#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2omo s VAL 3 N 0.00 1.74 -0.23 2.97 1.01 -0.26 -0.11 120.40 125.53 2omo s VAL 3 Ca 0.00 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.14 2omo s VAL 3 Cb 0.00 -1.55 -0.00 0.00 0.00 0.00 0.00 36.38 34.83 2omo s VAL 3 CO 0.00 0.49 -0.04 -0.89 0.00 0.00 0.00 175.10 174.66 2omo s THR 4 N 0.76 3.31 -0.31 3.92 2.01 0.16 0.93 115.64 126.41 2omo s THR 4 Ca -0.10 -0.58 -0.17 0.00 0.31 0.00 0.00 61.69 61.14 2omo s THR 4 Cb -0.16 -2.54 -0.02 0.00 0.01 0.00 0.00 72.50 69.80 2omo s THR 4 CO 0.01 0.38 0.47 -0.63 -0.69 0.00 0.00 174.62 174.16 2omo s ILE 5 N 1.46 5.08 -0.22 1.82 1.01 -0.14 -1.72 121.20 128.48 2omo s ILE 5 Ca 0.05 0.50 -0.06 0.00 0.00 0.00 0.00 60.65 61.14 2omo s ILE 5 Cb -0.15 -3.86 -0.02 0.00 0.01 0.00 0.00 42.46 38.44 2omo s ILE 5 CO -0.03 -0.05 0.02 -0.69 0.00 0.00 0.00 174.94 174.19 2omo s VAL 6 N 2.27 4.01 -0.26 2.92 1.01 -0.05 -1.17 120.40 129.13 2omo s VAL 6 Ca 0.18 -0.28 -0.09 0.00 0.00 0.00 0.00 61.98 61.79 2omo s VAL 6 Cb -0.16 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 2omo s VAL 6 CO 0.11 0.39 0.12 -0.31 0.00 0.00 0.00 175.10 175.42 2omo s TYR 7 N 1.31 3.14 -0.22 5.22 2.02 0.46 -1.03 117.35 128.26 2omo s TYR 7 Ca 0.04 -0.20 -0.02 0.00 -0.37 0.00 0.00 57.07 56.52 2omo s TYR 7 Cb -0.15 -2.29 0.01 0.00 -0.40 0.00 0.00 41.96 39.13 2omo s TYR 7 CO 0.02 -0.27 -0.09 0.00 -1.57 0.00 0.00 175.55 173.63 2omo s ALA 8 N 1.66 2.66 -0.40 3.71 0.00 -0.63 -1.39 121.76 127.37 2omo s ALA 8 Ca 0.07 -1.25 -0.18 0.00 0.00 0.00 0.00 51.96 50.59 2omo s ALA 8 Cb -0.15 -1.57 0.01 0.00 0.00 0.00 0.00 23.12 21.41 2omo s ALA 8 CO 0.07 -0.50 0.51 -1.54 0.00 0.00 0.00 175.76 174.30 2omo s SER 9 N 1.39 6.26 -0.04 0.00 1.04 -1.26 -1.36 113.70 119.74 2omo s SER 9 Ca 0.04 -0.35 -0.03 0.00 0.48 0.00 0.00 55.95 56.09 2omo s SER 9 Cb -0.14 -2.26 -0.04 0.00 0.10 0.00 0.00 66.02 63.68 2omo s SER 9 CO -0.06 -0.59 0.14 -0.69 0.98 0.00 0.00 173.24 173.03 2omo s VAL 10 N 2.39 5.26 0.39 5.02 1.01 -0.19 -0.83 120.40 133.45 2omo s VAL 10 Ca 0.17 -0.11 -0.25 0.00 0.00 0.00 0.00 61.98 61.78 2omo s VAL 10 Cb -0.16 -3.39 -0.11 0.00 0.00 0.00 0.00 36.38 32.72 2omo s VAL 10 CO 0.15 0.42 1.05 0.29 0.00 0.00 0.00 175.10 177.02 2omo n LYS 11 N 1.33 1.47 -0.23 2.72 5.02 -0.35 -4.70 118.16 123.42 2omo n LYS 11 Ca -0.14 0.52 0.09 0.00 -2.02 0.00 0.00 58.31 56.76 2omo n LYS 11 Cb 0.53 -2.06 0.36 0.00 -0.02 0.00 0.00 35.03 33.84 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 1.76 0.94 -0.47 -0.18 2.02 -1.96 -1.44 112.91 113.58 2omo h THR 12 Ca -0.44 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.49 2omo h THR 12 Cb 1.33 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 2omo h THR 12 CO 0.58 0.14 0.00 -0.90 0.37 0.00 0.00 175.52 175.71 2omo n ASP 13 N -4.51 3.20 -0.00 4.18 5.75 -1.26 -3.83 116.55 120.08 2omo n ASP 13 Ca 0.14 -2.20 0.00 0.00 -0.01 0.00 0.00 54.79 52.71 2omo n ASP 13 Cb 0.33 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 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 0.81 2.02 -0.17 0.11 4.76 -0.55 -4.80 118.16 120.33 2omo n LYS 14 Ca 0.18 -1.26 -0.02 0.00 -2.87 0.00 0.00 58.31 54.34 2omo n LYS 14 Cb 0.58 -1.00 0.08 0.00 -1.84 0.00 0.00 35.03 32.85 2omo n LYS 14 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2omo h THR 15 N 0.01 0.73 -0.13 -0.18 1.03 -1.64 0.82 112.91 113.55 2omo h THR 15 Ca 0.00 -0.10 -0.22 0.00 -0.01 0.00 0.00 66.41 66.09 2omo h THR 15 Cb 0.38 0.43 0.01 0.00 -1.07 0.00 0.00 68.15 67.89 2omo h THR 15 CO 0.00 0.05 -0.78 -0.33 -0.01 0.00 0.00 175.52 174.45 2omo h GLU 16 N 0.28 0.70 -0.96 0.00 4.39 -1.89 -2.90 114.58 114.20 2omo h GLU 16 Ca 0.27 -0.58 0.02 0.00 0.34 0.00 0.00 59.36 59.41 2omo h GLU 16 Cb 0.35 0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 29.07 2omo h GLU 16 CO -0.32 1.19 0.63 0.00 -1.16 0.00 0.00 179.01 179.36 2omo h ALA 17 N 0.64 1.25 -0.06 3.43 0.00 -1.81 -2.34 119.26 120.38 2omo h ALA 17 Ca -0.05 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2omo h ALA 17 Cb 1.40 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 2omo h ALA 17 CO 0.15 0.56 0.02 0.35 0.00 0.00 0.00 179.25 180.34 2omo h PHE 18 N 1.26 0.08 -0.68 0.00 3.57 -0.77 -1.63 116.94 118.77 2omo h PHE 18 Ca 0.37 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.89 2omo h PHE 18 Cb -0.07 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.60 2omo h PHE 18 CO -0.01 0.20 0.43 0.87 -2.23 0.00 0.00 178.31 177.57 2omo h LYS 19 N -0.05 0.82 -0.02 1.11 1.57 -1.44 0.07 116.57 118.62 2omo h LYS 19 Ca 0.02 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2omo h LYS 19 Cb 0.15 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 2omo h LYS 19 CO -0.00 0.54 0.01 1.49 -0.57 0.00 0.00 179.45 180.92 2omo h GLU 20 N 0.84 0.03 -0.30 3.15 4.81 -1.28 -2.41 114.58 119.42 2omo h GLU 20 Ca 0.27 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.42 2omo h GLU 20 Cb 0.01 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 2omo h GLU 20 CO -0.10 0.08 -0.17 0.00 -0.73 0.00 0.00 179.01 178.09 2omo h ALA 21 N 0.95 1.14 0.01 2.92 0.00 -0.84 -3.16 119.26 120.28 2omo h ALA 21 Ca 0.01 -0.31 -0.20 0.00 0.00 0.00 0.00 54.91 54.41 2omo h ALA 21 Cb 0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2omo h ALA 21 CO -0.00 0.54 -0.93 1.15 0.00 0.00 0.00 179.25 180.01 2omo h THR 22 N 0.49 1.59 0.00 0.00 2.02 -0.90 -3.27 112.91 112.85 2omo h THR 22 Ca 0.08 -2.96 0.00 0.00 0.77 0.00 0.00 66.41 64.30 2omo h THR 22 Cb 0.58 2.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.63 2omo h THR 22 CO 0.04 0.85 0.00 -1.14 0.37 0.00 0.00 175.52 175.64 2omo n ARG 23 N -3.53 0.00 0.00 6.66 0.63 -0.92 -0.77 116.66 118.74 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 0.86 -0.71 0.00 0.00 0.45 0.00 0.00 32.46 33.05 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 0.24 0.00 0.10 6.15 5.15 -1.24 -1.32 115.26 124.34 2omo n ASN 25 Ca 0.00 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.86 2omo n ASN 25 Cb 0.00 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.19 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 -0.41 -0.91 1.20 2.76 -1.30 -1.53 115.15 114.96 2omo h HIS 26 Ca 0.00 0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.27 2omo h HIS 26 Cb 0.00 0.17 -0.07 0.00 1.55 0.00 0.00 27.41 29.06 2omo h HIS 26 CO 0.00 -0.24 0.56 0.93 -1.30 0.00 0.00 177.93 177.88 2omo h GLU 27 N -0.32 0.93 0.11 5.26 5.08 -1.46 -2.14 114.58 122.05 2omo h GLU 27 Ca 0.02 -0.06 -0.30 0.00 -1.00 0.00 0.00 59.36 58.03 2omo h GLU 27 Cb 0.33 -0.21 0.03 0.00 0.50 0.00 0.00 28.75 29.40 2omo h GLU 27 CO -0.08 0.61 -1.24 1.96 -1.00 0.00 0.00 179.01 179.26 2omo h GLN 28 N 0.96 0.64 -0.32 2.33 1.08 -1.83 -3.37 115.11 114.60 2omo h GLN 28 Ca 0.43 -0.84 -0.06 0.00 -1.45 0.00 0.00 58.65 56.72 2omo h GLN 28 Cb 0.32 0.28 -0.02 0.00 -0.05 0.00 0.00 27.48 28.01 2omo h GLN 28 CO -0.22 1.38 -0.07 0.77 -0.95 0.00 0.00 178.83 179.74 2omo h SER 29 N 0.29 0.50 0.25 1.46 0.02 -0.87 -1.95 113.55 113.24 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 1.91 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 64.32 2omo h SER 29 CO 0.24 0.62 -0.01 -0.29 -1.14 0.00 0.00 176.83 176.25 2omo h ILE 30 N 0.49 0.06 -0.00 3.27 2.10 -1.55 -2.06 117.51 119.82 2omo h ILE 30 Ca 0.10 -0.14 0.00 0.00 1.08 0.00 0.00 64.86 65.89 2omo h ILE 30 Cb 0.43 1.13 0.00 0.00 -1.09 0.00 0.00 36.82 37.29 2omo h ILE 30 CO 0.02 0.01 -0.43 0.54 -1.08 0.00 0.00 178.15 177.20 2omo n ARG 31 N -3.16 0.09 -1.99 2.19 1.74 -0.74 -4.92 116.66 109.88 2omo n ARG 31 Ca -0.02 -0.05 -0.41 0.00 -0.77 0.00 0.00 57.85 56.60 2omo n ARG 31 Cb 0.13 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.06 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 -2.94 4.26 0.42 5.56 2.02 -0.78 -4.93 118.70 122.32 2omo s GLU 32 Ca 0.13 2.36 0.22 0.00 0.02 0.00 0.00 54.97 57.69 2omo s GLU 32 Cb 0.18 -3.04 0.91 0.00 0.10 0.00 0.00 34.13 32.28 2omo s GLU 32 CO 0.67 -0.34 1.84 -1.35 0.02 0.00 0.00 175.26 176.09 2omo h PRO 33 N 3.48 0.00 -0.20 0.39 0.11 -1.92 -2.09 132.00 131.78 2omo h PRO 33 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2omo h PRO 33 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2omo h PRO 33 CO 0.67 0.28 0.00 0.41 -0.21 0.00 0.00 178.00 179.15 2omo n GLY 34 N -0.04 0.84 3.87 -0.55 0.00 -1.26 -5.02 105.19 103.03 2omo n GLY 34 Ca -0.01 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.67 4.84 0.48 1.61 3.84 -0.79 -0.48 114.94 122.76 2omo s ASN 35 Ca 0.34 1.00 -0.22 0.00 0.21 0.00 0.00 52.86 54.20 2omo s ASN 35 Cb 0.20 -1.66 -0.07 0.00 -0.55 0.00 0.00 41.25 39.17 2omo s ASN 35 CO 0.30 -1.72 1.13 0.00 -2.79 0.00 0.00 177.10 174.02 2omo s ARG 37 N -5.42 3.71 -0.39 0.43 3.03 -0.89 -4.91 118.95 114.50 2omo s ARG 37 Ca 0.60 1.67 0.09 0.00 2.03 0.00 0.00 55.73 60.12 2omo s ARG 37 Cb -0.12 -2.30 0.27 0.00 -1.03 0.00 0.00 34.95 31.77 2omo s ARG 37 CO 0.51 -0.57 0.56 0.34 -1.13 0.00 0.00 175.30 175.01 2omo n PHE 38 N -0.68 -0.18 -2.89 5.89 7.35 -1.22 -0.20 117.46 125.53 2omo n PHE 38 Ca 0.08 -3.62 -0.41 0.00 -0.76 0.00 0.00 57.45 52.75 2omo n PHE 38 Cb 0.49 -0.37 -0.04 0.00 0.35 0.00 0.00 39.48 39.92 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 -1.44 7.15 -0.26 -2.13 1.01 -0.39 -4.87 116.67 115.75 2omo s ASP 39 Ca 0.36 1.39 -0.08 0.00 0.71 0.00 0.00 52.55 54.93 2omo s ASP 39 Cb 0.20 -2.48 -0.03 0.00 1.01 0.00 0.00 42.92 41.62 2omo s ASP 39 CO -0.10 -0.19 0.10 -0.63 0.21 0.00 0.00 175.17 174.56 2omo s ILE 40 N 0.93 4.55 0.09 0.77 -1.09 -1.26 -0.72 121.20 124.48 2omo s ILE 40 Ca 0.44 -0.11 0.08 0.00 -2.23 0.00 0.00 60.65 58.82 2omo s ILE 40 Cb -0.19 -3.15 -0.03 0.00 -1.58 0.00 0.00 42.46 37.50 2omo s ILE 40 CO 0.22 0.30 -0.20 -0.76 -1.23 0.00 0.00 174.94 173.28 2omo s LEU 41 N 1.65 2.29 -0.01 2.97 1.43 -0.14 -5.02 118.68 121.85 2omo s LEU 41 Ca 0.06 -0.66 0.02 0.00 -1.03 0.00 0.00 54.13 52.52 2omo s LEU 41 Cb -0.15 -0.83 -0.00 0.00 0.03 0.00 0.00 46.19 45.23 2omo s LEU 41 CO 0.05 0.04 -0.07 -1.58 0.23 0.00 0.00 176.35 175.03 2omo s GLN 42 N -1.83 0.60 0.24 1.70 0.74 -1.26 -1.29 119.66 118.57 2omo s GLN 42 Ca 0.05 -0.24 -0.31 0.00 0.05 0.00 0.00 55.36 54.90 2omo s GLN 42 Cb -0.10 -0.59 -0.12 0.00 1.10 0.00 0.00 33.01 33.30 2omo s GLN 42 CO 0.04 0.13 1.58 0.45 -0.55 0.00 0.00 175.29 176.94 2omo n SER 43 N 3.00 3.51 0.03 6.67 2.88 -0.59 -4.88 113.62 124.24 2omo n SER 43 Ca -0.14 1.12 0.07 0.00 -1.33 0.00 0.00 58.87 58.58 2omo n SER 43 Cb 0.57 -1.52 0.48 0.00 -0.75 0.00 0.00 64.21 62.99 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 5.30 1.84 -0.01 -1.46 0.00 -2.00 -3.21 119.26 119.71 2omo h ALA 44 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2omo h ALA 44 Cb 1.24 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2omo h ALA 44 CO 0.84 0.12 -0.04 -0.25 0.00 0.00 0.00 179.25 179.92 2omo n ASP 45 N -4.48 1.93 -3.56 0.00 8.00 -1.26 -4.90 116.55 112.27 2omo n ASP 45 Ca 0.04 -1.46 -0.10 0.00 0.71 0.00 0.00 54.79 53.97 2omo n ASP 45 Cb 0.14 0.07 -0.10 0.00 -0.02 0.00 0.00 41.12 41.21 2omo n ASP 45 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2omo s ASP 46 N -1.12 0.08 0.35 -2.24 -1.08 -1.21 -5.04 116.67 106.41 2omo s ASP 46 Ca 0.14 0.64 0.14 0.00 -0.52 0.00 0.00 52.55 52.95 2omo s ASP 46 Cb 0.10 1.12 0.64 0.00 -1.46 0.00 0.00 42.92 43.32 2omo s ASP 46 CO 0.18 -0.26 1.76 1.55 0.52 0.00 0.00 175.17 178.92 2omo h PRO 47 N 8.20 0.00 0.00 4.34 0.14 -1.91 -2.98 132.00 139.80 2omo h PRO 47 Ca -0.17 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.97 2omo h PRO 47 Cb 1.12 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.26 2omo h PRO 47 CO 0.17 0.44 0.00 0.25 0.14 0.00 0.00 178.00 179.00 2omo n THR 48 N -3.88 0.23 -3.99 1.56 -2.24 -1.26 -4.79 114.28 99.91 2omo n THR 48 Ca -0.01 0.06 -0.35 0.00 -2.27 0.00 0.00 64.05 61.47 2omo n THR 48 Cb 0.48 -0.63 -0.14 0.00 -2.10 0.00 0.00 70.33 67.94 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 -2.78 3.46 0.24 -0.78 0.52 -1.12 -1.03 118.95 117.47 2omo s ARG 49 Ca 0.18 -0.59 0.11 0.00 -0.52 0.00 0.00 55.73 54.92 2omo s ARG 49 Cb 0.17 -3.03 -0.05 0.00 0.52 0.00 0.00 34.95 32.56 2omo s ARG 49 CO 0.42 -0.12 -0.20 -0.06 0.02 0.00 0.00 175.30 175.36 2omo s PHE 50 N 1.31 2.34 -0.04 -0.53 0.08 -0.46 -1.54 117.98 119.13 2omo s PHE 50 Ca 0.04 -0.33 0.02 0.00 0.12 0.00 0.00 56.93 56.78 2omo s PHE 50 Cb -0.14 -1.07 0.01 0.00 -0.57 0.00 0.00 43.02 41.25 2omo s PHE 50 CO -0.01 0.63 -0.09 0.08 -0.10 0.00 0.00 175.22 175.73 2omo s VAL 51 N -2.18 0.85 -0.31 -0.44 1.01 -0.41 -1.61 120.40 117.31 2omo s VAL 51 Ca 0.27 -0.35 -0.09 0.00 0.00 0.00 0.00 61.98 61.81 2omo s VAL 51 Cb -0.06 -0.79 -0.00 0.00 0.00 0.00 0.00 36.38 35.53 2omo s VAL 51 CO 0.14 0.28 0.15 -0.76 0.00 0.00 0.00 175.10 174.90 2omo s LEU 52 N 0.52 4.10 -0.67 3.92 1.02 -0.19 -0.96 118.68 126.42 2omo s LEU 52 Ca -0.09 -0.56 -0.16 0.00 0.02 0.00 0.00 54.13 53.34 2omo s LEU 52 Cb -0.13 -1.99 0.15 0.00 0.02 0.00 0.00 46.19 44.24 2omo s LEU 52 CO 0.02 -0.20 0.68 -0.47 0.02 0.00 0.00 176.35 176.39 2omo s TYR 53 N 1.60 3.33 -0.43 0.29 5.04 0.11 -0.87 117.35 126.42 2omo s TYR 53 Ca 0.04 -1.43 -0.11 0.00 -2.44 0.00 0.00 57.07 53.14 2omo s TYR 53 Cb -0.17 -3.89 0.07 0.00 0.35 0.00 0.00 41.96 38.32 2omo s TYR 53 CO 0.06 -1.11 0.29 -1.21 -1.34 0.00 0.00 175.55 172.23 2omo s GLU 54 N 1.52 2.71 -0.08 4.97 2.02 -0.70 -1.26 118.70 127.87 2omo s GLU 54 Ca 0.12 -1.40 0.04 0.00 0.02 0.00 0.00 54.97 53.75 2omo s GLU 54 Cb -0.21 -3.86 -0.01 0.00 0.10 0.00 0.00 34.13 30.16 2omo s GLU 54 CO -0.01 -0.95 -0.22 0.00 0.02 0.00 0.00 175.26 174.11 2omo s ALA 55 N 1.49 2.28 0.11 5.21 0.00 0.72 -0.67 121.76 130.89 2omo s ALA 55 Ca 0.03 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.00 2omo s ALA 55 Cb -0.23 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.02 2omo s ALA 55 CO 0.04 0.35 -0.01 0.71 0.00 0.00 0.00 175.76 176.85 2omo s TYR 56 N 0.06 0.83 0.15 0.00 2.02 0.84 -2.10 117.35 119.15 2omo s TYR 56 Ca -0.09 -1.07 -0.11 0.00 -0.37 0.00 0.00 57.07 55.44 2omo s TYR 56 Cb -0.15 -0.50 -0.02 0.00 -0.40 0.00 0.00 41.96 40.89 2omo s TYR 56 CO 0.06 -0.33 1.51 0.87 -1.57 0.00 0.00 175.55 176.09 2omo h LYS 57 N 2.95 0.97 -4.86 -0.62 1.57 -1.06 0.29 116.57 115.82 2omo h LYS 57 Ca -0.35 -0.46 -0.34 0.00 -1.87 0.00 0.00 60.65 57.63 2omo h LYS 57 Cb 1.17 -0.01 -0.15 0.00 0.08 0.00 0.00 32.23 33.33 2omo h LYS 57 CO 0.63 1.13 -0.62 0.95 -0.57 0.00 0.00 179.45 180.98 2omo s THR 58 N -4.54 0.51 0.19 -0.16 -4.23 -1.26 -4.12 115.64 102.03 2omo s THR 58 Ca -0.11 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.27 2omo s THR 58 Cb 0.12 -2.61 0.14 0.00 1.34 0.00 0.00 72.50 71.49 2omo s THR 58 CO 0.88 -0.02 1.69 -0.09 -0.54 0.00 0.00 174.62 176.54 2omo h ARG 59 N 2.42 0.14 -0.78 3.99 2.43 -1.91 -2.65 114.38 118.02 2omo h ARG 59 Ca -0.38 -0.01 0.17 0.00 -0.81 0.00 0.00 59.98 58.95 2omo h ARG 59 Cb 1.25 -0.03 -0.14 0.00 -0.42 0.00 0.00 29.97 30.62 2omo h ARG 59 CO 0.60 0.09 -0.12 0.87 -1.51 0.00 0.00 179.97 179.90 2omo h LYS 60 N 0.14 0.03 -0.23 0.20 1.57 -1.99 0.30 116.57 116.59 2omo h LYS 60 Ca 0.27 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.02 2omo h LYS 60 Cb 0.40 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 2omo h LYS 60 CO -0.42 0.02 0.06 -0.44 -0.57 0.00 0.00 179.45 178.10 2omo h ASP 61 N 0.03 0.35 -0.58 0.86 3.32 -1.89 -1.72 116.42 116.79 2omo h ASP 61 Ca 0.39 -0.23 0.09 0.00 0.02 0.00 0.00 57.03 57.31 2omo h ASP 61 Cb 0.65 -0.09 -0.07 0.00 0.22 0.00 0.00 39.33 40.03 2omo h ASP 61 CO -0.76 0.49 0.20 0.00 -1.72 0.00 0.00 179.24 177.44 2omo h ALA 62 N 0.88 0.73 -0.88 3.45 0.00 -0.87 -1.67 119.26 120.90 2omo h ALA 62 Ca 0.07 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.12 2omo h ALA 62 Cb 0.27 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 2omo h ALA 62 CO 0.00 -0.21 0.56 0.00 0.00 0.00 0.00 179.25 179.59 2omo h ALA 63 N 1.40 1.20 0.00 0.00 0.00 -0.23 -2.32 119.26 119.32 2omo h ALA 63 Ca 0.29 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 2omo h ALA 63 Cb 0.36 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2omo h ALA 63 CO -0.30 0.34 -0.47 0.00 0.00 0.00 0.00 179.25 178.82 2omo h ALA 64 N 1.40 1.22 -0.91 0.00 0.00 -0.44 -2.50 119.26 118.03 2omo h ALA 64 Ca 0.37 -0.43 0.11 0.00 0.00 0.00 0.00 54.91 54.97 2omo h ALA 64 Cb 0.12 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.75 2omo h ALA 64 CO -0.16 0.59 0.54 1.25 0.00 0.00 0.00 179.25 181.47 2omo h HIS 65 N 0.00 0.98 0.00 0.00 6.17 -0.78 -0.63 115.15 120.89 2omo h HIS 65 Ca -0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 2omo h HIS 65 Cb 0.83 -0.30 0.00 0.00 2.52 0.00 0.00 27.41 30.46 2omo h HIS 65 CO 0.00 0.37 0.00 1.63 0.71 0.00 0.00 177.93 180.64 2omo n LYS 66 N -4.70 0.73 0.00 5.26 5.02 -0.94 -2.36 118.16 121.17 2omo n LYS 66 Ca 0.17 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.54 2omo n LYS 66 Cb 0.34 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.75 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 -1.00 1.12 -2.43 1.97 -0.58 -0.25 -4.78 120.64 114.69 2omo n GLU 67 Ca 0.18 -0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.58 2omo n GLU 67 Cb 0.08 -1.34 -0.03 0.00 -0.57 0.00 0.00 31.44 29.58 2omo n GLU 67 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2omo s THR 68 N -2.68 3.95 0.23 2.62 -4.23 -1.00 -4.95 115.64 109.58 2omo s THR 68 Ca 0.07 1.10 -0.07 0.00 -1.18 0.00 0.00 61.69 61.61 2omo s THR 68 Cb 0.13 -3.48 0.18 0.00 1.34 0.00 0.00 72.50 70.68 2omo s THR 68 CO 0.73 -0.37 1.80 0.00 -0.54 0.00 0.00 174.62 176.24 2omo h ALA 69 N 1.23 1.03 -0.51 3.99 0.00 -1.95 -2.50 119.26 120.56 2omo h ALA 69 Ca -0.48 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.34 2omo h ALA 69 Cb 1.21 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2omo h ALA 69 CO 0.59 0.05 -0.15 1.12 0.00 0.00 0.00 179.25 180.86 2omo h HIS 70 N 0.71 1.13 -0.21 0.00 2.07 -1.93 -0.37 115.15 116.56 2omo h HIS 70 Ca 0.35 -0.25 0.01 0.00 -2.85 0.00 0.00 60.37 57.64 2omo h HIS 70 Cb 0.30 -0.27 -0.02 0.00 2.57 0.00 0.00 27.41 29.99 2omo h HIS 70 CO -0.08 1.07 0.09 -0.92 -3.07 0.00 0.00 177.93 175.02 2omo h TYR 71 N 0.88 0.17 -0.62 6.12 3.20 -1.78 -0.79 116.97 124.16 2omo h TYR 71 Ca 0.13 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.92 2omo h TYR 71 Cb 0.72 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.92 2omo h TYR 71 CO 0.05 0.10 0.03 -0.07 -1.64 0.00 0.00 178.16 176.63 2omo h LEU 72 N 0.21 1.04 -0.19 2.82 3.38 -1.07 0.15 115.31 121.65 2omo h LEU 72 Ca 0.08 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 2omo h LEU 72 Cb 0.03 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 2omo h LEU 72 CO -0.06 1.07 0.05 0.74 0.09 0.00 0.00 178.44 180.32 2omo h THR 73 N 0.98 1.20 -0.01 0.22 2.02 -1.00 -1.65 112.91 114.68 2omo h THR 73 Ca 0.18 -0.64 0.02 0.00 0.77 0.00 0.00 66.41 66.74 2omo h THR 73 Cb 0.52 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 2omo h THR 73 CO 0.02 0.20 -0.08 -0.25 0.37 0.00 0.00 175.52 175.78 2omo h TRP 74 N 0.12 -0.21 -0.32 3.16 7.01 -0.85 -0.23 115.95 124.64 2omo h TRP 74 Ca 0.06 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.10 2omo h TRP 74 Cb 0.26 0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.38 2omo h TRP 74 CO 0.01 -0.13 0.12 -0.09 -2.79 0.00 0.00 178.44 175.56 2omo h ARG 75 N -0.14 0.26 -0.46 2.65 2.43 -0.60 -0.52 114.38 118.00 2omo h ARG 75 Ca 0.04 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.11 2omo h ARG 75 Cb 0.19 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 2omo h ARG 75 CO -0.09 0.17 -0.04 -0.44 -1.51 0.00 0.00 179.97 178.06 2omo h ASP 76 N 0.27 0.76 -0.25 -3.80 3.32 -1.19 -2.11 116.42 113.42 2omo h ASP 76 Ca 0.14 -0.20 -0.11 0.00 0.02 0.00 0.00 57.03 56.88 2omo h ASP 76 Cb 0.10 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 2omo h ASP 76 CO -0.13 0.86 -0.27 0.74 -1.72 0.00 0.00 179.24 178.71 2omo h THR 77 N 0.73 1.31 0.00 0.35 2.02 0.06 -3.32 112.91 114.06 2omo h THR 77 Ca 0.14 -1.45 0.00 0.00 0.77 0.00 0.00 66.41 65.87 2omo h THR 77 Cb 0.50 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.58 2omo h THR 77 CO 0.03 0.46 -0.47 1.33 0.37 0.00 0.00 175.52 177.24 2omo n VAL 78 N -4.31 0.00 -0.25 3.16 0.24 -0.31 -4.47 118.33 112.39 2omo n VAL 78 Ca -0.04 -0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.28 2omo n VAL 78 Cb 0.46 0.19 0.12 0.00 -1.47 0.00 0.00 33.84 33.15 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 2.99 0.65 0.00 2.33 0.00 -1.48 0.26 119.26 124.02 2omo h ALA 79 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2omo h ALA 79 Cb 0.50 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2omo h ALA 79 CO 0.00 -0.42 0.00 -0.25 0.00 0.00 0.00 179.25 178.58 2omo n ASP 80 N -5.39 0.00 -3.87 0.00 8.00 -1.26 -4.94 116.55 109.08 2omo n ASP 80 Ca 0.12 -0.24 -0.42 0.00 0.71 0.00 0.00 54.79 54.95 2omo n ASP 80 Cb 0.43 -0.21 0.01 0.00 -0.02 0.00 0.00 41.12 41.32 2omo n ASP 80 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 2omo n TRP 81 N -1.21 2.50 0.00 1.24 8.01 0.90 -4.99 117.44 123.88 2omo n TRP 81 Ca 0.13 -2.64 0.00 0.00 -1.31 0.00 0.00 57.50 53.68 2omo n TRP 81 Cb 0.16 -1.47 0.00 0.00 -2.01 0.00 0.00 31.31 27.99 2omo n TRP 81 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2omo n ALA 83 N 1.81 1.30 -3.80 6.99 0.00 -0.01 -1.22 120.51 125.60 2omo n ALA 83 Ca 0.35 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.73 2omo n ALA 83 Cb 0.32 0.06 -0.02 0.00 0.00 0.00 0.00 19.45 19.82 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 -1.30 1.59 0.22 0.00 -1.05 -1.26 -5.04 118.70 111.87 2omo s GLU 84 Ca 0.00 -0.86 -0.32 0.00 -0.15 0.00 0.00 54.97 53.64 2omo s GLU 84 Cb 0.00 0.55 -0.14 0.00 -0.44 0.00 0.00 34.13 34.11 2omo s GLU 84 CO 0.00 -0.73 1.40 -2.30 0.95 0.00 0.00 175.26 174.58 2omo n PRO 85 N -0.45 1.95 -1.55 -4.83 -0.02 -1.26 -4.70 135.00 124.13 2omo n PRO 85 Ca -0.05 0.70 -0.40 0.00 -2.02 0.00 0.00 63.50 61.72 2omo n PRO 85 Cb 0.60 -2.35 0.03 0.00 -0.02 0.00 0.00 33.50 31.76 2omo n PRO 85 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2omo n ARG 86 N 2.14 0.92 -3.92 -0.52 1.74 -1.26 -4.95 116.66 110.81 2omo n ARG 86 Ca 0.12 0.34 -0.36 0.00 -0.77 0.00 0.00 57.85 57.19 2omo n ARG 86 Cb 0.30 -1.90 -0.08 0.00 -1.02 0.00 0.00 32.46 29.76 2omo n ARG 86 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2omo s LYS 87 N -2.13 3.69 -0.01 5.56 2.20 -0.49 -4.95 119.74 123.62 2omo s LYS 87 Ca 0.67 -0.23 0.05 0.00 -0.36 0.00 0.00 55.97 56.11 2omo s LYS 87 Cb -0.51 -3.21 -0.03 0.00 -1.51 0.00 0.00 37.83 32.58 2omo s LYS 87 CO 0.54 0.55 -0.17 0.20 -0.36 0.00 0.00 175.35 176.11 2omo s GLY 88 N -0.37 1.53 -0.08 5.54 0.00 -1.26 -0.40 107.32 112.28 2omo s GLY 88 Ca 0.11 -1.08 -0.00 0.00 0.00 0.00 0.00 44.72 43.74 2omo s GLY 88 CO 0.01 -0.92 -0.05 0.14 0.00 0.00 0.00 173.10 172.29 2omo s VAL 89 N -0.81 0.68 -0.10 1.40 1.01 -0.32 -4.96 120.40 117.30 2omo s VAL 89 Ca 0.13 -0.12 -0.11 0.00 0.00 0.00 0.00 61.98 61.88 2omo s VAL 89 Cb -0.11 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 2omo s VAL 89 CO 0.03 0.29 0.26 -0.63 0.00 0.00 0.00 175.10 175.05 2omo s ILE 90 N 1.48 5.30 0.18 2.22 1.01 -1.26 -0.96 121.20 129.17 2omo s ILE 90 Ca -0.01 0.49 0.06 0.00 0.00 0.00 0.00 60.65 61.19 2omo s ILE 90 Cb -0.13 -3.56 -0.05 0.00 0.01 0.00 0.00 42.46 38.73 2omo s ILE 90 CO -0.04 0.54 -0.12 -0.31 0.00 0.00 0.00 174.94 175.01 2omo s TYR 91 N -0.57 1.54 -0.05 3.97 2.02 0.26 -4.99 117.35 119.53 2omo s TYR 91 Ca 0.18 -0.65 -0.02 0.00 -0.37 0.00 0.00 57.07 56.21 2omo s TYR 91 Cb -0.14 -0.74 -0.04 0.00 -0.40 0.00 0.00 41.96 40.65 2omo s TYR 91 CO 0.06 0.25 0.04 0.20 -1.57 0.00 0.00 175.55 174.54 2omo s GLY 92 N -3.26 1.94 -0.02 0.71 0.00 -1.26 -1.10 107.32 104.33 2omo s GLY 92 Ca 0.20 -0.83 -0.30 0.00 0.00 0.00 0.00 44.72 43.80 2omo s GLY 92 CO 0.05 -0.64 1.21 -0.32 0.00 0.00 0.00 173.10 173.39 2omo s GLY 93 N -1.27 2.18 -0.06 0.20 0.00 -1.26 -4.90 107.32 102.21 2omo s GLY 93 Ca 0.17 0.69 -0.16 0.00 0.00 0.00 0.00 44.72 45.42 2omo s GLY 93 CO 0.07 2.18 0.72 1.41 0.00 0.00 0.00 173.10 177.48 2omo h LEU 94 N 7.85 0.53 0.00 0.66 3.38 -2.06 -3.49 115.31 122.18 2omo h LEU 94 Ca -0.36 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 56.70 2omo h LEU 94 Cb 1.18 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2omo h LEU 94 CO 0.86 1.63 0.00 -1.22 0.09 0.00 0.00 178.44 179.81