0.00 0.00 0.00 176.54 179.25 1r26 h MET 94 N 1.12 1.08 -0.53 4.80 1.85 -1.86 -1.24 114.93 120.15 1r26 h MET 94 Ca 0.25 -0.30 -0.01 0.00 -0.61 0.00 0.00 59.70 59.04 1r26 h MET 94 Cb 0.25 -0.12 -0.03 0.00 0.43 0.00 0.00 31.60 32.14 1r26 h MET 94 CO -0.02 1.00 0.30 1.25 -0.40 0.00 0.00 176.91 179.05 1r26 h LEU 95 N 1.00 0.65 -0.50 3.39 5.85 -0.91 -0.55 115.31 124.24 1r26 h LEU 95 Ca 0.19 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.85 1r26 h LEU 95 Cb 0.46 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1r26 h LEU 95 CO 0.02 0.54 0.32 -0.09 -0.34 0.00 0.00 178.44 178.88 1r26 h ARG 96 N 0.71 0.62 -0.71 1.25 2.43 -0.87 -0.69 114.38 117.12 1r26 h ARG 96 Ca 0.19 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.26 1r26 h ARG 96 Cb 0.02 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 1r26 h ARG 96 CO -0.03 0.41 0.22 0.37 -1.51 0.00 0.00 179.97 179.43 1r26 h GLN 97 N 0.64 1.11 -0.47 0.20 5.75 -1.02 -1.10 115.11 120.22 1r26 h GLN 97 Ca 0.19 -0.24 -0.09 0.00 -0.15 0.00 0.00 58.65 58.36 1r26 h GLN 97 Cb -0.04 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.34 1r26 h GLN 97 CO -0.06 0.96 -0.05 -0.22 -2.65 0.00 0.00 178.83 176.81 1r26 h LYS 98 N 1.05 0.87 -0.45 1.69 3.64 -0.60 -1.85 116.57 120.92 1r26 h LYS 98 Ca 0.23 -0.30 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 1r26 h LYS 98 Cb 0.32 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1r26 h LYS 98 CO -0.01 0.94 0.13 -0.07 -2.27 0.00 0.00 179.45 178.17 1r26 h LEU 99 N 0.72 0.67 -0.51 5.20 3.38 -0.97 -1.48 115.31 122.33 1r26 h LEU 99 Ca 0.13 -0.22 0.08 0.00 0.09 0.00 0.00 57.88 57.96 1r26 h LEU 99 Cb 0.57 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 1r26 h LEU 99 CO 0.03 0.71 0.15 0.03 0.09 0.00 0.00 178.44 179.45 1r26 h ARG 100 N 0.59 0.30 0.00 1.13 3.08 -1.03 -1.11 114.38 117.34 1r26 h ARG 100 Ca 0.14 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 60.08 1r26 h ARG 100 Cb 0.29 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1r26 h ARG 100 CO -0.00 0.20 -0.47 -0.44 -1.07 0.00 0.00 179.97 178.19 1r26 h ASP 101 N 0.31 0.00 -0.16 7.04 3.32 -1.08 -0.57 116.42 125.27 1r26 h ASP 101 Ca 0.25 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.13 1r26 h ASP 101 Cb 0.30 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.86 1r26 h ASP 101 CO -0.29 0.47 -0.58 0.40 -1.72 0.00 0.00 179.24 177.52 1r26 h ILE 102 N 0.00 1.32 -0.22 0.35 2.04 -0.86 -3.08 117.51 117.06 1r26 h ILE 102 Ca -0.00 -1.83 -0.15 0.00 1.00 0.00 0.00 64.86 63.88 1r26 h ILE 102 Cb 0.94 1.99 -0.01 0.00 -0.74 0.00 0.00 36.82 39.00 1r26 h ILE 102 CO 0.06 0.57 -0.47 0.40 0.00 0.00 0.00 178.15 178.71 1r26 h ILE 103 N 0.37 1.31 -0.39 -0.67 2.04 -1.02 -3.21 117.51 115.93 1r26 h ILE 103 Ca -0.03 -1.67 -0.08 0.00 1.00 0.00 0.00 64.86 64.09 1r26 h ILE 103 Cb 1.21 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.93 1r26 h ILE 103 CO 0.12 0.52 -0.05 0.11 0.00 0.00 0.00 178.15 178.86 1r26 h LYS 104 N 0.46 0.73 -0.02 2.37 1.57 -1.17 -3.51 116.57 116.99 1r26 h LYS 104 Ca 0.03 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1r26 h LYS 104 Cb 0.99 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.25 1r26 h LYS 104 CO 0.09 0.84 0.00 -0.25 -0.57 0.00 0.00 179.45 179.56