#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2omo s HIS 0 N 0.00 0.06 -0.21 1.61 -3.43 -1.10 -4.65 115.29 107.56 2omo s HIS 0 Ca 0.00 -0.55 -0.09 0.00 -0.80 0.00 0.00 55.06 53.61 2omo s HIS 0 Cb 0.00 -0.72 0.08 0.00 -1.43 0.00 0.00 32.58 30.51 2omo s HIS 0 CO 0.00 -0.80 0.49 -0.47 -2.00 0.00 0.00 174.74 171.95 2omo s TYR 2 N 2.19 -0.84 -0.04 0.38 5.04 0.26 -4.62 117.35 119.71 2omo s TYR 2 Ca 0.08 1.63 0.03 0.00 -2.44 0.00 0.00 57.07 56.37 2omo s TYR 2 Cb -0.15 0.40 0.01 0.00 0.35 0.00 0.00 41.96 42.57 2omo s TYR 2 CO -0.31 -0.46 -0.12 0.08 -1.34 0.00 0.00 175.55 173.40 2omo s VAL 3 N 2.07 1.03 -0.17 3.14 1.01 -0.53 -0.83 120.40 126.12 2omo s VAL 3 Ca -0.06 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.46 2omo s VAL 3 Cb -0.10 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.38 2omo s VAL 3 CO -0.15 0.32 -0.19 -0.89 0.00 0.00 0.00 175.10 174.19 2omo s THR 4 N 0.35 2.23 -0.30 3.92 2.01 0.03 -0.30 115.64 123.57 2omo s THR 4 Ca -0.07 -0.90 -0.15 0.00 0.31 0.00 0.00 61.69 60.88 2omo s THR 4 Cb -0.12 -1.93 -0.03 0.00 0.01 0.00 0.00 72.50 70.43 2omo s THR 4 CO 0.02 0.53 0.37 -0.63 -0.69 0.00 0.00 174.62 174.22 2omo s ILE 5 N 1.10 5.17 -0.21 1.82 1.01 0.07 -1.38 121.20 128.79 2omo s ILE 5 Ca 0.00 0.36 -0.07 0.00 0.00 0.00 0.00 60.65 60.94 2omo s ILE 5 Cb -0.14 -3.74 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 2omo s ILE 5 CO -0.07 0.06 0.06 -0.69 0.00 0.00 0.00 174.94 174.29 2omo s VAL 6 N 2.06 4.49 -0.24 2.92 1.01 0.18 -0.97 120.40 129.86 2omo s VAL 6 Ca 0.14 -0.12 -0.08 0.00 0.00 0.00 0.00 61.98 61.92 2omo s VAL 6 Cb -0.16 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 2omo s VAL 6 CO 0.11 0.40 0.08 -0.31 0.00 0.00 0.00 175.10 175.37 2omo s TYR 7 N 0.99 3.12 -0.13 5.22 2.02 0.51 -1.15 117.35 127.93 2omo s TYR 7 Ca 0.04 -0.27 0.02 0.00 -0.37 0.00 0.00 57.07 56.49 2omo s TYR 7 Cb -0.14 -2.21 0.01 0.00 -0.40 0.00 0.00 41.96 39.22 2omo s TYR 7 CO 0.03 -0.23 -0.20 0.00 -1.57 0.00 0.00 175.55 173.58 2omo s ALA 8 N 1.35 2.06 -0.31 3.71 0.00 0.14 -2.03 121.76 126.69 2omo s ALA 8 Ca 0.05 -0.97 -0.11 0.00 0.00 0.00 0.00 51.96 50.93 2omo s ALA 8 Cb -0.15 -0.93 -0.03 0.00 0.00 0.00 0.00 23.12 22.01 2omo s ALA 8 CO 0.04 -0.03 0.20 0.45 0.00 0.00 0.00 175.76 176.42 2omo s SER 9 N 0.85 5.91 -0.03 0.00 0.15 -1.26 -0.70 113.70 118.62 2omo s SER 9 Ca -0.07 -0.31 -0.02 0.00 0.70 0.00 0.00 55.95 56.25 2omo s SER 9 Cb -0.15 -2.10 -0.04 0.00 -1.71 0.00 0.00 66.02 62.02 2omo s SER 9 CO -0.01 -0.16 0.08 -0.69 1.20 0.00 0.00 173.24 173.65 2omo s VAL 10 N 1.71 4.79 0.59 4.45 1.01 0.12 -0.15 120.40 132.92 2omo s VAL 10 Ca 0.06 -0.29 -0.20 0.00 0.00 0.00 0.00 61.98 61.56 2omo s VAL 10 Cb -0.17 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 2omo s VAL 10 CO 0.10 0.43 1.19 0.29 0.00 0.00 0.00 175.10 177.10 2omo n LYS 11 N 1.45 1.24 -0.35 2.72 5.02 0.44 -4.63 118.16 124.05 2omo n LYS 11 Ca -0.15 0.47 0.02 0.00 -2.02 0.00 0.00 58.31 56.63 2omo n LYS 11 Cb 0.53 -2.39 0.16 0.00 -0.02 0.00 0.00 35.03 33.30 2omo n LYS 11 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2omo h THR 12 N 0.86 1.09 -0.39 -0.18 2.02 -1.97 -1.86 112.91 112.48 2omo h THR 12 Ca -0.50 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.30 2omo h THR 12 Cb 1.34 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 2omo h THR 12 CO 0.54 0.21 0.00 -0.90 0.37 0.00 0.00 175.52 175.73 2omo n ASP 13 N -4.53 3.12 -0.12 4.18 5.75 -1.26 -3.94 116.55 119.74 2omo n ASP 13 Ca 0.14 -2.29 0.01 0.00 -0.01 0.00 0.00 54.79 52.65 2omo n ASP 13 Cb 0.17 -0.46 0.02 0.00 -1.03 0.00 0.00 41.12 39.82 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 0.57 1.26 -0.22 0.11 4.01 -0.70 -4.78 118.16 118.41 2omo n LYS 14 Ca 0.16 -1.16 -0.07 0.00 -0.51 0.00 0.00 58.31 56.72 2omo n LYS 14 Cb 0.60 -1.05 0.03 0.00 -0.51 0.00 0.00 35.03 34.10 2omo n LYS 14 CO 0.00 0.00 0.00 1.79 -1.11 0.00 0.00 177.40 178.08 2omo h THR 15 N 0.47 1.22 -0.49 -0.18 1.35 -1.68 0.11 112.91 113.71 2omo h THR 15 Ca 0.00 -0.67 -0.10 0.00 -0.55 0.00 0.00 66.41 65.09 2omo h THR 15 Cb 0.34 0.52 -0.02 0.00 -1.73 0.00 0.00 68.15 67.26 2omo h THR 15 CO 0.00 0.27 -0.10 -0.33 -0.25 0.00 0.00 175.52 175.11 2omo h GLU 16 N 0.86 0.93 -0.45 4.72 5.08 -1.91 -1.24 114.58 122.57 2omo h GLU 16 Ca 0.21 -0.35 -0.10 0.00 -1.00 0.00 0.00 59.36 58.12 2omo h GLU 16 Cb 0.16 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2omo h GLU 16 CO -0.02 1.01 -0.11 0.00 -1.00 0.00 0.00 179.01 178.88 2omo h ALA 17 N 0.90 0.95 -0.45 3.43 0.00 -1.87 -2.05 119.26 120.17 2omo h ALA 17 Ca 0.13 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2omo h ALA 17 Cb 0.65 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2omo h ALA 17 CO 0.04 0.62 0.26 0.35 0.00 0.00 0.00 179.25 180.52 2omo h PHE 18 N 0.74 0.61 -0.65 0.00 3.57 -0.46 -0.02 116.94 120.73 2omo h PHE 18 Ca 0.12 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.64 2omo h PHE 18 Cb 0.61 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.12 2omo h PHE 18 CO 0.03 0.44 0.41 -0.22 -2.23 0.00 0.00 178.31 176.74 2omo h LYS 19 N 0.60 0.79 -0.15 1.11 3.64 -1.04 -0.74 116.57 120.78 2omo h LYS 19 Ca 0.16 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.45 2omo h LYS 19 Cb 0.02 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.66 2omo h LYS 19 CO -0.03 0.52 -0.08 1.49 -2.27 0.00 0.00 179.45 179.08 2omo h GLU 20 N 0.81 0.31 -0.99 1.90 4.57 -1.03 -0.25 114.58 119.91 2omo h GLU 20 Ca 0.26 -0.14 0.04 0.00 -1.18 0.00 0.00 59.36 58.33 2omo h GLU 20 Cb -0.01 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.52 2omo h GLU 20 CO -0.09 0.65 0.65 0.00 -1.18 0.00 0.00 179.01 179.04 2omo h ALA 21 N 0.65 1.36 -0.01 2.92 0.00 -0.94 -2.92 119.26 120.32 2omo h ALA 21 Ca 0.03 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 2omo h ALA 21 Cb 0.57 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2omo h ALA 21 CO 0.02 0.55 -0.77 1.15 0.00 0.00 0.00 179.25 180.20 2omo h THR 22 N 1.25 1.50 0.00 0.00 2.02 -1.01 -2.82 112.91 113.85 2omo h THR 22 Ca 0.39 -2.49 0.00 0.00 0.77 0.00 0.00 66.41 65.08 2omo h THR 22 Cb 0.00 2.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 2omo h THR 22 CO -0.12 0.72 0.00 -1.14 0.37 0.00 0.00 175.52 175.35 2omo n ARG 23 N -3.69 0.00 0.00 6.66 0.63 -0.11 -0.06 116.66 120.09 2omo n ARG 23 Ca -0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 2omo n ARG 23 Cb 0.73 -0.88 0.00 0.00 0.45 0.00 0.00 32.46 32.76 2omo n ARG 23 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2omo n ASN 25 N 0.39 0.00 -0.09 6.15 5.15 -1.07 -0.94 115.26 124.85 2omo n ASN 25 Ca 0.00 0.00 -0.06 0.00 -0.60 0.00 0.00 54.58 53.92 2omo n ASN 25 Cb 0.00 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.26 2omo n ASN 25 CO 0.00 0.00 0.00 -0.74 1.40 0.00 0.00 177.26 177.92 2omo h HIS 26 N 0.00 -0.08 -0.38 1.20 2.76 -0.78 0.17 115.15 118.05 2omo h HIS 26 Ca 0.00 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.16 2omo h HIS 26 Cb 0.00 0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.03 2omo h HIS 26 CO 0.00 -0.09 0.10 0.93 -1.30 0.00 0.00 177.93 177.57 2omo h GLU 27 N 0.05 0.55 0.14 5.26 5.08 -1.29 -1.75 114.58 122.62 2omo h GLU 27 Ca 0.16 -0.09 -0.29 0.00 -1.00 0.00 0.00 59.36 58.14 2omo h GLU 27 Cb 0.23 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2omo h GLU 27 CO -0.30 0.50 -1.37 1.96 -1.00 0.00 0.00 179.01 178.80 2omo h GLN 28 N 0.54 0.29 -0.06 2.33 1.08 -1.77 -3.38 115.11 114.15 2omo h GLN 28 Ca 0.13 -0.50 -0.14 0.00 -1.45 0.00 0.00 58.65 56.69 2omo h GLN 28 Cb 0.20 0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.80 2omo h GLN 28 CO -0.01 1.21 -0.57 0.77 -0.95 0.00 0.00 178.83 179.28 2omo h SER 29 N 0.08 0.21 0.61 1.46 0.02 -0.36 -2.29 113.55 113.28 2omo h SER 29 Ca -0.19 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 2omo h SER 29 Cb 2.01 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 64.49 2omo h SER 29 CO 0.20 0.74 0.00 2.30 -1.14 0.00 0.00 176.83 178.92 2omo n ILE 30 N -3.89 0.92 0.80 3.27 -5.35 -0.71 -2.31 119.36 112.08 2omo n ILE 30 Ca -0.02 0.26 0.12 0.00 -0.27 0.00 0.00 62.75 62.84 2omo n ILE 30 Cb 0.59 -1.14 0.17 0.00 -1.74 0.00 0.00 39.64 37.52 2omo n ILE 30 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2omo n ARG 31 N -1.98 0.14 -1.92 6.28 1.74 -0.86 -4.81 116.66 115.24 2omo n ARG 31 Ca 0.02 0.02 -0.42 0.00 -0.77 0.00 0.00 57.85 56.71 2omo n ARG 31 Cb 0.20 -1.57 -0.02 0.00 -1.02 0.00 0.00 32.46 30.04 2omo n ARG 31 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2omo s GLU 32 N -3.08 4.21 0.06 5.56 2.02 -0.98 -4.92 118.70 121.57 2omo s GLU 32 Ca 0.08 2.40 -0.35 0.00 0.02 0.00 0.00 54.97 57.12 2omo s GLU 32 Cb 0.16 -3.10 -0.14 0.00 0.10 0.00 0.00 34.13 31.14 2omo s GLU 32 CO 0.73 -0.54 1.59 -2.30 0.02 0.00 0.00 175.26 174.76 2omo n PRO 33 N 2.85 1.85 -0.45 0.39 -0.02 -1.26 -1.46 135.00 136.90 2omo n PRO 33 Ca 0.10 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 2omo n PRO 33 Cb 0.39 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 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 3.45 0.82 3.74 -1.23 0.00 -1.26 -4.85 105.19 105.86 2omo n GLY 34 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.00 3.57 0.69 1.61 3.84 -0.54 0.10 114.94 121.21 2omo s ASN 35 Ca 0.00 1.33 -0.17 0.00 0.21 0.00 0.00 52.86 54.23 2omo s ASN 35 Cb 0.00 -2.01 -0.00 0.00 -0.55 0.00 0.00 41.25 38.69 2omo s ASN 35 CO 0.00 -2.55 1.06 0.54 -2.79 0.00 0.00 177.10 173.36 2omo n ARG 37 N -3.81 0.71 -2.86 0.43 3.00 -0.98 -4.88 116.66 108.26 2omo n ARG 37 Ca 0.07 0.30 -0.12 0.00 -0.01 0.00 0.00 57.85 58.08 2omo n ARG 37 Cb 0.56 -2.30 0.03 0.00 0.00 0.00 0.00 32.46 30.75 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 -2.27 -0.33 -2.32 -1.55 7.35 -1.21 -0.87 117.46 116.26 2omo n PHE 38 Ca 0.14 -2.93 -0.40 0.00 -0.76 0.00 0.00 57.45 53.50 2omo n PHE 38 Cb 0.49 0.20 -0.03 0.00 0.35 0.00 0.00 39.48 40.49 2omo n PHE 38 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2omo s ASP 39 N -2.31 7.00 -0.17 -2.13 1.01 -0.62 -4.80 116.67 114.64 2omo s ASP 39 Ca 0.30 2.43 -0.00 0.00 0.71 0.00 0.00 52.55 55.99 2omo s ASP 39 Cb 0.39 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.69 2omo s ASP 39 CO -0.04 -0.35 -0.15 -0.63 0.21 0.00 0.00 175.17 174.22 2omo s ILE 40 N -1.19 2.60 0.06 0.77 -1.09 -1.26 -0.87 121.20 120.21 2omo s ILE 40 Ca 0.48 -0.78 0.06 0.00 -2.23 0.00 0.00 60.65 58.18 2omo s ILE 40 Cb -0.35 -2.11 -0.03 0.00 -1.58 0.00 0.00 42.46 38.40 2omo s ILE 40 CO 0.45 0.51 -0.17 -0.76 -1.23 0.00 0.00 174.94 173.74 2omo s LEU 41 N 1.07 2.21 -0.11 2.97 1.43 0.58 -4.99 118.68 121.85 2omo s LEU 41 Ca -0.00 -0.54 0.03 0.00 -1.03 0.00 0.00 54.13 52.59 2omo s LEU 41 Cb -0.14 -0.72 -0.00 0.00 0.03 0.00 0.00 46.19 45.35 2omo s LEU 41 CO -0.04 0.05 -0.21 -1.58 0.23 0.00 0.00 176.35 174.79 2omo s GLN 42 N -1.37 3.12 0.28 1.70 0.74 -1.26 -1.02 119.66 121.85 2omo s GLN 42 Ca 0.03 -0.83 -0.30 0.00 0.05 0.00 0.00 55.36 54.31 2omo s GLN 42 Cb -0.09 -2.38 -0.12 0.00 1.10 0.00 0.00 33.01 31.52 2omo s GLN 42 CO 0.02 0.20 1.59 0.45 -0.55 0.00 0.00 175.29 177.00 2omo n SER 43 N 3.50 3.75 0.15 6.67 2.88 0.33 -4.90 113.62 126.01 2omo n SER 43 Ca -0.19 1.14 0.03 0.00 -1.33 0.00 0.00 58.87 58.52 2omo n SER 43 Cb 0.53 -1.57 0.18 0.00 -0.75 0.00 0.00 64.21 62.59 2omo n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2omo h ALA 44 N 4.95 0.82 -0.06 -1.46 0.00 -1.99 -3.26 119.26 118.26 2omo h ALA 44 Ca -0.46 -0.46 -0.16 0.00 0.00 0.00 0.00 54.91 53.82 2omo h ALA 44 Cb 1.23 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2omo h ALA 44 CO 0.81 0.63 -0.69 -0.44 0.00 0.00 0.00 179.25 179.56 2omo h ASP 45 N 0.00 0.32 -1.98 0.00 3.32 -1.97 -3.44 116.42 112.66 2omo h ASP 45 Ca -0.01 -0.20 -0.15 0.00 0.02 0.00 0.00 57.03 56.69 2omo h ASP 45 Cb 1.16 -0.09 -0.30 0.00 0.22 0.00 0.00 39.33 40.32 2omo h ASP 45 CO 0.07 0.91 -0.48 -0.62 -1.72 0.00 0.00 179.24 177.39 2omo s ASP 46 N -6.92 0.25 0.00 6.45 -1.08 -1.23 -5.04 116.67 109.11 2omo s ASP 46 Ca -0.04 0.27 0.15 0.00 -0.52 0.00 0.00 52.55 52.41 2omo s ASP 46 Cb 0.11 1.10 0.68 0.00 -1.46 0.00 0.00 42.92 43.35 2omo s ASP 46 CO 0.81 -0.29 1.48 -0.81 0.52 0.00 0.00 175.17 176.88 2omo n PRO 47 N 5.36 0.04 0.00 4.34 -0.04 -1.25 -1.18 135.00 142.27 2omo n PRO 47 Ca -0.04 0.22 0.14 0.00 -0.04 0.00 0.00 63.50 63.78 2omo n PRO 47 Cb 0.50 -1.50 0.58 0.00 -0.04 0.00 0.00 33.50 33.04 2omo n PRO 47 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2omo n THR 48 N -1.46 0.00 -4.38 0.52 -2.24 -1.26 -4.85 114.28 100.61 2omo n THR 48 Ca 0.04 -0.10 -0.34 0.00 -2.27 0.00 0.00 64.05 61.39 2omo n THR 48 Cb 0.17 0.06 -0.12 0.00 -2.10 0.00 0.00 70.33 68.35 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 -2.37 3.63 0.14 -0.78 0.52 -0.33 -0.70 118.95 119.06 2omo s ARG 49 Ca 0.31 -0.50 0.06 0.00 -0.52 0.00 0.00 55.73 55.08 2omo s ARG 49 Cb 0.20 -2.92 -0.04 0.00 0.52 0.00 0.00 34.95 32.71 2omo s ARG 49 CO 0.45 0.29 -0.13 -0.06 0.02 0.00 0.00 175.30 175.87 2omo s PHE 50 N 0.24 1.42 -0.04 -0.53 0.08 0.12 -0.52 117.98 118.76 2omo s PHE 50 Ca -0.02 -0.60 0.04 0.00 0.12 0.00 0.00 56.93 56.47 2omo s PHE 50 Cb -0.14 -0.73 0.00 0.00 -0.57 0.00 0.00 43.02 41.59 2omo s PHE 50 CO 0.03 0.17 -0.14 0.08 -0.10 0.00 0.00 175.22 175.25 2omo s VAL 51 N -2.48 1.23 -0.26 -0.44 1.01 -0.19 -0.68 120.40 118.59 2omo s VAL 51 Ca 0.12 -0.60 -0.07 0.00 0.00 0.00 0.00 61.98 61.43 2omo s VAL 51 Cb -0.03 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 2omo s VAL 51 CO 0.03 0.36 0.08 -0.76 0.00 0.00 0.00 175.10 174.81 2omo s LEU 52 N 0.15 3.57 -0.52 3.92 1.02 -0.30 -0.31 118.68 126.21 2omo s LEU 52 Ca -0.05 -0.32 -0.12 0.00 0.02 0.00 0.00 54.13 53.66 2omo s LEU 52 Cb -0.11 -1.92 0.13 0.00 0.02 0.00 0.00 46.19 44.30 2omo s LEU 52 CO 0.02 -0.08 0.43 -0.47 0.02 0.00 0.00 176.35 176.27 2omo s TYR 53 N 1.60 3.36 -0.33 0.29 5.04 -0.05 -0.64 117.35 126.62 2omo s TYR 53 Ca 0.06 -1.63 -0.06 0.00 -2.44 0.00 0.00 57.07 53.00 2omo s TYR 53 Cb -0.16 -3.64 0.03 0.00 0.35 0.00 0.00 41.96 38.54 2omo s TYR 53 CO 0.04 -1.00 0.09 -1.21 -1.34 0.00 0.00 175.55 172.12 2omo s GLU 54 N 1.41 2.70 -0.05 4.97 2.02 -0.48 -1.59 118.70 127.69 2omo s GLU 54 Ca 0.05 -1.12 0.05 0.00 0.02 0.00 0.00 54.97 53.97 2omo s GLU 54 Cb -0.27 -3.41 -0.01 0.00 0.10 0.00 0.00 34.13 30.54 2omo s GLU 54 CO 0.01 -0.61 -0.19 0.00 0.02 0.00 0.00 175.26 174.48 2omo s ALA 55 N 1.41 1.71 0.07 5.21 0.00 -0.05 -0.79 121.76 129.33 2omo s ALA 55 Ca -0.01 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.18 2omo s ALA 55 Cb -0.19 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 2omo s ALA 55 CO 0.02 0.32 -0.08 0.71 0.00 0.00 0.00 175.76 176.73 2omo s TYR 56 N -0.03 0.85 0.25 0.00 2.02 -0.01 -2.33 117.35 118.10 2omo s TYR 56 Ca -0.04 -0.68 -0.05 0.00 -0.37 0.00 0.00 57.07 55.94 2omo s TYR 56 Cb -0.12 -0.49 0.28 0.00 -0.40 0.00 0.00 41.96 41.23 2omo s TYR 56 CO 0.03 -0.09 1.85 -0.22 -1.57 0.00 0.00 175.55 175.55 2omo h LYS 57 N 3.76 1.13 -4.57 -0.62 3.64 -0.65 0.75 116.57 120.01 2omo h LYS 57 Ca -0.36 -0.16 -0.21 0.00 -1.27 0.00 0.00 60.65 58.66 2omo h LYS 57 Cb 1.19 -0.21 -0.15 0.00 -0.41 0.00 0.00 32.23 32.65 2omo h LYS 57 CO 0.52 0.86 -0.69 0.95 -2.27 0.00 0.00 179.45 178.82 2omo s THR 58 N -5.66 0.57 0.34 1.00 -4.23 -1.26 -4.38 115.64 102.03 2omo s THR 58 Ca -0.12 -1.91 0.06 0.00 -1.18 0.00 0.00 61.69 58.54 2omo s THR 58 Cb 0.16 -1.70 0.30 0.00 1.34 0.00 0.00 72.50 72.61 2omo s THR 58 CO 0.82 -0.85 1.90 -0.09 -0.54 0.00 0.00 174.62 175.86 2omo h ARG 59 N 2.98 0.77 -0.41 3.99 2.43 -1.86 -2.45 114.38 119.84 2omo h ARG 59 Ca -0.35 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.76 2omo h ARG 59 Cb 1.16 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.52 2omo h ARG 59 CO 0.65 0.51 0.22 -0.22 -1.51 0.00 0.00 179.97 179.62 2omo h LYS 60 N 0.79 0.56 -0.64 0.20 3.64 -1.98 -0.20 116.57 118.95 2omo h LYS 60 Ca 0.41 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.74 2omo h LYS 60 Cb 0.49 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.16 2omo h LYS 60 CO -0.17 0.45 0.40 -0.44 -2.27 0.00 0.00 179.45 177.43 2omo h ASP 61 N 0.52 0.67 -0.57 4.20 3.32 -1.79 -2.27 116.42 120.50 2omo h ASP 61 Ca 0.14 -0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.25 2omo h ASP 61 Cb 0.05 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.40 2omo h ASP 61 CO -0.02 0.47 0.28 0.00 -1.72 0.00 0.00 179.24 178.25 2omo h ALA 62 N 1.27 0.75 -0.82 3.45 0.00 -0.99 -2.62 119.26 120.29 2omo h ALA 62 Ca 0.25 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.23 2omo h ALA 62 Cb -0.01 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 2omo h ALA 62 CO -0.09 -0.08 0.54 0.00 0.00 0.00 0.00 179.25 179.62 2omo h ALA 63 N 1.33 1.48 -0.26 0.00 0.00 -0.64 -2.52 119.26 118.66 2omo h ALA 63 Ca 0.26 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2omo h ALA 63 Cb 0.21 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2omo h ALA 63 CO -0.20 0.44 0.05 0.00 0.00 0.00 0.00 179.25 179.53 2omo h ALA 64 N 1.51 1.60 -0.77 0.00 0.00 -1.04 -2.99 119.26 117.57 2omo h ALA 64 Ca 0.32 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.20 2omo h ALA 64 Cb 0.01 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 2omo h ALA 64 CO -0.09 0.30 0.50 1.25 0.00 0.00 0.00 179.25 181.22 2omo h HIS 65 N 0.37 0.75 0.00 0.00 6.17 -1.31 -1.31 115.15 119.83 2omo h HIS 65 Ca 0.09 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.19 2omo h HIS 65 Cb 0.18 -0.24 0.00 0.00 2.52 0.00 0.00 27.41 29.86 2omo h HIS 65 CO 0.00 0.36 0.00 1.63 0.71 0.00 0.00 177.93 180.64 2omo n LYS 66 N -4.50 0.42 0.00 5.26 5.02 -1.13 -2.30 118.16 120.94 2omo n LYS 66 Ca 0.13 0.02 0.12 0.00 -2.02 0.00 0.00 58.31 56.55 2omo n LYS 66 Cb 0.31 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 33.91 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 -1.27 2.19 -2.97 1.97 1.02 -0.50 -4.79 120.64 116.28 2omo n GLU 67 Ca 0.14 -1.84 -0.34 0.00 -0.02 0.00 0.00 57.16 55.10 2omo n GLU 67 Cb 0.21 -1.45 -0.06 0.00 -0.02 0.00 0.00 31.44 30.12 2omo n GLU 67 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2omo s THR 68 N -1.98 4.51 0.24 2.62 -4.23 -0.97 -4.98 115.64 110.85 2omo s THR 68 Ca 0.27 1.29 -0.06 0.00 -1.18 0.00 0.00 61.69 62.00 2omo s THR 68 Cb 0.19 -3.67 0.23 0.00 1.34 0.00 0.00 72.50 70.59 2omo s THR 68 CO 0.31 -0.16 1.89 0.00 -0.54 0.00 0.00 174.62 176.12 2omo h ALA 69 N 2.34 1.22 -0.54 3.99 0.00 -1.95 -2.21 119.26 122.10 2omo h ALA 69 Ca -0.48 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.28 2omo h ALA 69 Cb 1.18 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2omo h ALA 69 CO 0.64 0.46 -0.08 1.12 0.00 0.00 0.00 179.25 181.39 2omo h HIS 70 N 1.16 1.11 0.05 0.00 2.07 -1.93 -1.12 115.15 116.48 2omo h HIS 70 Ca 0.37 -0.21 -0.00 0.00 -2.85 0.00 0.00 60.37 57.67 2omo h HIS 70 Cb 0.01 -0.28 -0.00 0.00 2.57 0.00 0.00 27.41 29.71 2omo h HIS 70 CO -0.01 1.02 -0.03 -0.92 -3.07 0.00 0.00 177.93 174.91 2omo h TYR 71 N 0.90 -0.08 -0.97 6.12 3.20 -1.73 -1.09 116.97 123.32 2omo h TYR 71 Ca 0.15 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.02 2omo h TYR 71 Cb 0.63 0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.89 2omo h TYR 71 CO 0.04 -0.05 0.64 -0.07 -1.64 0.00 0.00 178.16 177.08 2omo h LEU 72 N -0.08 1.12 -0.33 2.82 3.38 -1.26 0.14 115.31 121.10 2omo h LEU 72 Ca -0.00 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 2omo h LEU 72 Cb 0.07 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2omo h LEU 72 CO -0.00 0.82 -0.03 0.74 0.09 0.00 0.00 178.44 180.05 2omo h THR 73 N 1.32 1.27 0.05 0.22 2.02 -1.15 -1.77 112.91 114.87 2omo h THR 73 Ca 0.36 -1.04 -0.00 0.00 0.77 0.00 0.00 66.41 66.50 2omo h THR 73 Cb -0.15 1.28 -0.00 0.00 -1.74 0.00 0.00 68.15 67.54 2omo h THR 73 CO -0.08 0.34 -0.02 -0.25 0.37 0.00 0.00 175.52 175.88 2omo h TRP 74 N 0.40 -0.06 -0.29 3.16 7.01 -0.66 -0.83 115.95 124.67 2omo h TRP 74 Ca 0.09 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.14 2omo h TRP 74 Cb 0.50 0.02 -0.05 0.00 -2.10 0.00 0.00 29.16 27.54 2omo h TRP 74 CO 0.04 -0.04 0.01 -0.09 -2.79 0.00 0.00 178.44 175.57 2omo h ARG 75 N -0.07 0.10 -0.79 2.65 2.43 -0.65 -1.22 114.38 116.84 2omo h ARG 75 Ca -0.01 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2omo h ARG 75 Cb 0.05 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 2omo h ARG 75 CO 0.01 0.06 0.41 -0.44 -1.51 0.00 0.00 179.97 178.50 2omo h ASP 76 N 0.10 1.00 -0.28 -3.80 3.32 -1.25 -2.66 116.42 112.86 2omo h ASP 76 Ca 0.14 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 2omo h ASP 76 Cb 0.18 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 2omo h ASP 76 CO -0.23 0.83 0.07 0.74 -1.72 0.00 0.00 179.24 178.93 2omo h THR 77 N 1.10 1.21 -0.00 0.35 2.02 -0.60 -3.25 112.91 113.74 2omo h THR 77 Ca 0.27 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.75 2omo h THR 77 Cb 0.07 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 2omo h THR 77 CO -0.04 0.23 -0.31 1.33 0.37 0.00 0.00 175.52 177.10 2omo n VAL 78 N -4.69 0.00 -0.15 3.16 0.24 -0.51 -4.43 118.33 111.95 2omo n VAL 78 Ca -0.03 -0.03 -0.04 0.00 -2.04 0.00 0.00 64.34 62.21 2omo n VAL 78 Cb 0.18 0.09 0.03 0.00 -1.47 0.00 0.00 33.84 32.67 2omo n VAL 78 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2omo h ALA 79 N 3.20 0.24 0.00 2.33 0.00 -1.51 0.68 119.26 124.21 2omo h ALA 79 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2omo h ALA 79 Cb 0.48 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2omo h ALA 79 CO 0.00 -0.49 0.00 -0.25 0.00 0.00 0.00 179.25 178.51 2omo n ASP 80 N -5.37 0.00 -4.36 0.00 8.00 -1.26 -4.96 116.55 108.60 2omo n ASP 80 Ca 0.04 -0.47 -0.45 0.00 0.71 0.00 0.00 54.79 54.62 2omo n ASP 80 Cb 0.28 -0.15 -0.00 0.00 -0.02 0.00 0.00 41.12 41.23 2omo n ASP 80 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2omo s TRP 81 N -2.30 4.08 0.00 1.24 0.51 0.23 -4.99 118.94 117.71 2omo s TRP 81 Ca 0.33 -2.51 0.00 0.00 -2.12 0.00 0.00 56.10 51.81 2omo s TRP 81 Cb 0.19 -3.92 0.00 0.00 -0.81 0.00 0.00 33.47 28.93 2omo s TRP 81 CO 0.37 -1.03 0.00 0.00 -0.51 0.00 0.00 176.95 175.78 2omo n ALA 83 N 3.35 0.40 -3.37 0.98 0.00 0.79 -0.42 120.51 122.25 2omo n ALA 83 Ca 0.25 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.58 2omo n ALA 83 Cb 0.41 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 -1.83 0.00 0.00 0.00 177.50 175.67 2omo s GLU 84 N -0.40 1.30 0.17 0.00 -1.05 -1.25 -5.01 118.70 112.46 2omo s GLU 84 Ca 0.00 -0.61 -0.33 0.00 -0.15 0.00 0.00 54.97 53.88 2omo s GLU 84 Cb 0.00 0.56 -0.15 0.00 -0.44 0.00 0.00 34.13 34.10 2omo s GLU 84 CO 0.00 -0.56 1.26 -2.30 0.95 0.00 0.00 175.26 174.61 2omo n PRO 85 N -0.35 1.39 -1.87 -4.83 -0.02 -1.26 -4.58 135.00 123.47 2omo n PRO 85 Ca -0.15 0.50 -0.35 0.00 -2.02 0.00 0.00 63.50 61.48 2omo n PRO 85 Cb 0.64 -2.06 0.05 0.00 -0.02 0.00 0.00 33.50 32.10 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 -0.17 2.79 -0.11 -0.52 0.52 -1.26 -4.87 118.95 115.32 2omo s ARG 86 Ca 0.74 1.76 0.03 0.00 -0.52 0.00 0.00 55.73 57.74 2omo s ARG 86 Cb -0.82 -1.91 0.01 0.00 0.52 0.00 0.00 34.95 32.75 2omo s ARG 86 CO 0.50 -1.33 -0.20 0.21 0.02 0.00 0.00 175.30 174.50 2omo s LYS 87 N -3.53 2.72 -0.16 3.54 2.47 -0.86 -4.97 119.74 118.96 2omo s LYS 87 Ca 0.76 -0.75 -0.06 0.00 -1.56 0.00 0.00 55.97 54.35 2omo s LYS 87 Cb -0.29 -2.18 -0.04 0.00 -1.46 0.00 0.00 37.83 33.86 2omo s LYS 87 CO 0.36 0.03 0.05 0.20 0.16 0.00 0.00 175.35 176.15 2omo s GLY 88 N 0.71 1.91 -0.16 5.54 0.00 -1.26 -0.36 107.32 113.69 2omo s GLY 88 Ca -0.11 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 43.86 2omo s GLY 88 CO 0.02 -0.10 -0.16 0.14 0.00 0.00 0.00 173.10 173.00 2omo s VAL 89 N 0.02 2.57 -0.05 1.40 1.01 -0.14 -4.95 120.40 120.26 2omo s VAL 89 Ca 0.05 -0.79 -0.14 0.00 0.00 0.00 0.00 61.98 61.10 2omo s VAL 89 Cb -0.12 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 34.12 2omo s VAL 89 CO 0.01 0.51 0.37 -0.63 0.00 0.00 0.00 175.10 175.36 2omo s ILE 90 N 0.96 5.14 0.09 2.22 1.01 -1.26 -0.75 121.20 128.61 2omo s ILE 90 Ca -0.03 0.74 0.03 0.00 0.00 0.00 0.00 60.65 61.39 2omo s ILE 90 Cb -0.15 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 2omo s ILE 90 CO -0.03 0.53 -0.09 -0.31 0.00 0.00 0.00 174.94 175.04 2omo s TYR 91 N -0.69 0.99 -0.15 3.97 2.02 0.59 -5.02 117.35 119.06 2omo s TYR 91 Ca 0.22 -0.68 -0.08 0.00 -0.37 0.00 0.00 57.07 56.17 2omo s TYR 91 Cb -0.15 -0.55 -0.04 0.00 -0.40 0.00 0.00 41.96 40.81 2omo s TYR 91 CO 0.11 -0.03 0.12 0.20 -1.57 0.00 0.00 175.55 174.38 2omo s GLY 92 N -2.43 2.09 -0.37 0.71 0.00 -1.26 -1.46 107.32 104.59 2omo s GLY 92 Ca 0.05 -0.67 -0.22 0.00 0.00 0.00 0.00 44.72 43.87 2omo s GLY 92 CO -0.01 -0.20 0.74 -0.32 0.00 0.00 0.00 173.10 173.31 2omo s GLY 93 N -0.49 1.68 0.04 0.20 0.00 -1.26 -4.91 107.32 102.57 2omo s GLY 93 Ca 0.12 -0.76 -0.18 0.00 0.00 0.00 0.00 44.72 43.90 2omo s GLY 93 CO 0.02 1.68 1.22 1.41 0.00 0.00 0.00 173.10 177.43 2omo h LEU 94 N 9.69 0.61 -7.71 0.66 3.38 -1.98 -2.92 115.31 117.03 2omo h LEU 94 Ca -0.25 -0.65 -0.27 0.00 0.09 0.00 0.00 57.88 56.80 2omo h LEU 94 Cb 1.10 -0.18 -0.30 0.00 0.09 0.00 0.00 40.66 41.37 2omo h LEU 94 CO 0.90 1.16 -0.73 -0.31 0.09 0.00 0.00 178.44 179.54 2omo s TYR 95 N -3.65 0.13 0.51 1.13 2.02 -1.26 -3.97 117.35 112.26 2omo s TYR 95 Ca -0.13 0.00 -0.21 0.00 -0.37 0.00 0.00 57.07 56.36 2omo s TYR 95 Cb 0.05 -0.15 -0.06 0.00 -0.40 0.00 0.00 41.96 41.40 2omo s TYR 95 CO 0.83 -0.03 1.19 -1.25 -1.57 0.00 0.00 175.55 174.71 2omo s PRO 96 N 0.29 3.44 0.00 -1.71 0.04 -1.26 -5.16 135.00 130.64 2omo s PRO 96 Ca -0.02 1.81 0.26 0.00 0.04 0.00 0.00 61.00 63.09 2omo s PRO 96 Cb -0.04 -2.21 1.57 0.00 0.04 0.00 0.00 34.50 33.85 2omo s PRO 96 CO -0.01 -0.82 1.92 0.25 0.04 0.00 0.00 177.00 178.38