#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2omo n HIS 0 N 0.00 0.70 -3.67 1.61 8.25 -1.23 -4.94 115.22 115.94 2omo n HIS 0 Ca 0.00 -0.33 -0.08 0.00 -0.26 0.00 0.00 57.72 57.05 2omo n HIS 0 Cb 0.00 -0.03 -0.09 0.00 1.12 0.00 0.00 29.99 30.99 2omo n HIS 0 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2omo s TYR 2 N -1.44 -0.84 -0.07 4.41 5.04 0.75 -4.58 117.35 120.62 2omo s TYR 2 Ca 0.32 1.68 0.01 0.00 -2.44 0.00 0.00 57.07 56.63 2omo s TYR 2 Cb 0.17 0.43 0.02 0.00 0.35 0.00 0.00 41.96 42.94 2omo s TYR 2 CO 0.20 -0.45 -0.07 0.08 -1.34 0.00 0.00 175.55 173.98 2omo s VAL 3 N 1.75 0.82 -0.18 3.14 1.01 -0.89 -0.53 120.40 125.53 2omo s VAL 3 Ca -0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 2omo s VAL 3 Cb -0.08 -0.83 -0.00 0.00 0.00 0.00 0.00 36.38 35.47 2omo s VAL 3 CO -0.16 0.31 -0.12 -0.89 0.00 0.00 0.00 175.10 174.24 2omo s THR 4 N 1.21 2.86 -0.40 3.92 2.01 0.11 -0.06 115.64 125.28 2omo s THR 4 Ca -0.05 -0.69 -0.15 0.00 0.31 0.00 0.00 61.69 61.11 2omo s THR 4 Cb -0.14 -2.24 0.02 0.00 0.01 0.00 0.00 72.50 70.15 2omo s THR 4 CO -0.02 0.49 0.30 -0.63 -0.69 0.00 0.00 174.62 174.07 2omo s ILE 5 N 1.04 5.26 -0.30 1.82 1.01 -0.49 -0.66 121.20 128.88 2omo s ILE 5 Ca -0.01 -0.60 -0.11 0.00 0.00 0.00 0.00 60.65 59.94 2omo s ILE 5 Cb -0.15 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 2omo s ILE 5 CO -0.03 -0.28 0.18 -0.69 0.00 0.00 0.00 174.94 174.12 2omo s VAL 6 N 1.70 4.99 -0.11 2.92 1.01 0.13 -1.06 120.40 130.00 2omo s VAL 6 Ca 0.05 -0.11 -0.12 0.00 0.00 0.00 0.00 61.98 61.80 2omo s VAL 6 Cb -0.19 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 2omo s VAL 6 CO 0.10 0.16 0.29 -0.31 0.00 0.00 0.00 175.10 175.34 2omo s TYR 7 N 1.70 3.57 -0.08 5.22 2.02 0.12 0.13 117.35 130.02 2omo s TYR 7 Ca 0.06 0.69 0.01 0.00 -0.37 0.00 0.00 57.07 57.47 2omo s TYR 7 Cb -0.16 -2.23 0.02 0.00 -0.40 0.00 0.00 41.96 39.18 2omo s TYR 7 CO 0.09 0.47 -0.11 0.00 -1.57 0.00 0.00 175.55 174.43 2omo s ALA 8 N -0.32 1.30 -0.40 3.71 0.00 -0.48 -2.20 121.76 123.36 2omo s ALA 8 Ca 0.18 -0.47 -0.07 0.00 0.00 0.00 0.00 51.96 51.60 2omo s ALA 8 Cb -0.14 -0.69 0.08 0.00 0.00 0.00 0.00 23.12 22.37 2omo s ALA 8 CO 0.07 -0.07 0.21 0.45 0.00 0.00 0.00 175.76 176.41 2omo s SER 9 N 1.03 5.45 0.19 0.00 0.15 -1.26 -1.30 113.70 117.96 2omo s SER 9 Ca -0.08 -1.60 -0.03 0.00 0.70 0.00 0.00 55.95 54.94 2omo s SER 9 Cb -0.15 -1.91 -0.05 0.00 -1.71 0.00 0.00 66.02 62.20 2omo s SER 9 CO -0.01 -0.51 0.40 -0.69 1.20 0.00 0.00 173.24 173.64 2omo s VAL 10 N 1.33 5.16 0.49 4.45 1.01 -0.12 0.14 120.40 132.87 2omo s VAL 10 Ca 0.03 -0.14 -0.23 0.00 0.00 0.00 0.00 61.98 61.64 2omo s VAL 10 Cb -0.23 -3.68 -0.07 0.00 0.00 0.00 0.00 36.38 32.40 2omo s VAL 10 CO 0.00 -0.10 1.34 -0.54 0.00 0.00 0.00 175.10 175.81 2omo s LYS 11 N -3.06 3.49 0.39 2.72 1.02 -0.30 -4.54 119.74 119.46 2omo s LYS 11 Ca 0.40 2.21 0.13 0.00 0.02 0.00 0.00 55.97 58.73 2omo s LYS 11 Cb -0.11 -2.46 0.94 0.00 -0.52 0.00 0.00 37.83 35.68 2omo s LYS 11 CO 0.27 -0.90 1.89 0.00 -0.92 0.00 0.00 175.35 175.68 2omo h THR 12 N 1.88 0.80 -0.07 2.17 1.03 -1.96 -0.10 112.91 116.67 2omo h THR 12 Ca -0.50 -0.19 0.00 0.00 -0.01 0.00 0.00 66.41 65.71 2omo h THR 12 Cb 1.28 0.20 0.00 0.00 -1.07 0.00 0.00 68.15 68.56 2omo h THR 12 CO 0.59 0.10 0.00 -0.90 -0.01 0.00 0.00 175.52 175.30 2omo n ASP 13 N -4.52 0.59 -0.04 0.00 5.75 -1.26 -3.80 116.55 113.26 2omo n ASP 13 Ca 0.17 -1.61 0.02 0.00 -0.01 0.00 0.00 54.79 53.35 2omo n ASP 13 Cb 0.53 -0.04 0.02 0.00 -1.03 0.00 0.00 41.12 40.59 2omo n ASP 13 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2omo n LYS 14 N -0.36 1.84 -0.11 0.11 4.76 -0.05 -4.81 118.16 119.53 2omo n LYS 14 Ca 0.13 -1.41 -0.07 0.00 -2.87 0.00 0.00 58.31 54.09 2omo n LYS 14 Cb 0.15 -0.93 0.01 0.00 -1.84 0.00 0.00 35.03 32.41 2omo n LYS 14 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 2omo h THR 15 N 1.16 1.00 -0.46 -0.18 1.35 -1.65 0.68 112.91 114.81 2omo h THR 15 Ca 0.00 -0.13 -0.11 0.00 -0.55 0.00 0.00 66.41 65.61 2omo h THR 15 Cb 0.75 0.58 -0.02 0.00 -1.73 0.00 0.00 68.15 67.73 2omo h THR 15 CO 0.00 0.07 -0.16 -0.33 -0.25 0.00 0.00 175.52 174.86 2omo h GLU 16 N 0.39 0.88 -0.40 4.72 4.39 -1.90 -1.61 114.58 121.06 2omo h GLU 16 Ca 0.15 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.52 2omo h GLU 16 Cb 0.04 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 2omo h GLU 16 CO -0.09 0.98 0.26 0.00 -1.16 0.00 0.00 179.01 179.00 2omo h ALA 17 N 1.03 0.51 -0.72 3.43 0.00 -1.82 -1.72 119.26 119.97 2omo h ALA 17 Ca 0.12 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2omo h ALA 17 Cb 0.69 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2omo h ALA 17 CO 0.05 -0.02 0.21 0.35 0.00 0.00 0.00 179.25 179.84 2omo h PHE 18 N 0.54 1.17 -0.53 0.00 3.57 -0.61 -1.37 116.94 119.71 2omo h PHE 18 Ca 0.15 -0.12 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 2omo h PHE 18 Cb -0.05 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 38.33 2omo h PHE 18 CO -0.04 0.93 0.22 0.87 -2.23 0.00 0.00 178.31 178.05 2omo h LYS 19 N 1.08 0.79 0.11 1.11 1.57 -1.11 -0.51 116.57 119.61 2omo h LYS 19 Ca 0.23 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 2omo h LYS 19 Cb 0.32 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2omo h LYS 19 CO -0.00 0.69 -0.05 1.49 -0.57 0.00 0.00 179.45 181.00 2omo h GLU 20 N 0.71 -0.14 -0.47 3.15 4.81 -1.01 -1.08 114.58 120.55 2omo h GLU 20 Ca 0.18 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 2omo h GLU 20 Cb 0.19 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 2omo h GLU 20 CO -0.02 -0.03 0.24 0.00 -0.73 0.00 0.00 179.01 178.47 2omo h ALA 21 N 0.66 1.54 0.00 2.92 0.00 -1.15 -2.98 119.26 120.24 2omo h ALA 21 Ca -0.02 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 2omo h ALA 21 Cb 0.18 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2omo h ALA 21 CO 0.03 0.38 -0.57 1.15 0.00 0.00 0.00 179.25 180.24 2omo h THR 22 N 0.65 1.05 0.00 0.00 2.02 -0.75 -3.35 112.91 112.54 2omo h THR 22 Ca 0.17 -2.26 0.00 0.00 0.77 0.00 0.00 66.41 65.09 2omo h THR 22 Cb 0.05 2.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.83 2omo h THR 22 CO -0.02 0.55 0.00 -1.14 0.37 0.00 0.00 175.52 175.28 2omo n ARG 23 N -3.35 0.02 0.00 6.66 0.00 -0.44 -2.39 116.66 117.16 2omo n ARG 23 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.86 2omo n ARG 23 Cb 0.71 -1.16 0.00 0.00 0.00 0.00 0.00 32.46 32.01 2omo n ARG 23 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 2omo n ASN 25 N 0.65 0.00 0.05 6.15 2.85 -1.26 -1.75 115.26 121.94 2omo n ASN 25 Ca 0.00 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.36 2omo n ASN 25 Cb 0.01 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 40.97 2omo n ASN 25 CO 0.00 0.00 0.00 -0.74 -2.11 0.00 0.00 177.26 174.41 2omo h HIS 26 N 0.00 -0.19 -0.81 1.20 2.76 -1.83 0.07 115.15 116.34 2omo h HIS 26 Ca 0.00 0.01 0.11 0.00 -2.20 0.00 0.00 60.37 58.29 2omo h HIS 26 Cb 0.00 0.09 -0.08 0.00 1.55 0.00 0.00 27.41 28.97 2omo h HIS 26 CO 0.00 -0.12 0.44 1.49 -1.30 0.00 0.00 177.93 178.44 2omo h GLU 27 N -0.13 0.69 0.05 5.26 4.81 -1.65 -1.20 114.58 122.41 2omo h GLU 27 Ca 0.03 -0.04 -0.25 0.00 -0.13 0.00 0.00 59.36 58.97 2omo h GLU 27 Cb 0.17 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 2omo h GLU 27 CO -0.08 0.45 -1.26 1.96 -0.73 0.00 0.00 179.01 179.36 2omo h GLN 28 N 0.71 0.11 -0.12 1.92 4.20 -1.83 -3.36 115.11 116.75 2omo h GLN 28 Ca 0.41 -0.20 -0.13 0.00 0.06 0.00 0.00 58.65 58.80 2omo h GLN 28 Cb 0.46 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 2omo h GLN 28 CO -0.29 1.01 -0.49 0.77 -0.67 0.00 0.00 178.83 179.16 2omo h SER 29 N 0.03 0.35 0.17 1.46 0.02 0.16 -2.52 113.55 113.22 2omo h SER 29 Ca -0.12 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 60.65 2omo h SER 29 Cb 1.90 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 64.34 2omo h SER 29 CO 0.15 0.79 -0.05 0.16 -1.14 0.00 0.00 176.83 176.73 2omo h ILE 30 N 0.26 0.51 -2.60 3.27 3.07 -1.45 -1.85 117.51 118.72 2omo h ILE 30 Ca 0.01 -0.24 -0.75 0.00 1.55 0.00 0.00 64.86 65.44 2omo h ILE 30 Cb 0.96 1.15 -0.32 0.00 -0.27 0.00 0.00 36.82 38.35 2omo h ILE 30 CO 0.08 0.05 0.43 -2.11 -1.05 0.00 0.00 178.15 175.55 2omo n ARG 31 N -3.71 4.15 -4.14 0.16 1.85 -0.95 -4.87 116.66 109.14 2omo n ARG 31 Ca -0.02 -4.63 -0.20 0.00 -1.00 0.00 0.00 57.85 52.00 2omo n ARG 31 Cb 0.15 -2.43 -0.16 0.00 -1.05 0.00 0.00 32.46 28.97 2omo n ARG 31 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 2omo s GLU 32 N -3.05 0.81 0.12 2.89 -6.30 -0.70 -4.89 118.70 107.58 2omo s GLU 32 Ca 0.36 -0.09 -0.35 0.00 -2.50 0.00 0.00 54.97 52.38 2omo s GLU 32 Cb 0.11 -0.83 -0.16 0.00 0.00 0.00 0.00 34.13 33.25 2omo s GLU 32 CO 0.03 -0.09 1.40 -2.30 0.02 0.00 0.00 175.26 174.32 2omo n PRO 33 N 4.08 1.51 -0.15 4.30 -0.02 -1.26 -1.80 135.00 141.66 2omo n PRO 33 Ca -0.24 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 2omo n PRO 33 Cb 0.51 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 2omo n PRO 33 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2omo n GLY 34 N 2.75 1.03 3.79 -1.23 0.00 -1.26 -4.91 105.19 105.35 2omo n GLY 34 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 2omo n GLY 34 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2omo s ASN 35 N -2.88 3.69 0.18 1.61 3.84 -0.75 -0.04 114.94 120.60 2omo s ASN 35 Ca 0.00 1.03 -0.33 0.00 0.21 0.00 0.00 52.86 53.77 2omo s ASN 35 Cb 0.00 -1.64 -0.15 0.00 -0.55 0.00 0.00 41.25 38.91 2omo s ASN 35 CO 0.00 -2.44 1.37 0.54 -2.79 0.00 0.00 177.10 173.78 2omo n ARG 37 N -3.70 1.70 -3.20 0.43 3.00 -0.98 -4.87 116.66 109.04 2omo n ARG 37 Ca 0.07 0.61 -0.23 0.00 -0.01 0.00 0.00 57.85 58.29 2omo n ARG 37 Cb 0.59 -2.25 -0.06 0.00 0.00 0.00 0.00 32.46 30.74 2omo n ARG 37 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2omo n PHE 38 N 2.22 0.32 -2.91 -1.55 -0.00 -1.25 -0.23 117.46 114.07 2omo n PHE 38 Ca 0.15 -3.70 -0.40 0.00 -0.00 0.00 0.00 57.45 53.49 2omo n PHE 38 Cb 0.27 -0.39 -0.04 0.00 -0.00 0.00 0.00 39.48 39.31 2omo n PHE 38 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 2omo s ASP 39 N -1.74 7.23 -0.18 -2.13 1.01 -0.96 -4.90 116.67 115.01 2omo s ASP 39 Ca 0.37 1.48 -0.02 0.00 0.71 0.00 0.00 52.55 55.10 2omo s ASP 39 Cb 0.22 -2.49 -0.01 0.00 1.01 0.00 0.00 42.92 41.66 2omo s ASP 39 CO -0.09 -0.08 -0.11 -0.63 0.21 0.00 0.00 175.17 174.47 2omo s ILE 40 N 0.34 3.01 0.05 0.77 1.09 -1.26 -0.25 121.20 124.94 2omo s ILE 40 Ca 0.42 -0.64 0.09 0.00 -1.10 0.00 0.00 60.65 59.42 2omo s ILE 40 Cb -0.20 -2.31 -0.03 0.00 -1.06 0.00 0.00 42.46 38.85 2omo s ILE 40 CO 0.24 0.48 -0.25 -0.76 -0.10 0.00 0.00 174.94 174.55 2omo s LEU 41 N 1.01 2.17 -0.08 2.97 1.43 0.17 -4.97 118.68 121.38 2omo s LEU 41 Ca -0.01 -0.58 0.04 0.00 -1.03 0.00 0.00 54.13 52.55 2omo s LEU 41 Cb -0.15 -1.21 0.00 0.00 0.03 0.00 0.00 46.19 44.86 2omo s LEU 41 CO -0.01 0.23 -0.21 -1.58 0.23 0.00 0.00 176.35 175.01 2omo s GLN 42 N -1.27 2.59 0.36 1.70 0.74 -1.26 -1.02 119.66 121.49 2omo s GLN 42 Ca 0.11 -0.76 -0.28 0.00 0.05 0.00 0.00 55.36 54.48 2omo s GLN 42 Cb -0.10 -2.02 -0.10 0.00 1.10 0.00 0.00 33.01 31.89 2omo s GLN 42 CO 0.02 0.18 1.39 0.45 -0.55 0.00 0.00 175.29 176.77 2omo s SER 43 N 0.33 6.55 0.28 6.67 0.15 0.86 -4.90 113.70 123.63 2omo s SER 43 Ca -0.15 2.85 0.04 0.00 0.70 0.00 0.00 55.95 59.39 2omo s SER 43 Cb -0.16 -2.66 0.41 0.00 -1.71 0.00 0.00 66.02 61.90 2omo s SER 43 CO 0.07 -0.71 1.70 0.00 1.20 0.00 0.00 173.24 175.50 2omo h ALA 44 N 3.16 1.08 0.00 5.45 0.00 -1.99 -3.15 119.26 123.81 2omo h ALA 44 Ca -0.50 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 53.97 2omo h ALA 44 Cb 1.23 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2omo h ALA 44 CO 0.65 0.58 -0.42 -0.44 0.00 0.00 0.00 179.25 179.62 2omo h ASP 45 N 0.33 0.00 -1.90 0.00 3.32 -1.97 -3.44 116.42 112.76 2omo h ASP 45 Ca 0.04 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.86 2omo h ASP 45 Cb 0.76 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.01 2omo h ASP 45 CO 0.06 0.27 -0.56 -0.62 -1.72 0.00 0.00 179.24 176.67 2omo s ASP 46 N -6.22 0.77 0.45 6.45 -1.08 -1.19 -5.01 116.67 110.83 2omo s ASP 46 Ca 0.04 -0.36 0.24 0.00 -0.52 0.00 0.00 52.55 51.95 2omo s ASP 46 Cb 0.07 0.91 1.30 0.00 -1.46 0.00 0.00 42.92 43.74 2omo s ASP 46 CO 0.72 -0.35 1.70 1.55 0.52 0.00 0.00 175.17 179.31 2omo h PRO 47 N 8.20 0.00 0.00 4.34 0.13 -1.86 -1.72 132.00 141.09 2omo h PRO 47 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 2omo h PRO 47 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2omo h PRO 47 CO 0.29 0.00 -0.36 0.25 -0.23 0.00 0.00 178.00 177.95 2omo n THR 48 N -2.45 0.09 -3.71 1.56 -2.24 -1.26 -4.80 114.28 101.48 2omo n THR 48 Ca -0.02 -0.06 -0.37 0.00 -2.27 0.00 0.00 64.05 61.34 2omo n THR 48 Cb 0.21 -0.06 -0.11 0.00 -2.10 0.00 0.00 70.33 68.28 2omo n THR 48 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2omo s ARG 49 N -3.03 3.95 0.20 -0.78 1.81 -0.65 -0.94 118.95 119.51 2omo s ARG 49 Ca 0.11 -0.33 0.08 0.00 -1.72 0.00 0.00 55.73 53.87 2omo s ARG 49 Cb 0.17 -3.49 -0.05 0.00 -0.45 0.00 0.00 34.95 31.13 2omo s ARG 49 CO 0.65 -0.03 -0.15 -0.06 -0.68 0.00 0.00 175.30 175.03 2omo s PHE 50 N 1.27 1.75 -0.02 -0.53 0.08 -0.42 -0.10 117.98 120.01 2omo s PHE 50 Ca 0.06 -0.54 0.01 0.00 0.12 0.00 0.00 56.93 56.58 2omo s PHE 50 Cb -0.14 -0.82 0.02 0.00 -0.57 0.00 0.00 43.02 41.50 2omo s PHE 50 CO 0.06 0.37 -0.02 0.08 -0.10 0.00 0.00 175.22 175.61 2omo s VAL 51 N -2.76 0.27 -0.28 -0.44 1.01 -0.19 -1.39 120.40 116.62 2omo s VAL 51 Ca 0.21 -0.02 -0.09 0.00 0.00 0.00 0.00 61.98 62.08 2omo s VAL 51 Cb -0.02 -0.32 -0.02 0.00 0.00 0.00 0.00 36.38 36.02 2omo s VAL 51 CO 0.07 0.14 0.13 -0.76 0.00 0.00 0.00 175.10 174.68 2omo s LEU 52 N 0.69 3.83 -0.62 3.92 1.02 0.12 0.43 118.68 128.07 2omo s LEU 52 Ca -0.07 -0.32 -0.11 0.00 0.02 0.00 0.00 54.13 53.64 2omo s LEU 52 Cb -0.11 -1.99 0.16 0.00 0.02 0.00 0.00 46.19 44.28 2omo s LEU 52 CO -0.01 -0.11 0.53 -0.47 0.02 0.00 0.00 176.35 176.31 2omo s TYR 53 N 1.64 3.49 -0.42 0.29 5.04 0.65 0.21 117.35 128.25 2omo s TYR 53 Ca 0.06 -1.91 -0.12 0.00 -2.44 0.00 0.00 57.07 52.65 2omo s TYR 53 Cb -0.16 -3.62 0.06 0.00 0.35 0.00 0.00 41.96 38.58 2omo s TYR 53 CO 0.06 -0.98 0.29 -1.21 -1.34 0.00 0.00 175.55 172.37 2omo s GLU 54 N 0.81 2.80 -0.07 4.97 2.02 0.17 -2.26 118.70 127.14 2omo s GLU 54 Ca 0.11 -1.29 0.05 0.00 0.02 0.00 0.00 54.97 53.86 2omo s GLU 54 Cb -0.21 -3.89 -0.01 0.00 0.10 0.00 0.00 34.13 30.12 2omo s GLU 54 CO -0.03 -0.89 -0.24 0.00 0.02 0.00 0.00 175.26 174.12 2omo s ALA 55 N 1.54 2.21 0.13 5.21 0.00 0.68 -0.71 121.76 130.83 2omo s ALA 55 Ca 0.03 -1.02 0.03 0.00 0.00 0.00 0.00 51.96 51.00 2omo s ALA 55 Cb -0.22 -0.74 -0.04 0.00 0.00 0.00 0.00 23.12 22.12 2omo s ALA 55 CO 0.05 0.39 -0.07 0.71 0.00 0.00 0.00 175.76 176.84 2omo s TYR 56 N -0.08 1.12 0.34 0.00 2.02 0.31 -2.31 117.35 118.74 2omo s TYR 56 Ca -0.06 -0.85 0.04 0.00 -0.37 0.00 0.00 57.07 55.83 2omo s TYR 56 Cb -0.14 -0.60 0.60 0.00 -0.40 0.00 0.00 41.96 41.42 2omo s TYR 56 CO 0.05 -0.04 1.88 0.87 -1.57 0.00 0.00 175.55 176.73 2omo h LYS 57 N 2.84 0.53 -4.39 -0.62 1.57 -0.75 0.21 116.57 115.95 2omo h LYS 57 Ca -0.36 -0.11 -0.16 0.00 -1.87 0.00 0.00 60.65 58.15 2omo h LYS 57 Cb 1.18 -0.08 -0.15 0.00 0.08 0.00 0.00 32.23 33.27 2omo h LYS 57 CO 0.64 0.55 -0.69 0.95 -0.57 0.00 0.00 179.45 180.33 2omo s THR 58 N -4.98 0.40 0.28 -0.16 -4.23 -1.26 -4.37 115.64 101.32 2omo s THR 58 Ca -0.08 -1.85 -0.00 0.00 -1.18 0.00 0.00 61.69 58.58 2omo s THR 58 Cb 0.15 -1.58 0.13 0.00 1.34 0.00 0.00 72.50 72.55 2omo s THR 58 CO 0.76 -0.95 1.80 -0.09 -0.54 0.00 0.00 174.62 175.60 2omo h ARG 59 N 3.09 0.73 -0.80 3.99 2.43 -1.89 -2.77 114.38 119.16 2omo h ARG 59 Ca -0.34 -0.18 0.09 0.00 -0.81 0.00 0.00 59.98 58.74 2omo h ARG 59 Cb 1.15 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.55 2omo h ARG 59 CO 0.65 0.73 0.52 1.57 -1.51 0.00 0.00 179.97 181.93 2omo h LYS 60 N 0.69 0.75 -0.24 0.20 -0.00 -1.98 0.11 116.57 116.10 2omo h LYS 60 Ca 0.14 -0.05 -0.02 0.00 -0.00 0.00 0.00 60.65 60.73 2omo h LYS 60 Cb 0.39 -0.17 -0.01 0.00 -0.00 0.00 0.00 32.23 32.45 2omo h LYS 60 CO 0.01 0.50 0.08 -0.44 -0.00 0.00 0.00 179.45 179.60 2omo h ASP 61 N 0.77 0.34 -0.72 7.07 3.32 -1.85 -2.54 116.42 122.81 2omo h ASP 61 Ca 0.36 -0.20 -0.07 0.00 0.02 0.00 0.00 57.03 57.15 2omo h ASP 61 Cb 0.39 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 2omo h ASP 61 CO -0.14 0.45 0.19 0.00 -1.72 0.00 0.00 179.24 178.02 2omo h ALA 62 N 0.91 0.95 -0.74 3.45 0.00 -1.33 -2.70 119.26 119.80 2omo h ALA 62 Ca 0.08 -0.24 0.12 0.00 0.00 0.00 0.00 54.91 54.86 2omo h ALA 62 Cb 0.22 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 2omo h ALA 62 CO -0.00 0.66 0.49 0.00 0.00 0.00 0.00 179.25 180.40 2omo h ALA 63 N 1.10 1.94 0.00 0.00 0.00 -0.69 -0.54 119.26 121.07 2omo h ALA 63 Ca 0.23 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 2omo h ALA 63 Cb 0.35 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2omo h ALA 63 CO -0.00 -0.11 -0.30 0.00 0.00 0.00 0.00 179.25 178.84 2omo h ALA 64 N 1.64 0.97 -0.65 0.00 0.00 -1.13 -3.22 119.26 116.87 2omo h ALA 64 Ca 0.35 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 2omo h ALA 64 Cb 0.61 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2omo h ALA 64 CO -0.12 0.38 0.09 1.25 0.00 0.00 0.00 179.25 180.85 2omo h HIS 65 N 0.00 1.16 0.00 0.00 6.17 -0.96 -2.16 115.15 119.36 2omo h HIS 65 Ca -0.00 -0.17 0.00 0.00 0.71 0.00 0.00 60.37 60.91 2omo h HIS 65 Cb 0.87 -0.32 0.00 0.00 2.52 0.00 0.00 27.41 30.48 2omo h HIS 65 CO 0.00 0.98 0.00 1.63 0.71 0.00 0.00 177.93 181.25 2omo n LYS 66 N -4.23 0.01 0.00 5.26 5.02 -1.22 -2.22 118.16 120.78 2omo n LYS 66 Ca 0.04 0.31 0.12 0.00 -2.02 0.00 0.00 58.31 56.76 2omo n LYS 66 Cb 0.30 -1.51 0.26 0.00 -0.02 0.00 0.00 35.03 34.06 2omo n LYS 66 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2omo n GLU 67 N -1.52 0.86 -2.71 1.97 4.71 -0.82 -4.74 120.64 118.39 2omo n GLU 67 Ca 0.03 -0.58 -0.33 0.00 -0.01 0.00 0.00 57.16 56.27 2omo n GLU 67 Cb 0.14 -1.49 -0.06 0.00 -1.01 0.00 0.00 31.44 29.02 2omo n GLU 67 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 2omo s THR 68 N -2.54 4.22 0.12 2.62 -4.23 -0.94 -4.97 115.64 109.92 2omo s THR 68 Ca 0.22 1.36 -0.21 0.00 -1.18 0.00 0.00 61.69 61.87 2omo s THR 68 Cb 0.19 -3.56 -0.04 0.00 1.34 0.00 0.00 72.50 70.42 2omo s THR 68 CO 0.55 -0.32 1.70 0.00 -0.54 0.00 0.00 174.62 176.01 2omo h ALA 69 N 1.73 0.03 -0.42 3.99 0.00 -1.93 -2.74 119.26 119.93 2omo h ALA 69 Ca -0.49 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 2omo h ALA 69 Cb 1.19 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 2omo h ALA 69 CO 0.60 -0.53 0.25 1.12 0.00 0.00 0.00 179.25 180.69 2omo h HIS 70 N -0.08 0.54 -0.46 0.00 2.07 -1.93 0.83 115.15 116.13 2omo h HIS 70 Ca 0.08 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.50 2omo h HIS 70 Cb 0.19 -0.18 -0.02 0.00 2.57 0.00 0.00 27.41 29.97 2omo h HIS 70 CO -0.21 0.37 -0.12 -0.92 -3.07 0.00 0.00 177.93 173.97 2omo h TYR 71 N 0.58 0.94 -0.20 6.12 3.20 -1.76 -2.10 116.97 123.75 2omo h TYR 71 Ca 0.15 -0.18 -0.06 0.00 3.14 0.00 0.00 58.73 61.78 2omo h TYR 71 Cb -0.02 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.01 2omo h TYR 71 CO 0.00 0.92 -0.10 -0.07 -1.64 0.00 0.00 178.16 177.27 2omo h LEU 72 N 0.76 0.43 0.06 2.82 3.38 -0.81 -0.84 115.31 121.11 2omo h LEU 72 Ca 0.12 -0.41 0.02 0.00 0.09 0.00 0.00 57.88 57.70 2omo h LEU 72 Cb 0.63 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 2omo h LEU 72 CO 0.04 0.74 -0.45 0.74 0.09 0.00 0.00 178.44 179.60 2omo h THR 73 N 0.11 0.11 0.31 0.22 2.02 -0.97 -2.06 112.91 112.64 2omo h THR 73 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.22 2omo h THR 73 Cb 0.58 0.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.06 2omo h THR 73 CO 0.03 0.00 -0.51 -0.25 0.37 0.00 0.00 175.52 175.16 2omo h TRP 74 N -0.65 -1.43 -0.97 3.16 7.01 -1.35 -1.45 115.95 120.28 2omo h TRP 74 Ca 0.03 0.02 0.19 0.00 2.11 0.00 0.00 58.89 61.24 2omo h TRP 74 Cb 0.69 0.58 -0.18 0.00 -2.10 0.00 0.00 29.16 28.16 2omo h TRP 74 CO -0.42 -0.63 -0.27 -0.09 -2.79 0.00 0.00 178.44 174.24 2omo h ARG 75 N -0.87 -0.00 -0.34 2.65 2.43 -1.16 -1.57 114.38 115.52 2omo h ARG 75 Ca -0.03 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 58.97 2omo h ARG 75 Cb 0.81 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.36 2omo h ARG 75 CO -0.18 -0.00 -0.44 -0.44 -1.51 0.00 0.00 179.97 177.41 2omo h ASP 76 N -0.00 0.97 -0.15 -3.80 5.19 -1.02 -3.05 116.42 114.56 2omo h ASP 76 Ca 0.44 -0.49 -0.02 0.00 -0.62 0.00 0.00 57.03 56.34 2omo h ASP 76 Cb 0.69 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.91 2omo h ASP 76 CO -0.99 1.27 0.03 0.74 -3.12 0.00 0.00 179.24 177.18 2omo h THR 77 N 0.70 1.21 0.00 0.35 2.02 -0.29 -3.19 112.91 113.71 2omo h THR 77 Ca 0.04 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.57 2omo h THR 77 Cb 1.04 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.80 2omo h THR 77 CO 0.10 0.20 -0.27 0.55 0.37 0.00 0.00 175.52 176.47 2omo n VAL 78 N -4.81 0.31 -0.33 3.16 3.14 -0.90 -4.23 118.33 114.68 2omo n VAL 78 Ca -0.05 -0.18 0.29 0.00 -2.96 0.00 0.00 64.34 61.44 2omo n VAL 78 Cb 0.17 -0.30 0.63 0.00 -1.06 0.00 0.00 33.84 33.27 2omo n VAL 78 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2omo h ALA 79 N 2.68 2.68 0.00 1.55 0.00 -1.51 0.26 119.26 124.92 2omo h ALA 79 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2omo h ALA 79 Cb 0.66 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2omo h ALA 79 CO 0.00 -1.07 0.00 -3.47 0.00 0.00 0.00 179.25 174.71 2omo n ASP 80 N -4.42 0.79 -4.25 0.00 -0.08 -1.26 -5.01 116.55 102.31 2omo n ASP 80 Ca 0.26 0.59 -0.43 0.00 -1.51 0.00 0.00 54.79 53.70 2omo n ASP 80 Cb 1.08 -0.79 -0.04 0.00 2.34 0.00 0.00 41.12 43.71 2omo n ASP 80 CO 0.00 0.00 0.00 0.26 0.12 0.00 0.00 177.20 177.58 2omo s TRP 81 N -3.12 3.81 0.00 -0.67 0.51 0.93 -5.03 118.94 115.37 2omo s TRP 81 Ca 0.10 -2.46 0.00 0.00 -2.12 0.00 0.00 56.10 51.62 2omo s TRP 81 Cb 0.12 -3.60 0.00 0.00 -0.81 0.00 0.00 33.47 29.18 2omo s TRP 81 CO 0.57 -0.91 0.00 0.00 -0.51 0.00 0.00 176.95 176.10 2omo n ALA 83 N 3.34 0.04 -3.40 0.98 0.00 0.37 -1.15 120.51 120.70 2omo n ALA 83 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.49 2omo n ALA 83 Cb 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 2omo n ALA 83 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2omo s GLU 84 N -0.03 1.33 0.16 0.00 2.02 -1.20 -4.99 118.70 115.99 2omo s GLU 84 Ca 0.00 -0.62 -0.32 0.00 0.02 0.00 0.00 54.97 54.05 2omo s GLU 84 Cb 0.00 0.57 -0.17 0.00 0.10 0.00 0.00 34.13 34.63 2omo s GLU 84 CO 0.00 -0.58 0.88 -2.30 0.02 0.00 0.00 175.26 173.28 2omo n PRO 85 N -0.36 0.50 -2.16 0.39 -0.02 -1.26 -4.49 135.00 127.60 2omo n PRO 85 Ca -0.14 0.18 -0.40 0.00 -2.02 0.00 0.00 63.50 61.12 2omo n PRO 85 Cb 0.64 -1.47 -0.02 0.00 -0.02 0.00 0.00 33.50 32.64 2omo n PRO 85 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2omo s ARG 86 N -0.69 4.18 -0.09 -0.52 0.52 -1.26 -4.80 118.95 116.29 2omo s ARG 86 Ca 0.71 2.08 0.03 0.00 -0.52 0.00 0.00 55.73 58.04 2omo s ARG 86 Cb -0.95 -2.88 0.01 0.00 0.52 0.00 0.00 34.95 31.64 2omo s ARG 86 CO 0.56 -0.29 -0.19 0.15 0.02 0.00 0.00 175.30 175.54 2omo s LYS 87 N -2.03 2.52 -0.13 3.54 1.02 -0.93 -4.98 119.74 118.75 2omo s LYS 87 Ca 0.53 -0.70 0.00 0.00 0.02 0.00 0.00 55.97 55.83 2omo s LYS 87 Cb -0.37 -1.95 -0.01 0.00 -0.52 0.00 0.00 37.83 34.98 2omo s LYS 87 CO 0.48 0.12 -0.14 0.20 -0.92 0.00 0.00 175.35 175.09 2omo s GLY 88 N 0.47 1.53 -0.15 -3.33 0.00 -1.26 0.14 107.32 104.72 2omo s GLY 88 Ca -0.17 -0.90 0.01 0.00 0.00 0.00 0.00 44.72 43.66 2omo s GLY 88 CO 0.07 -0.19 -0.17 0.14 0.00 0.00 0.00 173.10 172.94 2omo s VAL 89 N 0.37 1.79 0.05 1.40 1.01 -0.22 -4.93 120.40 119.86 2omo s VAL 89 Ca -0.11 -0.79 -0.19 0.00 0.00 0.00 0.00 61.98 60.89 2omo s VAL 89 Cb -0.16 -1.63 -0.06 0.00 0.00 0.00 0.00 36.38 34.53 2omo s VAL 89 CO 0.06 0.50 0.56 -0.63 0.00 0.00 0.00 175.10 175.59 2omo s ILE 90 N 1.22 4.79 0.10 2.22 1.01 -1.26 -1.40 121.20 127.88 2omo s ILE 90 Ca 0.01 1.20 0.02 0.00 0.00 0.00 0.00 60.65 61.88 2omo s ILE 90 Cb -0.14 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 2omo s ILE 90 CO -0.08 0.53 -0.08 -0.31 0.00 0.00 0.00 174.94 175.00 2omo s TYR 91 N -0.92 0.97 0.02 3.97 2.02 0.91 -5.01 117.35 119.31 2omo s TYR 91 Ca 0.29 -0.84 0.02 0.00 -0.37 0.00 0.00 57.07 56.17 2omo s TYR 91 Cb -0.19 -0.54 -0.04 0.00 -0.40 0.00 0.00 41.96 40.79 2omo s TYR 91 CO 0.18 -0.09 0.02 0.20 -1.57 0.00 0.00 175.55 174.30 2omo s GLY 92 N -2.93 1.92 -0.17 0.71 0.00 -1.26 -2.08 107.32 103.51 2omo s GLY 92 Ca 0.11 -0.97 -0.26 0.00 0.00 0.00 0.00 44.72 43.60 2omo s GLY 92 CO -0.03 -0.87 0.87 -0.32 0.00 0.00 0.00 173.10 172.75 2omo s GLY 93 N -1.80 2.09 0.00 0.20 0.00 -1.26 -4.90 107.32 101.65 2omo s GLY 93 Ca 0.22 0.09 0.27 0.00 0.00 0.00 0.00 44.72 45.30 2omo s GLY 93 CO 0.13 1.75 1.65 1.04 0.00 0.00 0.00 173.10 177.67