#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n33 s ILE 4 N 0.00 0.09 -0.20 -0.18 1.09 -1.20 -4.50 121.20 116.30 1n33 s ILE 4 Ca 0.00 -0.67 -0.29 0.00 -1.10 0.00 0.00 60.65 58.59 1n33 s ILE 4 Cb 0.00 -0.96 -0.03 0.00 -1.06 0.00 0.00 42.46 40.40 1n33 s ILE 4 CO 0.00 -0.57 1.66 -0.13 -0.10 0.00 0.00 174.94 175.80 1n33 s ARG 5 N 2.03 3.79 -0.28 2.79 0.52 -1.09 -3.71 118.95 123.00 1n33 s ARG 5 Ca 0.07 1.74 0.00 0.00 -0.52 0.00 0.00 55.73 57.02 1n33 s ARG 5 Cb -0.16 -4.06 0.08 0.00 0.52 0.00 0.00 34.95 31.34 1n33 s ARG 5 CO -0.26 -1.30 0.04 0.96 0.02 0.00 0.00 175.30 174.75 1n33 s ILE 6 N 5.28 1.24 -0.65 1.52 -4.36 -1.26 -1.69 121.20 121.28 1n33 s ILE 6 Ca 0.74 -1.39 -0.15 0.00 -0.26 0.00 0.00 60.65 59.58 1n33 s ILE 6 Cb -0.26 -1.79 0.16 0.00 1.25 0.00 0.00 42.46 41.82 1n33 s ILE 6 CO 0.30 -0.44 0.60 -0.54 0.24 0.00 0.00 174.94 175.10 1n33 s LYS 7 N 1.47 3.21 -0.29 0.37 1.02 -1.05 -4.07 119.74 120.40 1n33 s LYS 7 Ca 0.04 -2.01 -0.26 0.00 0.02 0.00 0.00 55.97 53.76 1n33 s LYS 7 Cb -0.18 -4.34 0.01 0.00 -0.52 0.00 0.00 37.83 32.80 1n33 s LYS 7 CO -0.15 -1.31 0.92 -0.51 -0.92 0.00 0.00 175.35 173.38 1n33 s LEU 8 N 1.03 4.04 -0.16 3.17 1.02 0.42 -3.28 118.68 124.92 1n33 s LEU 8 Ca 0.09 0.94 -0.01 0.00 0.02 0.00 0.00 54.13 55.16 1n33 s LEU 8 Cb -0.22 -3.31 0.04 0.00 0.02 0.00 0.00 46.19 42.72 1n33 s LEU 8 CO -0.02 -0.70 -0.03 0.00 0.02 0.00 0.00 176.35 175.63 1n33 s ARG 9 N 3.20 1.17 0.36 1.70 1.70 -1.26 0.94 118.95 126.77 1n33 s ARG 9 Ca 0.39 -0.41 0.04 0.00 -0.47 0.00 0.00 55.73 55.27 1n33 s ARG 9 Cb -0.14 -1.88 -0.05 0.00 -0.57 0.00 0.00 34.95 32.31 1n33 s ARG 9 CO 0.12 -0.46 0.08 0.20 -1.08 0.00 0.00 175.30 174.16 1n33 s GLY 10 N 1.72 2.31 0.27 3.88 0.00 -1.16 -3.43 107.32 110.90 1n33 s GLY 10 Ca 0.01 -1.68 0.23 0.00 0.00 0.00 0.00 44.72 43.28 1n33 s GLY 10 CO -0.07 -1.85 1.32 0.74 0.00 0.00 0.00 173.10 173.24 1n33 h PHE 11 N 1.96 0.00 -4.30 1.90 0.05 -1.81 -1.68 116.94 113.06 1n33 h PHE 11 Ca -0.39 0.00 -0.55 0.00 3.82 0.00 0.00 57.97 60.85 1n33 h PHE 11 Cb 1.26 0.00 -0.29 0.00 2.00 0.00 0.00 35.95 38.91 1n33 h PHE 11 CO 0.94 0.00 -0.83 0.34 -0.18 0.00 0.00 178.31 178.58 1n33 s ASP 12 N -5.39 2.06 0.00 2.17 -1.08 -1.26 -4.64 116.67 108.52 1n33 s ASP 12 Ca 0.04 -0.32 0.10 0.00 -0.52 0.00 0.00 52.55 51.85 1n33 s ASP 12 Cb 0.09 -0.25 0.51 0.00 -1.46 0.00 0.00 42.92 41.81 1n33 s ASP 12 CO 0.73 0.21 1.18 0.00 0.52 0.00 0.00 175.17 177.81 1n33 n HIS 13 N 2.68 0.00 -0.01 -5.34 1.44 -1.26 -3.30 115.22 109.43 1n33 n HIS 13 Ca -0.15 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.55 1n33 n HIS 13 Cb 0.54 -0.25 -0.00 0.00 0.12 0.00 0.00 29.99 30.40 1n33 n HIS 13 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 1n33 n LYS 14 N -1.25 0.07 0.00 -1.40 4.81 -1.26 -4.00 118.16 115.13 1n33 n LYS 14 Ca 0.05 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 1n33 n LYS 14 Cb 0.07 -0.53 0.00 0.00 0.02 0.00 0.00 35.03 34.59 1n33 n LYS 14 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1n33 n THR 15 N -2.82 0.00 0.11 3.15 5.66 -1.25 0.70 114.28 119.82 1n33 n THR 15 Ca -0.02 1.14 -0.07 0.00 -3.05 0.00 0.00 64.05 62.05 1n33 n THR 15 Cb 0.07 -1.53 -0.04 0.00 -1.55 0.00 0.00 70.33 67.29 1n33 n THR 15 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 1n33 h LEU 16 N 0.00 -0.53 -1.34 1.09 7.12 -1.80 -2.53 115.31 117.32 1n33 h LEU 16 Ca 0.00 0.04 0.40 0.00 0.13 0.00 0.00 57.88 58.45 1n33 h LEU 16 Cb 0.00 0.18 -0.13 0.00 -0.53 0.00 0.00 40.66 40.18 1n33 h LEU 16 CO 0.00 -0.25 0.78 -0.78 -0.13 0.00 0.00 178.44 178.06 1n33 h ASP 17 N -0.38 0.30 0.71 1.25 1.82 -1.60 0.96 116.42 119.49 1n33 h ASP 17 Ca -0.02 0.14 -0.03 0.00 -0.39 0.00 0.00 57.03 56.72 1n33 h ASP 17 Cb 0.33 0.12 0.01 0.00 0.68 0.00 0.00 39.33 40.46 1n33 h ASP 17 CO -0.03 -0.15 -0.34 0.00 -1.61 0.00 0.00 179.24 177.11 1n33 h ALA 18 N 1.65 -0.95 0.00 -0.78 0.00 0.69 -1.99 119.26 117.87 1n33 h ALA 18 Ca 0.78 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.48 1n33 h ALA 18 Cb 2.31 0.37 0.00 0.00 0.00 0.00 0.00 17.79 20.47 1n33 h ALA 18 CO -0.44 -1.02 0.00 -1.13 0.00 0.00 0.00 179.25 176.66 1n33 n SER 19 N -5.49 0.73 -0.29 0.00 3.41 0.31 -1.52 113.62 110.77 1n33 n SER 19 Ca -0.14 -1.11 0.06 0.00 -0.26 0.00 0.00 58.87 57.42 1n33 n SER 19 Cb 0.39 -0.28 0.09 0.00 -0.26 0.00 0.00 64.21 64.15 1n33 n SER 19 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n33 n ALA 20 N 0.30 2.22 -0.51 7.33 0.00 -0.75 -4.17 120.51 124.93 1n33 n ALA 20 Ca 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 53.44 51.40 1n33 n ALA 20 Cb 0.16 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.18 1n33 n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n33 n GLN 21 N -0.84 -0.04 -0.10 0.00 10.64 -0.58 -4.68 117.38 121.78 1n33 n GLN 21 Ca 0.10 -0.42 -0.15 0.00 -1.83 0.00 0.00 57.00 54.70 1n33 n GLN 21 Cb 0.68 -0.75 -0.05 0.00 -0.86 0.00 0.00 30.24 29.26 1n33 n GLN 21 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1n33 n LYS 22 N -0.06 0.54 -0.35 2.61 5.02 -1.24 -3.96 118.16 120.73 1n33 n LYS 22 Ca 0.00 0.28 -0.05 0.00 -2.02 0.00 0.00 58.31 56.51 1n33 n LYS 22 Cb 0.18 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.65 1n33 n LYS 22 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1n33 n ILE 23 N -4.42 1.06 0.13 -0.18 5.41 -1.26 -1.80 119.36 118.30 1n33 n ILE 23 Ca -0.25 -0.55 0.00 0.00 1.00 0.00 0.00 62.75 62.95 1n33 n ILE 23 Cb 0.60 -1.70 0.00 0.00 -0.71 0.00 0.00 39.64 37.83 1n33 n ILE 23 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1n33 n VAL 24 N 3.11 0.00 -0.08 1.39 0.31 -1.26 -4.87 118.33 116.92 1n33 n VAL 24 Ca 0.16 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.42 1n33 n VAL 24 Cb 0.27 -0.05 0.00 0.00 -0.91 0.00 0.00 33.84 33.15 1n33 n VAL 24 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1n33 h GLU 25 N 0.00 0.12 -1.09 5.55 5.08 -1.48 1.33 114.58 124.08 1n33 h GLU 25 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1n33 h GLU 25 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1n33 h GLU 25 CO 0.00 0.08 0.00 0.00 -1.00 0.00 0.00 179.01 178.09 1n33 n ALA 26 N -2.41 2.04 -1.97 3.43 0.00 -1.00 -1.37 120.51 119.23 1n33 n ALA 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1n33 n ALA 26 Cb 0.15 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1n33 n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n33 n ALA 27 N 0.50 0.67 0.04 0.00 0.00 0.18 -4.23 120.51 117.66 1n33 n ALA 27 Ca 0.00 -0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.49 1n33 n ALA 27 Cb 0.25 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.62 1n33 n ALA 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1n33 n ARG 28 N 0.00 0.63 -0.12 0.00 1.74 0.40 -3.80 116.66 115.51 1n33 n ARG 28 Ca 0.00 0.06 -0.25 0.00 -0.77 0.00 0.00 57.85 56.89 1n33 n ARG 28 Cb 0.42 -1.72 -0.10 0.00 -1.02 0.00 0.00 32.46 30.04 1n33 n ARG 28 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1n33 n ARG 29 N -2.64 0.57 0.00 5.56 3.00 -1.25 -4.40 116.66 117.51 1n33 n ARG 29 Ca -0.07 0.36 0.01 0.00 -0.01 0.00 0.00 57.85 58.14 1n33 n ARG 29 Cb 0.69 -1.57 0.06 0.00 0.00 0.00 0.00 32.46 31.65 1n33 n ARG 29 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1n33 n SER 30 N -4.33 0.00 -0.36 0.55 3.41 -1.26 -4.87 113.62 106.76 1n33 n SER 30 Ca -0.44 -0.95 0.00 0.00 -0.26 0.00 0.00 58.87 57.22 1n33 n SER 30 Cb 0.78 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.73 1n33 n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n33 n GLY 31 N 0.01 1.05 3.56 5.00 0.00 -1.25 -4.11 105.19 109.45 1n33 n GLY 31 Ca 0.01 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 44.96 1n33 n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n33 n ALA 32 N -3.00 -0.54 0.19 4.61 0.00 -1.26 -4.70 120.51 115.82 1n33 n ALA 32 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1n33 n ALA 32 Cb 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.44 1n33 n ALA 32 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1n33 n GLN 33 N -1.07 0.16 -0.63 0.00 7.27 -1.26 -4.54 117.38 117.31 1n33 n GLN 33 Ca 0.12 0.00 0.09 0.00 0.07 0.00 0.00 57.00 57.28 1n33 n GLN 33 Cb 0.49 -1.07 -0.02 0.00 2.41 0.00 0.00 30.24 32.05 1n33 n GLN 33 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1n33 n VAL 34 N 0.25 0.00 -1.01 1.69 0.31 -1.26 -4.41 118.33 113.90 1n33 n VAL 34 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.42 1n33 n VAL 34 Cb 0.03 -0.22 0.21 0.00 -0.91 0.00 0.00 33.84 32.96 1n33 n VAL 34 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1n33 n SER 35 N -3.06 3.24 -1.36 4.52 7.64 0.84 -4.91 113.62 120.52 1n33 n SER 35 Ca 0.00 -3.03 0.16 0.00 1.01 0.00 0.00 58.87 57.02 1n33 n SER 35 Cb 0.29 -0.49 -0.07 0.00 -1.01 0.00 0.00 64.21 62.92 1n33 n SER 35 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1n33 n GLY 36 N -0.88 -2.66 3.64 0.23 0.00 -1.23 -4.62 105.19 99.67 1n33 n GLY 36 Ca 0.19 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 1n33 n GLY 36 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1n33 s PRO 37 N -3.82 4.09 -0.24 1.61 0.04 -1.26 -2.88 135.00 132.53 1n33 s PRO 37 Ca 0.00 0.96 -0.15 0.00 0.04 0.00 0.00 61.00 61.85 1n33 s PRO 37 Cb 0.00 -3.70 -0.04 0.00 0.04 0.00 0.00 34.50 30.80 1n33 s PRO 37 CO 0.00 -0.73 0.38 0.42 0.04 0.00 0.00 177.00 177.11 1n33 s ILE 38 N 3.24 5.19 0.06 0.56 1.01 -1.26 -4.69 121.20 125.30 1n33 s ILE 38 Ca 0.40 0.62 -0.31 0.00 0.00 0.00 0.00 60.65 61.36 1n33 s ILE 38 Cb -0.14 -3.71 -0.16 0.00 0.01 0.00 0.00 42.46 38.46 1n33 s ILE 38 CO 0.12 0.21 1.46 1.55 0.00 0.00 0.00 174.94 178.28 1n33 h PRO 39 N 7.77 -1.00 -1.61 2.79 0.13 -1.92 1.55 132.00 139.71 1n33 h PRO 39 Ca -0.34 0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1n33 h PRO 39 Cb 1.16 0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.52 1n33 h PRO 39 CO 0.68 -0.67 -0.38 -0.11 -0.23 0.00 0.00 178.00 177.30 1n33 n LEU 40 N -4.99 -3.24 -4.53 1.56 0.00 -1.26 -2.50 117.00 102.04 1n33 n LEU 40 Ca -0.13 1.29 -0.34 0.00 0.00 0.00 0.00 56.01 56.83 1n33 n LEU 40 Cb 0.42 -0.64 0.12 0.00 0.00 0.00 0.00 43.42 43.32 1n33 n LEU 40 CO 0.30 -0.15 0.27 -0.81 0.00 0.00 0.00 177.39 177.00 1n33 n PRO 41 N -0.30 -0.03 -3.56 1.96 -0.04 -1.26 -4.06 135.00 127.71 1n33 n PRO 41 Ca 0.00 0.05 -0.36 0.00 -0.04 0.00 0.00 63.50 63.15 1n33 n PRO 41 Cb 0.00 -2.07 -0.06 0.00 -0.04 0.00 0.00 33.50 31.33 1n33 n PRO 41 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1n33 s THR 42 N -2.23 5.09 -0.40 0.52 2.01 -1.26 -4.53 115.64 114.84 1n33 s THR 42 Ca 0.65 0.62 -0.13 0.00 0.31 0.00 0.00 61.69 63.13 1n33 s THR 42 Cb -0.27 -3.66 0.03 0.00 0.01 0.00 0.00 72.50 68.61 1n33 s THR 42 CO 0.59 0.44 0.27 -0.60 -0.69 0.00 0.00 174.62 174.64 1n33 s ARG 43 N -1.48 2.88 -0.15 4.92 3.52 -1.20 -4.94 118.95 122.50 1n33 s ARG 43 Ca 0.28 -1.12 -0.12 0.00 -0.13 0.00 0.00 55.73 54.64 1n33 s ARG 43 Cb -0.15 -3.89 -0.05 0.00 -1.56 0.00 0.00 34.95 29.30 1n33 s ARG 43 CO 0.15 -0.78 0.25 0.08 -0.81 0.00 0.00 175.30 174.19 1n33 s VAL 44 N 1.61 5.33 -0.33 7.11 1.01 -1.26 -3.27 120.40 130.59 1n33 s VAL 44 Ca 0.03 0.45 -0.10 0.00 0.00 0.00 0.00 61.98 62.37 1n33 s VAL 44 Cb -0.20 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.61 1n33 s VAL 44 CO 0.08 0.44 0.16 -0.13 0.00 0.00 0.00 175.10 175.65 1n33 s ARG 45 N 0.16 3.10 -0.09 2.72 1.81 -1.24 -4.96 118.95 120.45 1n33 s ARG 45 Ca 0.15 -0.88 -0.05 0.00 -1.72 0.00 0.00 55.73 53.23 1n33 s ARG 45 Cb -0.13 -3.59 -0.04 0.00 -0.45 0.00 0.00 34.95 30.74 1n33 s ARG 45 CO 0.03 -0.53 0.10 1.03 -0.68 0.00 0.00 175.30 175.26 1n33 s ARG 46 N 1.57 3.28 0.03 3.54 0.52 -1.26 -2.32 118.95 124.32 1n33 s ARG 46 Ca 0.03 -0.25 0.06 0.00 -0.52 0.00 0.00 55.73 55.06 1n33 s ARG 46 Cb -0.18 -3.05 -0.02 0.00 0.52 0.00 0.00 34.95 32.22 1n33 s ARG 46 CO 0.06 0.74 -0.18 -0.06 0.02 0.00 0.00 175.30 175.88 1n33 s PHE 47 N -1.02 1.55 -0.08 -0.53 0.40 0.41 -4.99 117.98 113.72 1n33 s PHE 47 Ca 0.16 -0.35 -0.04 0.00 -0.60 0.00 0.00 56.93 56.10 1n33 s PHE 47 Cb -0.12 -0.93 0.04 0.00 0.51 0.00 0.00 43.02 42.52 1n33 s PHE 47 CO 0.05 0.06 0.18 0.99 0.70 0.00 0.00 175.22 177.20 1n33 s THR 48 N -0.76 -0.04 -0.00 0.64 2.01 -1.26 -0.11 115.64 116.11 1n33 s THR 48 Ca 0.05 0.14 -0.00 0.00 0.31 0.00 0.00 61.69 62.19 1n33 s THR 48 Cb -0.08 -0.28 0.00 0.00 0.01 0.00 0.00 72.50 72.15 1n33 s THR 48 CO 0.01 0.06 0.01 -0.69 -0.69 0.00 0.00 174.62 173.31 1n33 s VAL 49 N 1.00 -0.01 -0.28 3.82 1.01 -0.97 -5.05 120.40 119.92 1n33 s VAL 49 Ca -0.08 0.02 -0.36 0.00 0.00 0.00 0.00 61.98 61.57 1n33 s VAL 49 Cb -0.09 -0.02 -0.12 0.00 0.00 0.00 0.00 36.38 36.15 1n33 s VAL 49 CO -0.06 0.01 2.06 -0.38 0.00 0.00 0.00 175.10 176.73 1n33 n ILE 50 N 3.17 0.29 -0.09 2.22 5.41 -1.26 -3.79 119.36 125.32 1n33 n ILE 50 Ca -0.13 -0.21 -0.02 0.00 1.00 0.00 0.00 62.75 63.39 1n33 n ILE 50 Cb 0.59 -1.66 -0.02 0.00 -0.71 0.00 0.00 39.64 37.84 1n33 n ILE 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1n33 n ARG 51 N 7.47 -0.09 -1.68 0.38 5.12 -1.26 -4.57 116.66 122.04 1n33 n ARG 51 Ca 0.35 0.71 -0.06 0.00 -1.93 0.00 0.00 57.85 56.92 1n33 n ARG 51 Cb 0.23 -1.06 0.02 0.00 -1.16 0.00 0.00 32.46 30.50 1n33 n ARG 51 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1n33 n GLY 52 N -1.05 2.07 3.95 -0.13 0.00 -1.26 -5.02 105.19 103.75 1n33 n GLY 52 Ca 0.00 -2.17 -0.21 0.00 0.00 0.00 0.00 46.02 43.65 1n33 n GLY 52 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1n33 s PRO 53 N -2.79 3.29 0.24 1.61 0.04 -1.26 -4.95 135.00 131.18 1n33 s PRO 53 Ca 0.17 -0.86 0.00 0.00 0.04 0.00 0.00 61.00 60.36 1n33 s PRO 53 Cb -0.01 -2.82 0.00 0.00 0.04 0.00 0.00 34.50 31.71 1n33 s PRO 53 CO 0.11 0.36 0.00 0.34 0.04 0.00 0.00 177.00 177.85 1n33 n PHE 54 N -1.41 -4.91 -0.19 0.56 7.35 -1.26 -4.85 117.46 112.74 1n33 n PHE 54 Ca -0.07 2.88 0.00 0.00 -0.76 0.00 0.00 57.45 59.49 1n33 n PHE 54 Cb 0.57 -3.61 0.00 0.00 0.35 0.00 0.00 39.48 36.80 1n33 n PHE 54 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 1n33 n LYS 55 N 1.67 0.00 -2.94 -4.13 2.85 -1.26 -4.86 118.16 109.49 1n33 n LYS 55 Ca 0.00 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.11 1n33 n LYS 55 Cb 0.00 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 34.42 1n33 n LYS 55 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1n33 n HIS 56 N -0.03 -1.53 0.59 5.58 8.25 -1.26 -4.88 115.22 121.94 1n33 n HIS 56 Ca 0.00 0.47 0.05 0.00 -0.26 0.00 0.00 57.72 57.98 1n33 n HIS 56 Cb 0.00 -3.42 0.29 0.00 1.12 0.00 0.00 29.99 27.97 1n33 n HIS 56 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1n33 n LYS 57 N -3.10 0.27 -2.17 -0.41 -0.00 -1.26 -3.63 118.16 107.85 1n33 n LYS 57 Ca -0.04 0.05 -0.40 0.00 -0.00 0.00 0.00 58.31 57.93 1n33 n LYS 57 Cb 0.56 -1.50 0.03 0.00 -0.00 0.00 0.00 35.03 34.12 1n33 n LYS 57 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1n33 n ASP 58 N -1.08 7.34 0.00 -5.58 8.00 -1.26 -4.62 116.55 119.35 1n33 n ASP 58 Ca 0.07 -3.79 0.00 0.00 0.71 0.00 0.00 54.79 51.78 1n33 n ASP 58 Cb 0.05 -1.07 0.00 0.00 -0.02 0.00 0.00 41.12 40.08 1n33 n ASP 58 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1n33 n SER 59 N -0.39 0.00 0.00 -2.24 3.41 -1.24 -5.10 113.62 108.06 1n33 n SER 59 Ca 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 1n33 n SER 59 Cb 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 1n33 n SER 59 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1n33 n ARG 60 N -1.28 0.00 -1.80 4.33 3.00 -1.25 -4.81 116.66 114.85 1n33 n ARG 60 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1n33 n ARG 60 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1n33 n ARG 60 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1n33 n GLU 61 N 0.00 -4.65 -4.52 5.56 2.13 -1.26 -2.29 120.64 115.61 1n33 n GLU 61 Ca 0.00 3.40 -0.33 0.00 0.66 0.00 0.00 57.16 60.89 1n33 n GLU 61 Cb 0.00 -3.83 -0.11 0.00 0.27 0.00 0.00 31.44 27.77 1n33 n GLU 61 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1n33 s HIS 62 N -2.55 2.90 -0.04 4.31 3.76 -1.26 -3.07 115.29 119.35 1n33 s HIS 62 Ca 0.00 -0.02 0.02 0.00 -0.15 0.00 0.00 55.06 54.91 1n33 s HIS 62 Cb 0.00 -1.65 0.01 0.00 1.11 0.00 0.00 32.58 32.06 1n33 s HIS 62 CO 0.00 0.36 -0.08 -0.06 -0.85 0.00 0.00 174.74 174.11 1n33 s PHE 63 N -0.93 0.94 0.00 1.40 2.99 0.84 -5.01 117.98 118.21 1n33 s PHE 63 Ca 0.15 -0.27 0.00 0.00 0.00 0.00 0.00 56.93 56.82 1n33 s PHE 63 Cb -0.11 -0.72 0.00 0.00 0.00 0.00 0.00 43.02 42.19 1n33 s PHE 63 CO 0.05 -0.16 0.00 -0.85 -0.00 0.00 0.00 175.22 174.26 1n33 n GLU 64 N 3.64 3.49 -2.65 0.44 0.28 -1.26 0.16 120.64 124.74 1n33 n GLU 64 Ca -0.22 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.75 1n33 n GLU 64 Cb 0.53 0.00 0.09 0.00 1.43 0.00 0.00 31.44 33.49 1n33 n GLU 64 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1n33 n LEU 65 N 0.00 -1.00 -4.65 -1.84 0.00 -0.98 -4.77 117.00 103.76 1n33 n LEU 65 Ca 0.00 -1.51 -0.43 0.00 0.00 0.00 0.00 56.01 54.08 1n33 n LEU 65 Cb 0.00 0.67 -0.03 0.00 0.00 0.00 0.00 43.42 44.07 1n33 n LEU 65 CO 0.00 1.50 1.34 0.00 0.00 0.00 0.00 177.39 180.23 1n33 s ARG 66 N 0.00 4.02 -0.57 1.96 1.70 -1.26 -3.61 118.95 121.20 1n33 s ARG 66 Ca 0.23 1.92 -0.11 0.00 -0.47 0.00 0.00 55.73 57.30 1n33 s ARG 66 Cb 0.23 -3.98 0.14 0.00 -0.57 0.00 0.00 34.95 30.78 1n33 s ARG 66 CO -0.11 -1.02 0.47 0.99 -1.08 0.00 0.00 175.30 174.55 1n33 s THR 67 N 4.48 4.61 0.86 4.99 2.01 -1.20 -4.56 115.64 126.83 1n33 s THR 67 Ca 0.71 -1.99 -0.11 0.00 0.31 0.00 0.00 61.69 60.60 1n33 s THR 67 Cb -0.29 -3.98 0.11 0.00 0.01 0.00 0.00 72.50 68.36 1n33 s THR 67 CO 0.28 -0.85 1.09 -1.00 -0.69 0.00 0.00 174.62 173.44 1n33 s HIS 68 N 1.02 2.35 0.20 4.92 0.09 -0.63 -3.21 115.29 120.02 1n33 s HIS 68 Ca 0.09 1.37 0.05 0.00 -0.00 0.00 0.00 55.06 56.57 1n33 s HIS 68 Cb -0.23 -3.13 -0.05 0.00 -0.00 0.00 0.00 32.58 29.17 1n33 s HIS 68 CO -0.02 -2.26 -0.08 -0.80 -0.00 0.00 0.00 174.74 171.58 1n33 s ASN 69 N -3.36 2.14 -0.01 1.40 0.01 -1.25 -3.01 114.94 110.86 1n33 s ASN 69 Ca 0.63 -1.09 -0.28 0.00 -0.71 0.00 0.00 52.86 51.41 1n33 s ASN 69 Cb -0.18 -0.06 0.06 0.00 0.41 0.00 0.00 41.25 41.48 1n33 s ASN 69 CO 0.57 -0.34 0.62 -0.13 -1.51 0.00 0.00 177.10 176.32 1n33 s ARG 70 N -3.75 1.06 0.00 -0.60 1.81 0.27 -4.42 118.95 113.32 1n33 s ARG 70 Ca 0.23 0.07 0.00 0.00 -1.72 0.00 0.00 55.73 54.31 1n33 s ARG 70 Cb 0.03 0.49 0.00 0.00 -0.45 0.00 0.00 34.95 35.02 1n33 s ARG 70 CO 0.06 -0.36 0.00 1.28 -0.68 0.00 0.00 175.30 175.60 1n33 n LEU 71 N 0.70 0.00 0.00 2.53 4.77 0.53 -0.44 117.00 125.09 1n33 n LEU 71 Ca -0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 1n33 n LEU 71 Cb 0.58 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 1n33 n LEU 71 CO 0.22 0.00 0.00 0.52 -1.33 0.00 0.00 177.39 176.80 1n33 n VAL 72 N 0.00 0.00 -1.86 4.08 0.31 -1.14 -4.51 118.33 115.21 1n33 n VAL 72 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1n33 n VAL 72 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1n33 n VAL 72 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1n33 n ASP 73 N 3.65 -9.11 -2.33 4.52 9.92 -1.26 -3.20 116.55 118.74 1n33 n ASP 73 Ca 0.00 1.36 -0.05 0.00 -0.53 0.00 0.00 54.79 55.57 1n33 n ASP 73 Cb 0.00 -5.11 -0.01 0.00 -0.64 0.00 0.00 41.12 35.36 1n33 n ASP 73 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1n33 n ILE 74 N 0.16 0.00 -4.01 0.53 5.41 -1.24 -0.11 119.36 120.09 1n33 n ILE 74 Ca 0.00 -0.36 -0.31 0.00 1.00 0.00 0.00 62.75 63.08 1n33 n ILE 74 Cb 0.00 0.08 -0.16 0.00 -0.71 0.00 0.00 39.64 38.85 1n33 n ILE 74 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1n33 s ILE 75 N -1.34 1.69 0.04 1.39 1.01 -1.26 -2.59 121.20 120.14 1n33 s ILE 75 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.67 1n33 s ILE 75 Cb 0.00 -1.72 0.00 0.00 0.01 0.00 0.00 42.46 40.75 1n33 s ILE 75 CO 0.00 0.23 0.00 0.59 0.00 0.00 0.00 174.94 175.76 1n33 n ASN 76 N 4.68 -6.53 -4.51 3.58 3.02 -1.26 -3.98 115.26 110.25 1n33 n ASN 76 Ca -0.15 1.07 -0.12 0.00 -0.03 0.00 0.00 54.58 55.34 1n33 n ASN 76 Cb 0.47 -3.54 -0.10 0.00 -0.61 0.00 0.00 39.78 36.00 1n33 n ASN 76 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1n33 n PRO 77 N 1.12 0.15 0.11 3.52 -0.04 -1.26 -4.67 135.00 133.92 1n33 n PRO 77 Ca 0.00 -1.34 0.01 0.00 -0.04 0.00 0.00 63.50 62.14 1n33 n PRO 77 Cb 0.00 -3.49 0.07 0.00 -0.04 0.00 0.00 33.50 30.03 1n33 n PRO 77 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1n33 n ASN 78 N 17.70 0.06 0.00 3.54 3.02 -1.26 -4.71 115.26 133.62 1n33 n ASN 78 Ca 0.38 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 55.18 1n33 n ASN 78 Cb 0.46 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.51 1n33 n ASN 78 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1n33 n ARG 79 N -1.59 0.00 -0.00 3.52 0.00 -1.26 -4.25 116.66 113.07 1n33 n ARG 79 Ca -0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.85 57.94 1n33 n ARG 79 Cb 0.56 -1.45 -0.11 0.00 0.00 0.00 0.00 32.46 31.46 1n33 n ARG 79 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1n33 n LYS 80 N -0.06 0.65 0.00 -0.14 3.00 -1.26 -4.32 118.16 116.04 1n33 n LYS 80 Ca 0.00 -0.02 -0.18 0.00 -0.00 0.00 0.00 58.31 58.11 1n33 n LYS 80 Cb 0.00 -1.41 -0.14 0.00 0.00 0.00 0.00 35.03 33.48 1n33 n LYS 80 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1n33 h THR 81 N 0.00 1.60 0.00 3.15 2.02 -1.74 -3.21 112.91 114.73 1n33 h THR 81 Ca 0.00 -2.40 0.00 0.00 0.77 0.00 0.00 66.41 64.78 1n33 h THR 81 Cb 0.51 3.18 0.00 0.00 -1.74 0.00 0.00 68.15 70.10 1n33 h THR 81 CO 0.00 0.66 0.57 0.40 0.37 0.00 0.00 175.52 177.53 1n33 h ILE 82 N -0.55 0.00 0.34 3.11 5.03 -1.88 0.18 117.51 123.74 1n33 h ILE 82 Ca -0.09 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.64 1n33 h ILE 82 Cb 1.37 0.28 0.00 0.00 -3.03 0.00 0.00 36.82 35.45 1n33 h ILE 82 CO 0.10 0.00 -0.16 -0.33 -0.68 0.00 0.00 178.15 177.07 1n33 h GLU 83 N 0.00 -0.44 0.00 2.37 4.39 -1.78 1.55 114.58 120.68 1n33 h GLU 83 Ca 0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1n33 h GLU 83 Cb 1.15 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1n33 h GLU 83 CO 0.00 -0.15 0.00 1.04 -1.16 0.00 0.00 179.01 178.74 1n33 n GLN 84 N -5.09 0.12 0.00 2.33 6.02 0.59 -4.04 117.38 117.31 1n33 n GLN 84 Ca -0.08 0.54 0.00 0.00 -0.01 0.00 0.00 57.00 57.45 1n33 n GLN 84 Cb 0.25 -1.84 0.00 0.00 1.02 0.00 0.00 30.24 29.67 1n33 n GLN 84 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1n33 n LEU 85 N -2.09 0.00 0.00 1.08 4.77 -0.95 -4.84 117.00 114.98 1n33 n LEU 85 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1n33 n LEU 85 Cb 0.09 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1n33 n LEU 85 CO 0.11 0.00 0.00 0.80 -1.33 0.00 0.00 177.39 176.97 1n33 n MET 86 N -0.91 0.00 -2.91 3.23 1.56 0.53 -1.22 117.12 117.40 1n33 n MET 86 Ca 0.00 0.00 -0.13 0.00 -0.27 0.00 0.00 57.70 57.30 1n33 n MET 86 Cb 0.00 0.00 0.04 0.00 2.15 0.00 0.00 33.22 35.41 1n33 n MET 86 CO 0.00 0.00 0.00 2.41 -0.73 0.00 0.00 175.97 177.65 1n33 n THR 87 N 0.00 -0.08 -1.02 1.12 -1.04 -1.26 -4.93 114.28 107.06 1n33 n THR 87 Ca 0.00 -2.66 0.09 0.00 -2.04 0.00 0.00 64.05 59.44 1n33 n THR 87 Cb 0.00 0.77 0.23 0.00 -1.82 0.00 0.00 70.33 69.51 1n33 n THR 87 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1n33 n LEU 88 N 0.44 3.55 0.00 -4.42 4.77 -0.36 -5.04 117.00 115.94 1n33 n LEU 88 Ca 0.13 -3.05 -0.09 0.00 -0.03 0.00 0.00 56.01 52.97 1n33 n LEU 88 Cb 0.68 -0.52 0.09 0.00 -2.33 0.00 0.00 43.42 41.33 1n33 n LEU 88 CO 0.10 0.69 0.12 0.47 -1.33 0.00 0.00 177.39 177.45 1n33 n ASP 89 N -0.73 -2.33 0.00 -1.43 8.00 -1.26 -5.03 116.55 113.76 1n33 n ASP 89 Ca 0.20 -0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.33 1n33 n ASP 89 Cb 0.84 -0.30 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 1n33 n ASP 89 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n33 n LEU 90 N 0.00 0.00 -4.76 0.64 -0.00 -1.26 -5.15 117.00 106.48 1n33 n LEU 90 Ca 0.04 0.00 -0.35 0.00 -0.00 0.00 0.00 56.01 55.70 1n33 n LEU 90 Cb 0.18 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 43.64 1n33 n LEU 90 CO 0.12 0.00 0.80 -2.16 -0.00 0.00 0.00 177.39 176.15 1n33 s PRO 91 N -0.90 2.87 -0.00 1.47 0.04 -1.26 -4.97 135.00 132.25 1n33 s PRO 91 Ca 0.00 1.69 0.04 0.00 0.04 0.00 0.00 61.00 62.77 1n33 s PRO 91 Cb 0.00 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.56 1n33 s PRO 91 CO 0.00 -1.25 0.12 -2.37 0.04 0.00 0.00 177.00 173.53 1n33 n THR 92 N -1.88 0.00 -1.07 1.26 5.66 -1.26 -4.70 114.28 112.30 1n33 n THR 92 Ca 0.13 -0.21 -0.23 0.00 -3.05 0.00 0.00 64.05 60.68 1n33 n THR 92 Cb 0.50 0.64 0.05 0.00 -1.55 0.00 0.00 70.33 69.97 1n33 n THR 92 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1n33 n GLY 93 N 1.82 4.73 3.44 1.09 0.00 -1.26 -4.89 105.19 110.11 1n33 n GLY 93 Ca -0.00 -1.55 -0.11 0.00 0.00 0.00 0.00 46.02 44.36 1n33 n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n33 s VAL 94 N -3.18 0.00 -0.40 1.61 1.01 -1.26 -4.22 120.40 113.95 1n33 s VAL 94 Ca 0.44 -1.65 0.04 0.00 0.00 0.00 0.00 61.98 60.80 1n33 s VAL 94 Cb 0.34 -2.39 0.18 0.00 0.00 0.00 0.00 36.38 34.51 1n33 s VAL 94 CO -0.02 0.00 0.75 -0.70 0.00 0.00 0.00 175.10 175.13 1n33 s GLU 95 N -3.85 0.70 -0.11 2.72 2.12 -1.22 -5.04 118.70 114.01 1n33 s GLU 95 Ca 0.30 -0.33 -0.12 0.00 0.36 0.00 0.00 54.97 55.18 1n33 s GLU 95 Cb 0.02 0.06 -0.05 0.00 0.26 0.00 0.00 34.13 34.42 1n33 s GLU 95 CO 0.13 -0.97 0.27 0.42 -0.54 0.00 0.00 175.26 174.57 1n33 s ILE 96 N 1.70 5.29 0.39 -3.70 1.09 -1.26 -4.13 121.20 120.58 1n33 s ILE 96 Ca 0.18 0.52 0.08 0.00 -1.10 0.00 0.00 60.65 60.32 1n33 s ILE 96 Cb -0.01 -3.58 -0.04 0.00 -1.06 0.00 0.00 42.46 37.77 1n33 s ILE 96 CO -0.09 0.50 0.26 -1.61 -0.10 0.00 0.00 174.94 173.91 1n33 s GLU 97 N -0.35 2.43 0.16 2.79 0.41 -1.21 -4.97 118.70 117.96 1n33 s GLU 97 Ca 0.18 -1.61 -0.04 0.00 -0.41 0.00 0.00 54.97 53.09 1n33 s GLU 97 Cb -0.14 -2.23 -0.03 0.00 -1.78 0.00 0.00 34.13 29.96 1n33 s GLU 97 CO 0.06 -0.08 0.15 0.96 -0.49 0.00 0.00 175.26 175.86 1n33 s ILE 98 N -2.49 0.07 0.00 -1.63 -5.25 -1.26 -2.54 121.20 108.11 1n33 s ILE 98 Ca 0.43 -1.75 0.00 0.00 -0.99 0.00 0.00 60.65 58.34 1n33 s ILE 98 Cb -0.01 -2.06 0.00 0.00 2.95 0.00 0.00 42.46 43.34 1n33 s ILE 98 CO 0.25 -0.33 0.00 1.17 -1.79 0.00 0.00 174.94 174.24 1n33 n LYS 99 N -0.17 0.00 0.00 0.37 4.81 -0.68 -5.01 118.16 117.48 1n33 n LYS 99 Ca -0.05 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.45 1n33 n LYS 99 Cb 0.64 0.00 0.34 0.00 0.02 0.00 0.00 35.03 36.03 1n33 n LYS 99 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98