#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n33 s ARG 3 N 0.00 2.75 -1.05 0.54 1.81 -1.26 -5.06 118.95 116.68 1n33 s ARG 3 Ca 0.00 -1.13 -0.16 0.00 -1.72 0.00 0.00 55.73 52.72 1n33 s ARG 3 Cb 0.00 -3.66 0.15 0.00 -0.45 0.00 0.00 34.95 31.00 1n33 s ARG 3 CO 0.00 -0.71 1.24 0.45 -0.68 0.00 0.00 175.30 175.61 1n33 s SER 4 N 1.53 6.84 -0.08 0.23 0.15 -1.26 -4.79 113.70 116.31 1n33 s SER 4 Ca 0.01 -2.51 -0.03 0.00 0.70 0.00 0.00 55.95 54.13 1n33 s SER 4 Cb -0.19 -2.39 -0.01 0.00 -1.71 0.00 0.00 66.02 61.71 1n33 s SER 4 CO 0.05 -0.89 0.11 -0.07 1.20 0.00 0.00 173.24 173.64 1n33 h LEU 5 N 9.93 -0.08 0.00 3.45 3.38 -1.99 -3.51 115.31 126.49 1n33 h LEU 5 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1n33 h LEU 5 Cb 0.96 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1n33 h LEU 5 CO 1.15 0.39 0.00 1.17 0.09 0.00 0.00 178.44 181.24 1n33 n LYS 6 N -4.72 0.00 -2.96 1.13 4.81 -1.26 -4.84 118.16 110.32 1n33 n LYS 6 Ca -0.01 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.15 1n33 n LYS 6 Cb 0.04 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.05 1n33 n LYS 6 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1n33 n LYS 7 N 0.00 3.32 0.00 1.64 2.85 -1.26 -4.74 118.16 119.97 1n33 n LYS 7 Ca 0.00 -4.84 0.00 0.00 -1.05 0.00 0.00 58.31 52.42 1n33 n LYS 7 Cb 0.00 -2.26 0.00 0.00 -0.65 0.00 0.00 35.03 32.12 1n33 n LYS 7 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1n33 n GLY 8 N -0.15 -1.80 2.99 2.58 0.00 -1.26 -5.16 105.19 102.38 1n33 n GLY 8 Ca 0.32 0.71 -0.36 0.00 0.00 0.00 0.00 46.02 46.69 1n33 n GLY 8 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1n33 n VAL 9 N 0.00 0.00 -4.61 1.61 0.31 -1.26 -5.01 118.33 109.36 1n33 n VAL 9 Ca 0.00 -0.49 -0.22 0.00 -0.01 0.00 0.00 64.34 63.62 1n33 n VAL 9 Cb 0.00 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 32.78 1n33 n VAL 9 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1n33 s PHE 10 N -1.96 1.27 -0.26 3.52 5.36 -1.26 -5.12 117.98 119.53 1n33 s PHE 10 Ca 0.42 -0.25 -0.02 0.00 -0.96 0.00 0.00 56.93 56.12 1n33 s PHE 10 Cb -0.24 -0.81 0.15 0.00 -0.34 0.00 0.00 43.02 41.78 1n33 s PHE 10 CO 0.78 -0.01 0.43 0.08 -1.46 0.00 0.00 175.22 175.04 1n33 s VAL 11 N -0.40 -0.70 -0.22 3.12 1.01 -1.26 -2.77 120.40 119.18 1n33 s VAL 11 Ca 0.05 -0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.68 1n33 s VAL 11 Cb -0.06 -0.86 -0.07 0.00 0.00 0.00 0.00 36.38 35.39 1n33 s VAL 11 CO -0.00 -0.09 2.18 -0.67 0.00 0.00 0.00 175.10 176.51 1n33 n ASP 12 N 5.38 3.11 -0.38 3.32 4.64 -1.26 -4.85 116.55 126.51 1n33 n ASP 12 Ca -0.03 0.35 0.35 0.00 -1.38 0.00 0.00 54.79 54.07 1n33 n ASP 12 Cb 0.50 -1.48 0.62 0.00 -1.04 0.00 0.00 41.12 39.72 1n33 n ASP 12 CO 0.00 0.00 0.00 -2.24 -0.82 0.00 0.00 177.20 174.14 1n33 h ASP 13 N 13.81 0.29 -0.06 1.67 2.03 -1.99 -3.21 116.42 128.95 1n33 h ASP 13 Ca -0.39 0.21 0.01 0.00 -0.73 0.00 0.00 57.03 56.13 1n33 h ASP 13 Cb 1.26 0.22 -0.01 0.00 -0.83 0.00 0.00 39.33 39.97 1n33 h ASP 13 CO 0.97 -0.34 -0.04 1.41 -1.03 0.00 0.00 179.24 180.21 1n33 n HIS 14 N -5.03 -0.02 -0.08 4.15 8.25 -1.26 0.29 115.22 121.51 1n33 n HIS 14 Ca 0.38 0.08 -0.13 0.00 -0.26 0.00 0.00 57.72 57.79 1n33 n HIS 14 Cb 1.38 -0.51 -0.14 0.00 1.12 0.00 0.00 29.99 31.83 1n33 n HIS 14 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 1n33 n LEU 15 N -4.08 1.28 -0.34 2.41 -0.00 -1.21 -3.93 117.00 111.13 1n33 n LEU 15 Ca 0.00 0.06 0.07 0.00 -0.00 0.00 0.00 56.01 56.15 1n33 n LEU 15 Cb 0.02 -0.13 0.16 0.00 -0.00 0.00 0.00 43.42 43.47 1n33 n LEU 15 CO -0.01 0.64 0.65 -0.11 -0.00 0.00 0.00 177.39 178.56 1n33 n LEU 16 N -3.03 -0.29 -0.03 1.47 7.94 0.14 0.37 117.00 123.57 1n33 n LEU 16 Ca -0.33 1.62 -0.14 0.00 -1.11 0.00 0.00 56.01 56.04 1n33 n LEU 16 Cb 1.08 -0.51 -0.09 0.00 0.53 0.00 0.00 43.42 44.43 1n33 n LEU 16 CO 0.39 -1.57 0.50 -0.33 -1.11 0.00 0.00 177.39 175.27 1n33 h GLU 17 N 0.00 0.25 0.00 1.96 4.39 -1.50 -0.85 114.58 118.83 1n33 h GLU 17 Ca 0.48 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.99 1n33 h GLU 17 Cb 0.79 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 1n33 h GLU 17 CO -0.95 0.81 0.00 -0.22 -1.16 0.00 0.00 179.01 177.49 1n33 h LYS 18 N -0.26 0.00 0.00 2.33 3.64 -0.04 -1.87 116.57 120.37 1n33 h LYS 18 Ca -0.01 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.05 1n33 h LYS 18 Cb 0.83 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.60 1n33 h LYS 18 CO 0.04 0.00 -1.94 1.55 -2.27 0.00 0.00 179.45 176.84 1n33 n VAL 19 N -2.94 1.55 0.19 2.00 3.14 1.17 -3.52 118.33 119.93 1n33 n VAL 19 Ca 0.01 -0.81 0.07 0.00 -2.96 0.00 0.00 64.34 60.65 1n33 n VAL 19 Cb 0.30 -0.90 0.33 0.00 -1.06 0.00 0.00 33.84 32.52 1n33 n VAL 19 CO 0.00 0.00 0.00 0.17 -6.46 0.00 0.00 176.83 170.54 1n33 h LEU 20 N 0.00 0.00 0.08 6.55 8.10 -0.94 -3.15 115.31 125.95 1n33 h LEU 20 Ca -0.38 0.00 -0.29 0.00 0.11 0.00 0.00 57.88 57.33 1n33 h LEU 20 Cb 2.08 0.00 0.02 0.00 -0.44 0.00 0.00 40.66 42.33 1n33 h LEU 20 CO 0.06 0.33 -1.21 -0.33 -4.11 0.00 0.00 178.44 173.18 1n33 h GLU 21 N 0.00 0.51 0.00 0.17 5.08 -1.47 -3.19 114.58 115.68 1n33 h GLU 21 Ca -0.00 -0.70 0.00 0.00 -1.00 0.00 0.00 59.36 57.66 1n33 h GLU 21 Cb 0.92 0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1n33 h GLU 21 CO 0.04 1.31 0.02 -0.07 -1.00 0.00 0.00 179.01 179.31 1n33 h LEU 22 N 0.22 0.00 -0.43 1.33 3.38 -1.59 0.37 115.31 118.60 1n33 h LEU 22 Ca -0.16 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.65 1n33 h LEU 22 Cb 1.89 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.62 1n33 h LEU 22 CO 0.22 0.00 -0.74 0.78 0.09 0.00 0.00 178.44 178.79 1n33 h ASN 23 N 0.00 0.00 -0.57 -0.43 2.35 -1.62 -1.13 115.58 114.19 1n33 h ASN 23 Ca 0.00 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 1n33 h ASN 23 Cb 0.04 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 1n33 h ASN 23 CO 0.00 0.74 0.13 0.00 -1.65 0.00 0.00 177.43 176.65 1n33 h ALA 24 N 1.26 0.75 0.00 -0.83 0.00 -0.36 -2.08 119.26 118.00 1n33 h ALA 24 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1n33 h ALA 24 Cb 1.36 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1n33 h ALA 24 CO 0.10 0.46 0.00 1.63 0.00 0.00 0.00 179.25 181.43 1n33 n LYS 25 N -4.38 0.33 0.00 0.00 4.01 -1.20 -4.91 118.16 112.00 1n33 n LYS 25 Ca 0.03 0.02 0.00 0.00 -0.51 0.00 0.00 58.31 57.84 1n33 n LYS 25 Cb 0.24 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.26 1n33 n LYS 25 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1n33 n GLY 26 N 1.20 2.95 3.92 0.72 0.00 -0.78 -4.99 105.19 108.21 1n33 n GLY 26 Ca 0.12 -0.84 -0.02 0.00 0.00 0.00 0.00 46.02 45.28 1n33 n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n33 s GLU 27 N 0.00 1.16 0.00 1.61 0.41 -0.44 -4.58 118.70 116.86 1n33 s GLU 27 Ca 0.00 -0.76 0.00 0.00 -0.41 0.00 0.00 54.97 53.80 1n33 s GLU 27 Cb 0.00 0.32 0.00 0.00 -1.78 0.00 0.00 34.13 32.67 1n33 s GLU 27 CO 0.00 -0.55 0.00 1.17 -0.49 0.00 0.00 175.26 175.39 1n33 n LYS 28 N -0.76 1.61 -3.17 1.61 4.81 -1.26 -4.84 118.16 116.15 1n33 n LYS 28 Ca -0.01 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.32 1n33 n LYS 28 Cb 0.59 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.60 1n33 n LYS 28 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1n33 s ARG 29 N 2.37 0.84 0.37 1.64 0.52 -1.26 -5.08 118.95 118.35 1n33 s ARG 29 Ca 0.00 -0.96 0.00 0.00 -0.52 0.00 0.00 55.73 54.25 1n33 s ARG 29 Cb 0.00 -0.45 0.00 0.00 0.52 0.00 0.00 34.95 35.02 1n33 s ARG 29 CO 0.00 -1.26 0.00 -0.11 0.02 0.00 0.00 175.30 173.95 1n33 n LEU 30 N 3.74 -1.57 0.00 2.53 0.00 -1.26 -5.09 117.00 115.34 1n33 n LEU 30 Ca 0.16 2.03 0.00 0.00 0.00 0.00 0.00 56.01 58.20 1n33 n LEU 30 Cb 0.51 -1.75 0.00 0.00 0.00 0.00 0.00 43.42 42.18 1n33 n LEU 30 CO 0.04 -0.02 0.00 -0.38 0.00 0.00 0.00 177.39 177.03 1n33 n ILE 31 N -1.42 0.00 0.00 1.96 2.08 -0.29 -5.00 119.36 116.69 1n33 n ILE 31 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1n33 n ILE 31 Cb 0.12 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.01 1n33 n ILE 31 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 1n33 n LYS 32 N 0.00 0.00 -2.16 0.38 2.85 -1.25 -3.69 118.16 114.29 1n33 n LYS 32 Ca 0.00 0.00 -0.27 0.00 -1.05 0.00 0.00 58.31 56.99 1n33 n LYS 32 Cb 0.00 0.00 0.12 0.00 -0.65 0.00 0.00 35.03 34.50 1n33 n LYS 32 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 1n33 s THR 33 N 0.00 2.11 0.00 0.58 -1.32 -0.75 -4.90 115.64 111.37 1n33 s THR 33 Ca 0.00 -0.21 0.00 0.00 -1.21 0.00 0.00 61.69 60.27 1n33 s THR 33 Cb 0.00 -2.90 0.00 0.00 -1.51 0.00 0.00 72.50 68.09 1n33 s THR 33 CO 0.00 0.00 0.00 0.79 -2.21 0.00 0.00 174.62 173.20 1n33 n TRP 34 N -3.26 0.00 -2.72 9.09 8.01 -1.26 -3.73 117.44 123.57 1n33 n TRP 34 Ca 0.12 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 55.91 1n33 n TRP 34 Cb 0.60 0.00 0.01 0.00 -2.01 0.00 0.00 31.31 29.92 1n33 n TRP 34 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 1n33 n SER 35 N -0.03 7.04 0.17 -0.99 7.64 -1.26 -4.69 113.62 121.50 1n33 n SER 35 Ca 0.00 -3.64 0.08 0.00 1.01 0.00 0.00 58.87 56.32 1n33 n SER 35 Cb 0.03 -1.15 0.45 0.00 -1.01 0.00 0.00 64.21 62.52 1n33 n SER 35 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1n33 n ARG 36 N 0.17 0.11 0.25 1.43 1.85 -1.26 0.17 116.66 119.39 1n33 n ARG 36 Ca 0.42 0.60 0.14 0.00 -1.00 0.00 0.00 57.85 58.01 1n33 n ARG 36 Cb 0.28 -2.06 0.59 0.00 -1.05 0.00 0.00 32.46 30.23 1n33 n ARG 36 CO 0.00 0.00 0.00 0.07 -0.01 0.00 0.00 177.63 177.69 1n33 h ARG 37 N 0.00 0.00 -6.53 2.89 0.11 -1.97 -2.23 114.38 106.65 1n33 h ARG 37 Ca 0.00 0.00 -0.53 0.00 0.10 0.00 0.00 59.98 59.55 1n33 h ARG 37 Cb 0.40 0.00 0.03 0.00 1.11 0.00 0.00 29.97 31.51 1n33 h ARG 37 CO 0.00 0.10 0.92 0.45 0.10 0.00 0.00 179.97 181.55 1n33 s SER 38 N -5.94 6.61 0.00 0.08 0.15 0.45 -4.91 113.70 110.15 1n33 s SER 38 Ca 0.01 2.53 0.00 0.00 0.70 0.00 0.00 55.95 59.18 1n33 s SER 38 Cb 0.10 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 1n33 s SER 38 CO 0.59 -0.84 0.00 0.41 1.20 0.00 0.00 173.24 174.60 1n33 n THR 39 N 4.33 0.00 -3.79 6.45 -1.04 -1.12 -3.35 114.28 115.76 1n33 n THR 39 Ca 0.15 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.03 1n33 n THR 39 Cb 0.40 -0.05 -0.10 0.00 -1.82 0.00 0.00 70.33 68.76 1n33 n THR 39 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1n33 s ILE 40 N 0.00 0.03 0.23 12.58 1.01 -1.13 -4.44 121.20 129.48 1n33 s ILE 40 Ca 0.00 -0.28 0.04 0.00 0.00 0.00 0.00 60.65 60.41 1n33 s ILE 40 Cb 0.00 -0.47 -0.05 0.00 0.01 0.00 0.00 42.46 41.95 1n33 s ILE 40 CO 0.00 -0.15 -0.01 0.68 0.00 0.00 0.00 174.94 175.46 1n33 s VAL 41 N -0.61 1.09 0.35 2.92 -7.23 -1.25 -4.59 120.40 111.09 1n33 s VAL 41 Ca -0.07 -2.04 0.16 0.00 -1.81 0.00 0.00 61.98 58.22 1n33 s VAL 41 Cb -0.04 -2.34 0.34 0.00 0.56 0.00 0.00 36.38 34.90 1n33 s VAL 41 CO 0.02 -0.33 1.65 -0.65 -0.31 0.00 0.00 175.10 175.48 1n33 h PRO 42 N 2.46 0.25 -0.90 4.82 0.11 -2.00 -2.27 132.00 134.47 1n33 h PRO 42 Ca -0.38 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1n33 h PRO 42 Cb 1.22 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1n33 h PRO 42 CO 0.65 0.17 0.00 -0.85 -0.21 0.00 0.00 178.00 177.75 1n33 n GLU 43 N -5.07 0.24 -0.10 1.05 0.00 -1.26 -2.69 120.64 112.81 1n33 n GLU 43 Ca 0.33 0.00 -0.21 0.00 0.00 0.00 0.00 57.16 57.28 1n33 n GLU 43 Cb 1.05 -1.23 -0.07 0.00 0.00 0.00 0.00 31.44 31.19 1n33 n GLU 43 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1n33 n MET 44 N 0.60 0.43 -0.60 3.44 2.81 -0.86 -4.87 117.12 118.07 1n33 n MET 44 Ca 0.00 0.19 -0.25 0.00 -1.81 0.00 0.00 57.70 55.83 1n33 n MET 44 Cb 0.09 -1.22 -0.04 0.00 -0.71 0.00 0.00 33.22 31.33 1n33 n MET 44 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1n33 n VAL 45 N -3.93 0.00 0.00 2.03 0.31 -1.09 0.92 118.33 116.57 1n33 n VAL 45 Ca -0.39 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 1n33 n VAL 45 Cb 0.77 -0.19 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 1n33 n VAL 45 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1n33 n GLY 46 N 2.06 3.10 2.50 2.92 0.00 -1.26 -5.04 105.19 109.46 1n33 n GLY 46 Ca 0.15 -0.93 -0.24 0.00 0.00 0.00 0.00 46.02 45.01 1n33 n GLY 46 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1n33 n HIS 47 N 0.00 -3.44 -3.29 1.61 -0.00 0.26 -4.89 115.22 105.48 1n33 n HIS 47 Ca 0.00 -0.65 -0.08 0.00 -0.00 0.00 0.00 57.72 56.99 1n33 n HIS 47 Cb 0.00 -0.97 -0.04 0.00 -0.00 0.00 0.00 29.99 28.97 1n33 n HIS 47 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 1n33 s THR 48 N -1.90 -0.65 -0.67 1.59 2.01 -1.26 -3.66 115.64 111.10 1n33 s THR 48 Ca 0.53 -0.52 -0.19 0.00 0.31 0.00 0.00 61.69 61.82 1n33 s THR 48 Cb -0.09 -0.38 0.11 0.00 0.01 0.00 0.00 72.50 72.15 1n33 s THR 48 CO 0.44 -0.31 0.80 -0.63 -0.69 0.00 0.00 174.62 174.23 1n33 s ILE 49 N 1.66 4.82 -0.40 1.82 1.01 -1.23 -1.14 121.20 127.74 1n33 s ILE 49 Ca 0.16 -1.15 -0.28 0.00 0.00 0.00 0.00 60.65 59.39 1n33 s ILE 49 Cb -0.10 -4.55 -0.03 0.00 0.01 0.00 0.00 42.46 37.79 1n33 s ILE 49 CO -0.06 -1.21 1.96 0.00 0.00 0.00 0.00 174.94 175.63 1n33 s ALA 50 N 2.61 2.52 0.43 9.38 0.00 -1.24 -3.65 121.76 131.81 1n33 s ALA 50 Ca 0.16 0.10 -0.01 0.00 0.00 0.00 0.00 51.96 52.21 1n33 s ALA 50 Cb -0.19 -4.13 -0.02 0.00 0.00 0.00 0.00 23.12 18.78 1n33 s ALA 50 CO 0.03 -3.19 0.67 0.08 0.00 0.00 0.00 175.76 173.35 1n33 s VAL 51 N 8.31 4.50 0.18 0.00 1.01 0.60 -1.80 120.40 133.20 1n33 s VAL 51 Ca 0.82 -0.32 -0.12 0.00 0.00 0.00 0.00 61.98 62.36 1n33 s VAL 51 Cb -0.21 -3.67 -0.07 0.00 0.00 0.00 0.00 36.38 32.43 1n33 s VAL 51 CO 0.30 -0.51 0.54 -0.47 0.00 0.00 0.00 175.10 174.96 1n33 s TYR 52 N -2.54 3.51 -0.12 5.22 5.04 -1.24 0.20 117.35 127.41 1n33 s TYR 52 Ca 0.46 0.95 0.20 0.00 -2.44 0.00 0.00 57.07 56.23 1n33 s TYR 52 Cb -0.10 -2.30 -0.26 0.00 0.35 0.00 0.00 41.96 39.65 1n33 s TYR 52 CO 0.39 0.35 0.40 0.09 -1.34 0.00 0.00 175.55 175.45 1n33 n ASN 53 N 0.34 0.18 0.00 4.32 5.03 -0.45 -4.90 115.26 119.78 1n33 n ASN 53 Ca -0.03 0.08 0.00 0.00 0.87 0.00 0.00 54.58 55.50 1n33 n ASN 53 Cb 0.52 1.25 0.00 0.00 -1.02 0.00 0.00 39.78 40.53 1n33 n ASN 53 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1n33 n GLY 54 N 1.47 1.17 0.00 7.41 0.00 -1.26 -4.63 105.19 109.34 1n33 n GLY 54 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1n33 n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1n33 n LYS 55 N 0.00 1.05 -4.41 1.61 4.81 -1.26 -5.14 118.16 114.83 1n33 n LYS 55 Ca 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.22 1n33 n LYS 55 Cb 0.00 -0.69 -0.09 0.00 0.02 0.00 0.00 35.03 34.28 1n33 n LYS 55 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1n33 s GLN 56 N -1.38 1.77 -0.46 1.64 -1.52 -1.26 -5.12 119.66 113.34 1n33 s GLN 56 Ca 0.00 -2.04 -0.05 0.00 -1.95 0.00 0.00 55.36 51.32 1n33 s GLN 56 Cb 0.00 -0.26 0.12 0.00 -0.22 0.00 0.00 33.01 32.65 1n33 s GLN 56 CO 0.00 -0.49 0.28 -1.01 -0.25 0.00 0.00 175.29 173.82 1n33 s HIS 57 N -3.40 3.53 -0.19 0.91 3.76 -1.26 -1.34 115.29 117.30 1n33 s HIS 57 Ca 0.32 -2.31 -0.20 0.00 -0.15 0.00 0.00 55.06 52.72 1n33 s HIS 57 Cb 0.04 -3.31 -0.03 0.00 1.11 0.00 0.00 32.58 30.39 1n33 s HIS 57 CO 0.18 -0.96 0.58 0.14 -0.85 0.00 0.00 174.74 173.82 1n33 s VAL 58 N 1.03 5.06 -0.75 -0.90 -7.23 0.52 -4.78 120.40 113.36 1n33 s VAL 58 Ca 0.09 1.08 -0.26 0.00 -1.81 0.00 0.00 61.98 61.08 1n33 s VAL 58 Cb -0.23 -3.90 -0.01 0.00 0.56 0.00 0.00 36.38 32.80 1n33 s VAL 58 CO -0.03 0.15 1.71 -2.16 -0.31 0.00 0.00 175.10 174.46 1n33 s PRO 59 N 1.74 2.83 -0.72 4.82 0.04 -1.26 -0.29 135.00 142.16 1n33 s PRO 59 Ca 0.27 0.05 -0.18 0.00 0.04 0.00 0.00 61.00 61.17 1n33 s PRO 59 Cb -0.16 -4.59 0.13 0.00 0.04 0.00 0.00 34.50 29.92 1n33 s PRO 59 CO 0.10 -2.69 0.84 0.08 0.04 0.00 0.00 177.00 175.37 1n33 s VAL 60 N 8.15 4.88 -0.54 -0.36 1.01 -1.24 -4.94 120.40 127.35 1n33 s VAL 60 Ca 0.59 -1.32 -0.27 0.00 0.00 0.00 0.00 61.98 60.98 1n33 s VAL 60 Cb -0.09 -4.58 -0.02 0.00 0.00 0.00 0.00 36.38 31.69 1n33 s VAL 60 CO 0.12 -1.24 1.87 -0.47 0.00 0.00 0.00 175.10 175.38 1n33 s TYR 61 N 2.41 1.68 0.80 5.22 6.04 -1.26 -3.57 117.35 128.66 1n33 s TYR 61 Ca 0.19 0.80 -0.12 0.00 0.04 0.00 0.00 57.07 57.98 1n33 s TYR 61 Cb -0.16 -4.07 0.08 0.00 -1.04 0.00 0.00 41.96 36.76 1n33 s TYR 61 CO 0.00 -2.44 1.14 -1.50 -1.54 0.00 0.00 175.55 171.22 1n33 s ILE 62 N 8.73 2.59 -0.12 3.14 1.10 -1.24 -5.05 121.20 130.35 1n33 s ILE 62 Ca 0.71 0.22 -0.28 0.00 -0.51 0.00 0.00 60.65 60.79 1n33 s ILE 62 Cb -0.15 -2.56 0.07 0.00 0.15 0.00 0.00 42.46 39.97 1n33 s ILE 62 CO 0.24 -0.22 0.67 -0.89 -2.11 0.00 0.00 174.94 172.63 1n33 s THR 63 N -2.52 0.00 0.09 4.00 2.01 -1.26 -4.10 115.64 113.86 1n33 s THR 63 Ca 0.67 -0.02 -0.18 0.00 0.31 0.00 0.00 61.69 62.47 1n33 s THR 63 Cb -0.23 -0.97 -0.04 0.00 0.01 0.00 0.00 72.50 71.27 1n33 s THR 63 CO 0.52 -0.01 0.92 1.21 -0.69 0.00 0.00 174.62 176.57 1n33 n GLU 64 N 1.51 -0.25 -0.28 4.92 4.07 -1.26 0.28 120.64 129.62 1n33 n GLU 64 Ca -0.17 0.90 0.09 0.00 -0.06 0.00 0.00 57.16 57.92 1n33 n GLU 64 Cb 0.56 -1.33 0.21 0.00 -0.06 0.00 0.00 31.44 30.83 1n33 n GLU 64 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 1n33 h ASN 65 N 0.00 -0.29 -0.44 4.31 2.35 -2.03 0.20 115.58 119.68 1n33 h ASN 65 Ca 0.09 0.21 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 1n33 h ASN 65 Cb 0.24 0.35 0.00 0.00 0.05 0.00 0.00 38.32 38.96 1n33 h ASN 65 CO -0.54 -0.20 0.00 1.15 -1.65 0.00 0.00 177.43 176.18 1n33 n MET 66 N -5.34 2.53 0.30 0.81 0.00 0.14 -4.44 117.12 111.12 1n33 n MET 66 Ca 0.17 -1.79 0.17 0.00 0.00 0.00 0.00 57.70 56.25 1n33 n MET 66 Cb 0.58 -1.56 0.95 0.00 0.00 0.00 0.00 33.22 33.19 1n33 n MET 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1n33 h VAL 67 N 2.68 0.36 0.00 3.17 2.07 -0.23 -2.27 116.25 122.03 1n33 h VAL 67 Ca 0.00 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1n33 h VAL 67 Cb 0.89 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1n33 h VAL 67 CO 0.10 0.03 -0.45 1.23 0.02 0.00 0.00 177.57 178.50 1n33 h GLY 68 N 0.29 0.00 -0.44 2.17 0.00 -1.80 -3.32 103.07 99.97 1n33 h GLY 68 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 1n33 h GLY 68 CO 0.00 0.00 0.06 1.42 0.00 0.00 0.00 176.54 178.02 1n33 n HIS 69 N -2.92 -3.43 -5.08 5.60 8.25 -0.86 -4.61 115.22 112.17 1n33 n HIS 69 Ca 0.02 -0.49 -0.32 0.00 -0.26 0.00 0.00 57.72 56.67 1n33 n HIS 69 Cb 0.54 -0.56 -0.15 0.00 1.12 0.00 0.00 29.99 30.95 1n33 n HIS 69 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1n33 s LYS 70 N -4.22 2.28 0.27 -0.41 1.02 -1.26 -2.86 119.74 114.55 1n33 s LYS 70 Ca 0.35 -0.83 -0.08 0.00 0.02 0.00 0.00 55.97 55.43 1n33 s LYS 70 Cb -0.03 -2.20 0.43 0.00 -0.52 0.00 0.00 37.83 35.51 1n33 s LYS 70 CO 0.27 0.59 1.51 1.28 -0.92 0.00 0.00 175.35 178.07 1n33 n LEU 71 N 2.33 -0.36 -0.35 3.17 4.77 -1.21 -1.25 117.00 124.09 1n33 n LEU 71 Ca -0.17 1.66 0.14 0.00 -0.03 0.00 0.00 56.01 57.62 1n33 n LEU 71 Cb 0.52 -0.50 0.33 0.00 -2.33 0.00 0.00 43.42 41.44 1n33 n LEU 71 CO 0.24 -1.59 1.18 1.23 -1.33 0.00 0.00 177.39 177.13 1n33 h GLY 72 N 0.00 1.81 1.49 -0.72 0.00 -1.70 -0.86 103.07 103.09 1n33 h GLY 72 Ca 0.46 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1n33 h GLY 72 CO -0.99 -0.11 0.00 1.18 0.00 0.00 0.00 176.54 176.62 1n33 n GLU 73 N -4.80 0.09 0.00 4.80 1.02 -0.38 -1.97 120.64 119.40 1n33 n GLU 73 Ca 0.24 0.20 0.02 0.00 -0.02 0.00 0.00 57.16 57.60 1n33 n GLU 73 Cb 0.61 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.52 1n33 n GLU 73 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1n33 n PHE 74 N -1.24 0.00 -3.68 -0.32 3.01 -0.33 -4.83 117.46 110.06 1n33 n PHE 74 Ca 0.03 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.11 1n33 n PHE 74 Cb 0.04 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.42 1n33 n PHE 74 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1n33 s ALA 75 N -0.98 3.58 -0.08 4.37 0.00 -0.83 -4.95 121.76 122.87 1n33 s ALA 75 Ca 0.03 -3.17 -0.31 0.00 0.00 0.00 0.00 51.96 48.51 1n33 s ALA 75 Cb 0.04 -2.73 -0.09 0.00 0.00 0.00 0.00 23.12 20.34 1n33 s ALA 75 CO 0.13 -2.08 2.04 -0.35 0.00 0.00 0.00 175.76 175.49 1n33 n PRO 76 N 3.69 2.38 0.00 0.00 -0.04 -1.26 -4.83 135.00 134.93 1n33 n PRO 76 Ca 0.07 0.81 0.00 0.00 -0.04 0.00 0.00 63.50 64.34 1n33 n PRO 76 Cb 0.39 -2.97 0.00 0.00 -0.04 0.00 0.00 33.50 30.88 1n33 n PRO 76 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1n33 n THR 77 N 6.20 0.00 -2.04 0.52 -1.04 -1.26 -4.85 114.28 111.80 1n33 n THR 77 Ca 0.25 0.85 -0.28 0.00 -2.04 0.00 0.00 64.05 62.83 1n33 n THR 77 Cb 0.39 -1.72 0.08 0.00 -1.82 0.00 0.00 70.33 67.26 1n33 n THR 77 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1n33 s ARG 78 N -0.82 2.02 0.12 -2.82 1.70 -1.26 -4.93 118.95 112.96 1n33 s ARG 78 Ca 0.00 -0.08 0.10 0.00 -0.47 0.00 0.00 55.73 55.28 1n33 s ARG 78 Cb 0.00 -2.05 -0.04 0.00 -0.57 0.00 0.00 34.95 32.29 1n33 s ARG 78 CO 0.00 -1.47 -0.22 0.99 -1.08 0.00 0.00 175.30 173.53 1n33 s THR 79 N -3.44 2.61 -0.29 4.99 2.01 -1.26 -5.14 115.64 115.12 1n33 s THR 79 Ca 0.62 -1.61 -0.16 0.00 0.31 0.00 0.00 61.69 60.84 1n33 s THR 79 Cb -0.11 -2.18 0.14 0.00 0.01 0.00 0.00 72.50 70.37 1n33 s THR 79 CO 0.47 0.09 0.97 -0.47 -0.69 0.00 0.00 174.62 175.00 1n33 s TYR 80 N -1.11 -0.58 0.00 4.92 5.04 -1.26 -5.31 117.35 119.04 1n33 s TYR 80 Ca 0.16 1.16 0.00 0.00 -2.44 0.00 0.00 57.07 55.96 1n33 s TYR 80 Cb -0.10 0.35 0.00 0.00 0.35 0.00 0.00 41.96 42.56 1n33 s TYR 80 CO 0.08 -0.29 0.00 -2.13 -1.34 0.00 0.00 175.55 171.88