#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b33 s ARG 2 N 0.00 4.49 -0.01 1.61 0.52 -1.26 -4.86 118.95 119.44 1b33 s ARG 2 Ca 0.00 1.96 0.02 0.00 -0.52 0.00 0.00 55.73 57.19 1b33 s ARG 2 Cb 0.00 -3.18 0.00 0.00 0.52 0.00 0.00 34.95 32.29 1b33 s ARG 2 CO 0.00 -0.06 -0.06 -0.51 0.02 0.00 0.00 175.30 174.69 1b33 s LEU 3 N -0.85 1.89 -0.10 2.53 1.02 -1.26 -1.04 118.68 120.86 1b33 s LEU 3 Ca 0.50 -0.11 -0.06 0.00 0.02 0.00 0.00 54.13 54.48 1b33 s LEU 3 Cb -0.35 -0.34 -0.04 0.00 0.02 0.00 0.00 46.19 45.49 1b33 s LEU 3 CO 0.41 0.05 0.13 -0.36 0.02 0.00 0.00 176.35 176.61 1b33 s PHE 4 N 0.04 3.55 -0.34 0.29 0.08 0.06 0.10 117.98 121.76 1b33 s PHE 4 Ca -0.00 0.48 -0.06 0.00 0.12 0.00 0.00 56.93 57.47 1b33 s PHE 4 Cb -0.05 -1.91 0.05 0.00 -0.57 0.00 0.00 43.02 40.54 1b33 s PHE 4 CO -0.00 0.70 0.11 0.21 -0.10 0.00 0.00 175.22 176.14 1b33 s LYS 5 N -1.16 2.54 0.22 0.44 2.47 0.43 -0.45 119.74 124.24 1b33 s LYS 5 Ca 0.17 -1.26 0.12 0.00 -1.56 0.00 0.00 55.97 53.43 1b33 s LYS 5 Cb -0.12 -3.45 -0.05 0.00 -1.46 0.00 0.00 37.83 32.75 1b33 s LYS 5 CO 0.06 -0.71 -0.23 0.96 0.16 0.00 0.00 175.35 175.59 1b33 s ILE 6 N 1.36 2.39 -0.02 5.43 -5.25 -0.08 -1.04 121.20 123.99 1b33 s ILE 6 Ca -0.01 -2.16 0.00 0.00 -0.99 0.00 0.00 60.65 57.49 1b33 s ILE 6 Cb -0.20 -2.18 0.02 0.00 2.95 0.00 0.00 42.46 43.05 1b33 s ILE 6 CO 0.02 -0.21 -0.00 -0.89 -1.79 0.00 0.00 174.94 172.06 1b33 s THR 7 N -1.96 0.15 0.22 8.37 2.01 -0.26 -0.38 115.64 123.78 1b33 s THR 7 Ca 0.24 0.06 -0.11 0.00 0.31 0.00 0.00 61.69 62.19 1b33 s THR 7 Cb -0.07 -0.22 -0.01 0.00 0.01 0.00 0.00 72.50 72.21 1b33 s THR 7 CO 0.12 0.11 0.40 0.00 -0.69 0.00 0.00 174.62 174.56 1b33 s ALA 8 N 0.76 -0.06 -0.08 7.40 0.00 -0.50 -0.75 121.76 128.53 1b33 s ALA 8 Ca -0.07 -0.94 -0.00 0.00 0.00 0.00 0.00 51.96 50.95 1b33 s ALA 8 Cb -0.10 1.05 0.02 0.00 0.00 0.00 0.00 23.12 24.09 1b33 s ALA 8 CO -0.01 -0.77 -0.05 0.00 0.00 0.00 0.00 175.76 174.92 1b33 s VAL 10 N 1.52 2.24 0.79 0.00 1.01 -0.15 0.36 120.40 126.16 1b33 s VAL 10 Ca -0.00 -1.03 -0.10 0.00 0.00 0.00 0.00 61.98 60.84 1b33 s VAL 10 Cb -0.13 -2.03 0.18 0.00 0.00 0.00 0.00 36.38 34.40 1b33 s VAL 10 CO -0.04 0.41 1.07 -0.81 0.00 0.00 0.00 175.10 175.73 1b33 n PRO 11 N 4.61 -0.82 -3.77 2.72 -0.04 -1.26 -4.50 135.00 131.94 1b33 n PRO 11 Ca -0.19 -1.94 -0.37 0.00 -0.04 0.00 0.00 63.50 60.95 1b33 n PRO 11 Cb 0.49 -1.01 -0.13 0.00 -0.04 0.00 0.00 33.50 32.80 1b33 n PRO 11 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1b33 s SER 12 N -5.02 5.13 -0.01 3.54 0.15 -1.26 -4.93 113.70 111.29 1b33 s SER 12 Ca 0.63 -0.88 0.16 0.00 0.70 0.00 0.00 55.95 56.56 1b33 s SER 12 Cb -0.02 -1.86 -0.19 0.00 -1.71 0.00 0.00 66.02 62.24 1b33 s SER 12 CO 0.44 -0.23 0.59 0.00 1.20 0.00 0.00 173.24 175.23 1b33 n GLN 13 N 4.83 1.49 -0.07 5.44 10.64 -1.26 -4.78 117.38 133.66 1b33 n GLN 13 Ca -0.14 -0.04 -0.09 0.00 -1.83 0.00 0.00 57.00 54.90 1b33 n GLN 13 Cb 0.47 -1.28 -0.07 0.00 -0.86 0.00 0.00 30.24 28.50 1b33 n GLN 13 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 1b33 n THR 14 N -1.54 0.83 -3.95 -0.39 -2.24 -1.26 -5.09 114.28 100.64 1b33 n THR 14 Ca 0.01 -0.36 -0.09 0.00 -2.27 0.00 0.00 64.05 61.34 1b33 n THR 14 Cb 0.29 -0.94 -0.10 0.00 -2.10 0.00 0.00 70.33 67.48 1b33 n THR 14 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1b33 s ARG 15 N -2.29 0.56 -1.05 -0.78 3.52 -1.26 -5.08 118.95 112.56 1b33 s ARG 15 Ca -0.17 -0.78 -0.19 0.00 -0.13 0.00 0.00 55.73 54.46 1b33 s ARG 15 Cb 0.05 0.21 0.11 0.00 -1.56 0.00 0.00 34.95 33.76 1b33 s ARG 15 CO 0.37 -0.13 1.35 0.42 -0.81 0.00 0.00 175.30 176.50 1b33 s ILE 16 N -2.60 4.47 0.06 4.11 -1.09 -1.26 -4.93 121.20 119.96 1b33 s ILE 16 Ca -0.05 -1.57 -0.31 0.00 -2.23 0.00 0.00 60.65 56.50 1b33 s ILE 16 Cb -0.01 -4.94 -0.08 0.00 -1.58 0.00 0.00 42.46 35.85 1b33 s ILE 16 CO -0.05 -1.72 1.68 -0.13 -1.23 0.00 0.00 174.94 173.49 1b33 s ARG 17 N 3.36 4.19 0.03 2.79 0.52 -1.26 -4.92 118.95 123.66 1b33 s ARG 17 Ca 0.41 2.36 0.23 0.00 -0.52 0.00 0.00 55.73 58.21 1b33 s ARG 17 Cb -0.02 -3.65 0.03 0.00 0.52 0.00 0.00 34.95 31.83 1b33 s ARG 17 CO -0.06 -0.76 1.02 -2.37 0.02 0.00 0.00 175.30 173.15 1b33 n THR 18 N 4.81 0.10 -3.25 0.02 5.66 -1.26 -4.93 114.28 115.43 1b33 n THR 18 Ca 0.16 -0.17 -0.31 0.00 -3.05 0.00 0.00 64.05 60.67 1b33 n THR 18 Cb 0.40 0.37 -0.05 0.00 -1.55 0.00 0.00 70.33 69.50 1b33 n THR 18 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 1b33 s GLN 19 N -3.15 3.83 -0.56 1.09 -0.44 -1.26 -4.95 119.66 114.22 1b33 s GLN 19 Ca 0.05 0.37 -0.29 0.00 -2.50 0.00 0.00 55.36 52.99 1b33 s GLN 19 Cb 0.15 -2.55 -0.11 0.00 -1.64 0.00 0.00 33.01 28.86 1b33 s GLN 19 CO 0.81 0.21 2.43 -2.13 0.50 0.00 0.00 175.29 177.10 1b33 n ARG 20 N -0.49 0.88 0.00 1.67 0.63 -1.26 -4.76 116.66 113.34 1b33 n ARG 20 Ca 0.01 0.09 0.07 0.00 -0.92 0.00 0.00 57.85 57.10 1b33 n ARG 20 Cb 0.53 -2.83 0.04 0.00 0.45 0.00 0.00 32.46 30.65 1b33 n ARG 20 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1b33 n GLU 21 N 8.74 1.26 0.13 -0.14 4.07 -1.26 -4.55 120.64 128.89 1b33 n GLU 21 Ca 0.44 -1.15 0.17 0.00 -0.06 0.00 0.00 57.16 56.55 1b33 n GLU 21 Cb 0.37 -1.25 0.73 0.00 -0.06 0.00 0.00 31.44 31.23 1b33 n GLU 21 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1b33 h LEU 22 N 2.39 0.00 -0.76 4.31 5.85 -1.98 0.23 115.31 125.36 1b33 h LEU 22 Ca 0.00 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.59 1b33 h LEU 22 Cb 0.55 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 1b33 h LEU 22 CO 0.00 0.00 -0.62 1.56 -0.34 0.00 0.00 178.44 179.04 1b33 h GLN 23 N 0.00 0.01 -0.00 1.25 4.20 -1.87 -3.02 115.11 115.69 1b33 h GLN 23 Ca 0.14 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1b33 h GLN 23 Cb 0.62 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.40 1b33 h GLN 23 CO -0.00 0.62 -0.70 0.09 -0.67 0.00 0.00 178.83 178.18 1b33 n ASN 24 N -3.81 0.90 -0.02 1.46 3.02 0.59 -4.58 115.26 112.81 1b33 n ASN 24 Ca -0.01 -0.74 -0.01 0.00 -0.03 0.00 0.00 54.58 53.79 1b33 n ASN 24 Cb 0.62 0.59 -0.00 0.00 -0.61 0.00 0.00 39.78 40.37 1b33 n ASN 24 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1b33 h THR 25 N 0.31 0.00 -3.74 3.41 2.02 -0.77 -3.43 112.91 110.72 1b33 h THR 25 Ca 0.00 -0.39 -0.63 0.00 0.77 0.00 0.00 66.41 66.16 1b33 h THR 25 Cb 0.52 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.76 1b33 h THR 25 CO 0.00 0.00 -0.53 -0.47 0.37 0.00 0.00 175.52 174.89 1b33 s TYR 26 N -1.32 3.23 0.07 3.16 5.04 -1.17 -0.98 117.35 125.38 1b33 s TYR 26 Ca -0.02 0.08 -0.05 0.00 -2.44 0.00 0.00 57.07 54.64 1b33 s TYR 26 Cb 0.00 -2.31 -0.02 0.00 0.35 0.00 0.00 41.96 39.98 1b33 s TYR 26 CO 0.03 -0.10 0.09 -0.59 -1.34 0.00 0.00 175.55 173.65 1b33 s PHE 27 N 1.45 0.32 -0.04 4.97 -0.12 -0.58 -4.79 117.98 119.20 1b33 s PHE 27 Ca 0.07 -0.80 0.01 0.00 -0.05 0.00 0.00 56.93 56.16 1b33 s PHE 27 Cb -0.15 -0.21 0.02 0.00 -0.63 0.00 0.00 43.02 42.06 1b33 s PHE 27 CO 0.07 -0.47 -0.03 0.99 -0.05 0.00 0.00 175.22 175.73 1b33 s THR 28 N -3.89 0.40 0.14 -4.49 2.01 -1.26 -1.40 115.64 107.15 1b33 s THR 28 Ca 0.06 -0.05 -0.24 0.00 0.31 0.00 0.00 61.69 61.78 1b33 s THR 28 Cb 0.06 -0.45 0.07 0.00 0.01 0.00 0.00 72.50 72.19 1b33 s THR 28 CO -0.10 0.19 0.68 -1.59 -0.69 0.00 0.00 174.62 173.10 1b33 s LYS 29 N 0.94 1.24 -0.06 4.92 -2.85 0.48 -5.00 119.74 119.41 1b33 s LYS 29 Ca -0.11 -0.49 -0.17 0.00 -1.00 0.00 0.00 55.97 54.20 1b33 s LYS 29 Cb -0.14 0.55 -0.05 0.00 -2.06 0.00 0.00 37.83 36.13 1b33 s LYS 29 CO -0.00 -0.55 0.45 -0.51 0.10 0.00 0.00 175.35 174.84 1b33 s LEU 30 N -2.72 4.37 -0.10 2.77 1.43 -1.26 -0.90 118.68 122.27 1b33 s LEU 30 Ca 0.03 0.89 -0.01 0.00 -1.03 0.00 0.00 54.13 54.01 1b33 s LEU 30 Cb -0.01 -2.65 0.03 0.00 0.03 0.00 0.00 46.19 43.58 1b33 s LEU 30 CO -0.10 0.15 -0.05 -0.69 0.23 0.00 0.00 176.35 175.90 1b33 s VAL 31 N -0.18 0.80 0.40 -1.59 1.01 0.40 -4.97 120.40 116.28 1b33 s VAL 31 Ca 0.25 -0.17 -0.26 0.00 0.00 0.00 0.00 61.98 61.80 1b33 s VAL 31 Cb -0.16 -0.88 -0.10 0.00 0.00 0.00 0.00 36.38 35.23 1b33 s VAL 31 CO 0.12 0.31 1.25 -2.65 0.00 0.00 0.00 175.10 174.13 1b33 n PRO 32 N 5.01 1.91 -0.35 2.72 -0.02 -1.26 -0.76 135.00 142.26 1b33 n PRO 32 Ca -0.11 0.68 0.02 0.00 -2.02 0.00 0.00 63.50 62.08 1b33 n PRO 32 Cb 0.50 -2.33 0.09 0.00 -0.02 0.00 0.00 33.50 31.74 1b33 n PRO 32 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1b33 h TYR 33 N 2.14 -0.74 0.00 6.00 5.03 -1.44 0.19 116.97 128.15 1b33 h TYR 33 Ca -0.47 0.09 0.00 0.00 2.58 0.00 0.00 58.73 60.93 1b33 h TYR 33 Cb 1.30 0.47 0.00 0.00 1.55 0.00 0.00 36.73 40.04 1b33 h TYR 33 CO 0.48 -0.41 0.00 -0.85 -1.32 0.00 0.00 178.16 176.07 1b33 n GLU 34 N -5.54 0.24 0.00 1.82 0.00 -1.26 -2.03 120.64 113.86 1b33 n GLU 34 Ca 0.12 0.03 0.00 0.00 0.00 0.00 0.00 57.16 57.32 1b33 n GLU 34 Cb 0.44 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.38 1b33 n GLU 34 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1b33 n ASN 35 N -1.05 1.00 -0.20 -1.84 3.02 0.63 -4.78 115.26 112.04 1b33 n ASN 35 Ca 0.06 -0.40 -0.07 0.00 -0.03 0.00 0.00 54.58 54.14 1b33 n ASN 35 Cb 0.03 1.00 0.03 0.00 -0.61 0.00 0.00 39.78 40.23 1b33 n ASN 35 CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 1b33 h TRP 36 N 0.00 0.80 -0.39 3.10 -0.00 -1.06 -1.47 115.95 116.93 1b33 h TRP 36 Ca 0.00 -0.03 0.02 0.00 -0.00 0.00 0.00 58.89 58.88 1b33 h TRP 36 Cb 0.00 -0.25 -0.03 0.00 -0.00 0.00 0.00 29.16 28.88 1b33 h TRP 36 CO 0.00 0.61 0.21 0.35 -0.00 0.00 0.00 178.44 179.62 1b33 h PHE 37 N 0.76 0.40 -0.46 2.65 3.04 -1.87 0.15 116.94 121.61 1b33 h PHE 37 Ca 0.20 0.01 -0.14 0.00 3.98 0.00 0.00 57.97 62.02 1b33 h PHE 37 Cb 0.10 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.48 1b33 h PHE 37 CO -0.01 0.22 -0.25 -0.09 -2.02 0.00 0.00 178.31 176.17 1b33 h ARG 38 N 0.44 0.98 -0.07 1.11 2.43 -1.88 -2.54 114.38 114.85 1b33 h ARG 38 Ca 0.16 -0.44 -0.03 0.00 -0.81 0.00 0.00 59.98 58.86 1b33 h ARG 38 Cb 0.04 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1b33 h ARG 38 CO -0.09 1.11 -0.07 1.49 -1.51 0.00 0.00 179.97 180.90 1b33 h GLU 39 N 0.84 0.17 -0.24 0.20 4.57 -1.04 -2.18 114.58 116.90 1b33 h GLU 39 Ca 0.10 -0.09 0.05 0.00 -1.18 0.00 0.00 59.36 58.25 1b33 h GLU 39 Cb 0.83 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.37 1b33 h GLU 39 CO 0.07 0.60 -0.12 0.37 -1.18 0.00 0.00 179.01 178.76 1b33 h GLN 40 N -0.25 -0.09 -0.75 1.92 4.15 -0.75 -1.72 115.11 117.63 1b33 h GLN 40 Ca 0.01 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 1b33 h GLN 40 Cb 0.57 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.24 1b33 h GLN 40 CO 0.02 -0.06 0.44 1.96 -1.93 0.00 0.00 178.83 179.26 1b33 h GLN 41 N -0.09 1.02 -0.17 1.69 4.20 -1.49 -1.31 115.11 118.96 1b33 h GLN 41 Ca 0.13 -0.09 0.03 0.00 0.06 0.00 0.00 58.65 58.77 1b33 h GLN 41 Cb 0.28 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1b33 h GLN 41 CO -0.30 0.72 0.01 -0.09 -0.67 0.00 0.00 178.83 178.51 1b33 h ARG 42 N 1.04 0.07 -0.52 1.46 2.43 -0.66 -1.34 114.38 116.87 1b33 h ARG 42 Ca 0.27 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.40 1b33 h ARG 42 Cb -0.03 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 1b33 h ARG 42 CO -0.05 0.05 0.17 0.82 -1.51 0.00 0.00 179.97 179.45 1b33 h ILE 43 N 0.07 1.23 -0.38 1.20 2.04 -1.06 -2.91 117.51 117.70 1b33 h ILE 43 Ca 0.08 -0.74 0.04 0.00 1.00 0.00 0.00 64.86 65.24 1b33 h ILE 43 Cb 0.09 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 1b33 h ILE 43 CO -0.12 0.28 0.14 1.56 0.00 0.00 0.00 178.15 180.00 1b33 h GLN 44 N 0.70 0.29 0.00 2.37 4.20 -0.90 -1.35 115.11 120.42 1b33 h GLN 44 Ca 0.17 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.81 1b33 h GLN 44 Cb 0.25 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1b33 h GLN 44 CO -0.01 0.19 -0.22 0.87 -0.67 0.00 0.00 178.83 178.99 1b33 h LYS 45 N 0.30 0.00 -0.59 1.46 1.57 -1.24 -2.83 116.57 115.24 1b33 h LYS 45 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1b33 h LYS 45 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1b33 h LYS 45 CO -0.17 0.22 0.00 -1.33 -0.57 0.00 0.00 179.45 177.60 1b33 n MET 46 N -3.63 1.87 -1.16 3.15 2.81 -0.92 -4.86 117.12 114.38 1b33 n MET 46 Ca -0.01 -0.86 -0.06 0.00 -1.81 0.00 0.00 57.70 54.96 1b33 n MET 46 Cb 0.35 -1.49 -0.02 0.00 -0.71 0.00 0.00 33.22 31.35 1b33 n MET 46 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1b33 n GLY 47 N 0.47 0.70 3.84 3.03 0.00 -1.07 -4.51 105.19 107.65 1b33 n GLY 47 Ca 0.08 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 1b33 n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1b33 s GLY 48 N -2.37 2.21 -0.16 -0.02 0.00 -0.56 -4.54 107.32 101.88 1b33 s GLY 48 Ca 0.00 0.23 -0.02 0.00 0.00 0.00 0.00 44.72 44.93 1b33 s GLY 48 CO 0.00 0.50 -0.09 1.25 0.00 0.00 0.00 173.10 174.76 1b33 s LYS 49 N -3.60 3.41 -0.32 2.90 2.36 0.16 -4.41 119.74 120.24 1b33 s LYS 49 Ca 0.59 -0.65 -0.23 0.00 -2.55 0.00 0.00 55.97 53.13 1b33 s LYS 49 Cb -0.10 -2.79 0.00 0.00 -1.05 0.00 0.00 37.83 33.89 1b33 s LYS 49 CO 0.23 0.07 0.78 0.42 1.55 0.00 0.00 175.35 178.40 1b33 s ILE 50 N 0.74 4.78 -0.10 5.43 1.01 -1.26 -1.02 121.20 130.79 1b33 s ILE 50 Ca -0.04 1.12 -0.05 0.00 0.00 0.00 0.00 60.65 61.68 1b33 s ILE 50 Cb -0.15 -4.16 -0.26 0.00 0.01 0.00 0.00 42.46 37.90 1b33 s ILE 50 CO 0.02 -0.28 0.46 0.58 0.00 0.00 0.00 174.94 175.71 1b33 h VAL 51 N 5.63 0.71 -2.78 2.92 2.07 -1.29 -3.49 116.25 120.01 1b33 h VAL 51 Ca -0.24 -2.42 -0.13 0.00 0.82 0.00 0.00 66.70 64.72 1b33 h VAL 51 Cb 1.10 2.54 -0.25 0.00 -1.52 0.00 0.00 31.29 33.16 1b33 h VAL 51 CO 0.89 0.85 -0.28 -0.75 0.02 0.00 0.00 177.57 178.29 1b33 s LYS 52 N -2.57 0.43 -0.04 1.57 2.47 -0.90 -4.97 119.74 115.73 1b33 s LYS 52 Ca -0.19 0.59 -0.00 0.00 -1.56 0.00 0.00 55.97 54.81 1b33 s LYS 52 Cb 0.07 0.15 0.03 0.00 -1.46 0.00 0.00 37.83 36.62 1b33 s LYS 52 CO 0.79 -0.08 0.00 0.08 0.16 0.00 0.00 175.35 176.30 1b33 s VAL 53 N 0.50 0.22 0.06 4.02 1.01 -1.26 -1.10 120.40 123.85 1b33 s VAL 53 Ca -0.02 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.08 1b33 s VAL 53 Cb -0.04 -0.34 -0.03 0.00 0.00 0.00 0.00 36.38 35.96 1b33 s VAL 53 CO -0.03 0.18 -0.05 -1.61 0.00 0.00 0.00 175.10 173.59 1b33 s GLU 54 N 1.34 0.62 -0.61 2.72 2.02 -0.21 -4.97 118.70 119.62 1b33 s GLU 54 Ca -0.05 -1.06 -0.18 0.00 0.02 0.00 0.00 54.97 53.70 1b33 s GLU 54 Cb -0.13 -0.06 0.12 0.00 0.10 0.00 0.00 34.13 34.16 1b33 s GLU 54 CO -0.02 -0.03 0.66 -1.17 0.02 0.00 0.00 175.26 174.72 1b33 s LEU 55 N -2.44 5.73 0.24 1.80 2.96 -1.26 -0.43 118.68 125.28 1b33 s LEU 55 Ca 0.01 -1.66 -0.06 0.00 -0.22 0.00 0.00 54.13 52.19 1b33 s LEU 55 Cb 0.00 -2.27 0.27 0.00 0.50 0.00 0.00 46.19 44.69 1b33 s LEU 55 CO -0.04 -1.00 1.89 0.00 -1.32 0.00 0.00 176.35 175.88 1b33 h ALA 56 N 8.98 1.19 0.00 5.97 0.00 0.36 -2.70 119.26 133.06 1b33 h ALA 56 Ca -0.25 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1b33 h ALA 56 Cb 1.08 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1b33 h ALA 56 CO 1.06 0.48 0.00 0.25 0.00 0.00 0.00 179.25 181.03 1b33 n THR 57 N -4.50 0.04 0.00 0.00 -2.24 -1.13 -4.96 114.28 101.48 1b33 n THR 57 Ca 0.11 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1b33 n THR 57 Cb 0.07 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 67.76 1b33 n THR 57 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b33 n GLY 58 N 1.04 1.11 3.62 3.38 0.00 -1.02 -4.95 105.19 108.36 1b33 n GLY 58 Ca 0.17 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1b33 n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b33 s LYS 59 N 0.00 3.49 -0.06 1.61 3.01 -1.26 -4.99 119.74 121.55 1b33 s LYS 59 Ca 0.00 2.24 -0.03 0.00 -1.01 0.00 0.00 55.97 57.17 1b33 s LYS 59 Cb 0.00 -4.30 -0.04 0.00 -1.01 0.00 0.00 37.83 32.48 1b33 s LYS 59 CO 0.00 -1.69 0.11 1.14 0.51 0.00 0.00 175.35 175.41 1b33 s GLN 60 N 5.67 3.25 -0.51 1.68 -2.07 -1.26 -4.58 119.66 121.84 1b33 s GLN 60 Ca 0.96 -0.33 -0.03 0.00 -1.82 0.00 0.00 55.36 54.14 1b33 s GLN 60 Cb -0.37 -3.00 0.00 0.00 -1.09 0.00 0.00 33.01 28.56 1b33 s GLN 60 CO 0.37 0.70 0.44 0.41 -1.32 0.00 0.00 175.29 175.90 1b33 n GLY 61 N 1.54 0.38 3.71 2.60 0.00 -1.26 -4.99 105.19 107.17 1b33 n GLY 61 Ca -0.16 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 1b33 n GLY 61 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b33 s ILE 62 N -3.12 4.16 -0.12 -0.61 1.01 -1.26 -4.92 121.20 116.33 1b33 s ILE 62 Ca 0.21 1.53 -0.11 0.00 0.00 0.00 0.00 60.65 62.29 1b33 s ILE 62 Cb -0.09 -3.98 -0.26 0.00 0.01 0.00 0.00 42.46 38.14 1b33 s ILE 62 CO 0.27 0.09 0.39 0.78 0.00 0.00 0.00 174.94 176.47 1b33 h ASN 63 N 6.99 0.37 -3.57 3.58 -0.26 -2.00 -3.48 115.58 117.20 1b33 h ASN 63 Ca -0.40 -0.87 -0.23 0.00 -0.56 0.00 0.00 56.30 54.24 1b33 h ASN 63 Cb 1.20 -0.12 -0.30 0.00 -1.06 0.00 0.00 38.32 38.04 1b33 h ASN 63 CO 0.83 1.77 -0.61 0.28 -1.06 0.00 0.00 177.43 178.63 1b33 s THR 64 N -2.52 -0.03 0.00 2.81 -1.32 -1.26 -4.95 115.64 108.37 1b33 s THR 64 Ca -0.23 0.11 0.00 0.00 -1.21 0.00 0.00 61.69 60.37 1b33 s THR 64 Cb 0.06 -0.19 0.00 0.00 -1.51 0.00 0.00 72.50 70.87 1b33 s THR 64 CO 0.75 0.05 0.00 0.61 -2.21 0.00 0.00 174.62 173.82 1b33 n GLY 65 N 3.74 0.68 0.01 6.08 0.00 -1.26 -5.06 105.19 109.37 1b33 n GLY 65 Ca -0.21 -0.45 0.11 0.00 0.00 0.00 0.00 46.02 45.47 1b33 n GLY 65 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1b33 n LEU 66 N 0.00 0.73 0.00 0.99 4.77 -1.26 -4.96 117.00 117.27 1b33 n LEU 66 Ca 0.00 -0.24 0.10 0.00 -0.03 0.00 0.00 56.01 55.84 1b33 n LEU 66 Cb 0.00 -0.09 0.58 0.00 -2.33 0.00 0.00 43.42 41.59 1b33 n LEU 66 CO 0.00 0.16 0.78 0.00 -1.33 0.00 0.00 177.39 177.00