#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jts s GLU 2 N 0.00 0.45 0.17 0.00 2.12 -1.26 -2.13 118.70 118.04 2jts s GLU 2 Ca 0.00 -0.16 -0.01 0.00 0.36 0.00 0.00 54.97 55.16 2jts s GLU 2 Cb 0.00 0.19 -0.04 0.00 0.26 0.00 0.00 34.13 34.54 2jts s GLU 2 CO 0.00 -0.10 0.11 -1.58 -0.54 0.00 0.00 175.26 173.15 2jts s HIS 3 N -0.93 1.02 -0.01 5.30 2.46 -0.18 -4.95 115.29 118.00 2jts s HIS 3 Ca -0.10 -1.30 0.02 0.00 0.47 0.00 0.00 55.06 54.14 2jts s HIS 3 Cb -0.05 -0.51 0.00 0.00 -0.13 0.00 0.00 32.58 31.89 2jts s HIS 3 CO 0.02 -0.60 -0.07 -1.58 -2.47 0.00 0.00 174.74 170.04 2jts s TRP 4 N -4.11 0.67 -0.03 3.88 0.51 -1.26 -1.54 118.94 117.05 2jts s TRP 4 Ca 0.33 -0.14 0.02 0.00 -2.12 0.00 0.00 56.10 54.18 2jts s TRP 4 Cb 0.07 -0.47 0.01 0.00 -0.81 0.00 0.00 33.47 32.28 2jts s TRP 4 CO 0.08 -0.05 -0.07 0.42 -0.51 0.00 0.00 176.95 176.82 2jts s ILE 5 N 0.05 0.66 -0.10 2.03 -1.09 -0.36 -3.75 121.20 118.64 2jts s ILE 5 Ca -0.00 -0.25 -0.14 0.00 -2.23 0.00 0.00 60.65 58.03 2jts s ILE 5 Cb -0.05 -0.63 -0.05 0.00 -1.58 0.00 0.00 42.46 40.15 2jts s ILE 5 CO -0.00 0.23 0.33 -0.62 -1.23 0.00 0.00 174.94 173.65 2jts s ASP 6 N 0.50 6.57 -0.18 3.58 2.15 -0.35 -2.79 116.67 126.15 2jts s ASP 6 Ca -0.07 0.67 0.16 0.00 0.43 0.00 0.00 52.55 53.74 2jts s ASP 6 Cb -0.11 -2.20 0.45 0.00 -0.30 0.00 0.00 42.92 40.75 2jts s ASP 6 CO 0.01 0.19 1.18 1.33 -0.17 0.00 0.00 175.17 177.71 2jts n VAL 7 N 2.88 1.50 -4.61 1.11 0.24 -1.04 -0.34 118.33 118.07 2jts n VAL 7 Ca -0.13 -2.76 -0.28 0.00 -2.04 0.00 0.00 64.34 59.13 2jts n VAL 7 Cb 0.52 0.17 -0.07 0.00 -1.47 0.00 0.00 33.84 33.00 2jts n VAL 7 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2jts n ARG 8 N -0.50 0.71 -1.33 7.34 0.63 -1.26 -1.25 116.66 121.00 2jts n ARG 8 Ca 0.19 -3.45 -0.31 0.00 -0.92 0.00 0.00 57.85 53.36 2jts n ARG 8 Cb 0.89 1.37 0.09 0.00 0.45 0.00 0.00 32.46 35.27 2jts n ARG 8 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 2jts s VAL 9 N -2.89 3.35 0.22 5.15 -7.23 -1.26 -4.37 120.40 113.37 2jts s VAL 9 Ca 0.10 0.44 0.22 0.00 -1.81 0.00 0.00 61.98 60.93 2jts s VAL 9 Cb 0.00 -2.99 0.22 0.00 0.56 0.00 0.00 36.38 34.18 2jts s VAL 9 CO 0.07 -0.57 1.65 -0.65 -0.31 0.00 0.00 175.10 175.28 2jts h PRO 10 N -1.11 0.00 -0.99 4.82 0.11 -2.01 -3.15 132.00 129.67 2jts h PRO 10 Ca -0.45 0.00 0.21 0.00 0.11 0.00 0.00 66.00 65.88 2jts h PRO 10 Cb 1.24 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.25 2jts h PRO 10 CO 0.53 0.00 0.62 1.49 -0.21 0.00 0.00 178.00 180.43 2jts h GLU 11 N 0.00 0.57 0.11 1.05 4.81 -2.00 0.62 114.58 119.74 2jts h GLU 11 Ca 0.00 -0.03 -0.19 0.00 -0.13 0.00 0.00 59.36 59.00 2jts h GLU 11 Cb 0.44 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.71 2jts h GLU 11 CO 0.00 0.38 -0.92 -0.56 -0.73 0.00 0.00 179.01 177.17 2jts h GLN 12 N 0.59 0.24 -0.81 1.92 3.07 -1.87 -3.39 115.11 114.86 2jts h GLN 12 Ca 0.56 -0.40 0.08 0.00 0.09 0.00 0.00 58.65 58.97 2jts h GLN 12 Cb 1.11 0.15 -0.05 0.00 0.08 0.00 0.00 27.48 28.77 2jts h GLN 12 CO -0.31 1.19 0.53 -0.92 0.09 0.00 0.00 178.83 179.41 2jts h TYR 13 N -0.45 0.85 0.00 0.06 3.20 -1.19 0.39 116.97 119.83 2jts h TYR 13 Ca -0.18 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.71 2jts h TYR 13 Cb 1.59 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 39.59 2jts h TYR 13 CO 0.18 0.42 0.00 1.04 -1.64 0.00 0.00 178.16 178.16 2jts n GLN 14 N -4.50 0.18 0.00 1.82 1.13 0.04 -0.88 117.38 115.17 2jts n GLN 14 Ca 0.13 0.16 0.00 0.00 -1.94 0.00 0.00 57.00 55.35 2jts n GLN 14 Cb 0.28 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.13 2jts n GLN 14 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2jts n GLN 15 N -1.27 1.02 -3.63 -1.09 10.64 -0.10 -4.52 117.38 118.42 2jts n GLN 15 Ca 0.06 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 55.10 2jts n GLN 15 Cb 0.09 -0.71 -0.07 0.00 -0.86 0.00 0.00 30.24 28.70 2jts n GLN 15 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.06 173.40 2jts s GLU 16 N -1.41 0.75 0.01 2.61 -1.05 -0.06 -4.44 118.70 115.09 2jts s GLU 16 Ca 0.00 0.89 -0.04 0.00 -0.15 0.00 0.00 54.97 55.67 2jts s GLU 16 Cb 0.00 0.36 -0.01 0.00 -0.44 0.00 0.00 34.13 34.05 2jts s GLU 16 CO 0.00 -0.09 0.07 -3.38 0.95 0.00 0.00 175.26 172.81 2jts s HIS 17 N 0.34 0.11 0.24 4.83 -3.43 -0.15 -3.74 115.29 113.49 2jts s HIS 17 Ca 0.01 -0.25 -0.31 0.00 -0.80 0.00 0.00 55.06 53.71 2jts s HIS 17 Cb -0.05 -0.09 -0.12 0.00 -1.43 0.00 0.00 32.58 30.89 2jts s HIS 17 CO -0.01 -0.22 1.66 0.08 -2.00 0.00 0.00 174.74 174.25 2jts s VAL 18 N -1.25 2.08 0.31 -5.38 1.01 -1.26 -1.32 120.40 114.59 2jts s VAL 18 Ca -0.14 0.06 0.02 0.00 0.00 0.00 0.00 61.98 61.92 2jts s VAL 18 Cb -0.08 -3.04 0.15 0.00 0.00 0.00 0.00 36.38 33.41 2jts s VAL 18 CO 0.00 0.01 1.84 -0.61 0.00 0.00 0.00 175.10 176.34 2jts h GLN 19 N 5.96 0.64 -0.00 2.72 -0.00 -1.31 -1.84 115.11 121.27 2jts h GLN 19 Ca -0.45 -0.14 0.00 0.00 -0.00 0.00 0.00 58.65 58.06 2jts h GLN 19 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 27.48 28.60 2jts h GLN 19 CO 0.88 0.64 -0.03 0.41 0.00 0.00 0.00 178.83 180.74 2jts n GLY 20 N -0.81 -1.11 3.80 2.39 0.00 -1.26 -4.89 105.19 103.30 2jts n GLY 20 Ca 0.02 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 2jts n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jts s ALA 21 N -2.42 2.06 -0.03 4.61 0.00 -0.70 -4.61 121.76 120.68 2jts s ALA 21 Ca 0.33 -0.33 0.01 0.00 0.00 0.00 0.00 51.96 51.96 2jts s ALA 21 Cb 0.21 -3.08 0.02 0.00 0.00 0.00 0.00 23.12 20.27 2jts s ALA 21 CO 0.44 -1.95 -0.03 0.96 0.00 0.00 0.00 175.76 175.19 2jts s ILE 22 N -3.21 0.40 -0.34 0.00 -4.36 -1.25 -4.93 121.20 107.51 2jts s ILE 22 Ca 0.62 -0.07 -0.27 0.00 -0.26 0.00 0.00 60.65 60.67 2jts s ILE 22 Cb -0.15 -0.43 0.01 0.00 1.25 0.00 0.00 42.46 43.15 2jts s ILE 22 CO 0.54 0.18 0.96 0.21 0.24 0.00 0.00 174.94 177.07 2jts s ASN 23 N 0.79 6.77 -0.46 4.36 3.84 -1.26 -1.22 114.94 127.76 2jts s ASN 23 Ca -0.09 0.76 0.04 0.00 0.21 0.00 0.00 52.86 53.77 2jts s ASN 23 Cb -0.13 -2.49 0.17 0.00 -0.55 0.00 0.00 41.25 38.26 2jts s ASN 23 CO -0.00 -0.84 0.35 -0.63 -2.79 0.00 0.00 177.10 173.19 2jts s ILE 24 N 3.48 0.80 0.68 -5.21 1.01 0.54 -4.98 121.20 117.53 2jts s ILE 24 Ca 0.40 -2.86 -0.17 0.00 0.00 0.00 0.00 60.65 58.02 2jts s ILE 24 Cb -0.12 -1.55 -0.06 0.00 0.01 0.00 0.00 42.46 40.74 2jts s ILE 24 CO 0.17 -1.17 0.49 -2.65 0.00 0.00 0.00 174.94 171.78 2jts n PRO 25 N 2.80 0.34 -0.31 2.79 -0.02 -1.26 -4.21 135.00 135.14 2jts n PRO 25 Ca 0.26 0.15 0.14 0.00 -2.02 0.00 0.00 63.50 62.04 2jts n PRO 25 Cb 0.44 -1.76 0.31 0.00 -0.02 0.00 0.00 33.50 32.47 2jts n PRO 25 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2jts h LEU 26 N -0.22 -0.07 -1.10 2.45 7.12 -1.48 0.11 115.31 122.13 2jts h LEU 26 Ca -0.45 0.22 0.00 0.00 0.13 0.00 0.00 57.88 57.77 2jts h LEU 26 Cb 1.36 0.31 0.00 0.00 -0.53 0.00 0.00 40.66 41.80 2jts h LEU 26 CO 0.43 -0.21 0.00 0.11 -0.13 0.00 0.00 178.44 178.64 2jts h LYS 27 N 0.16 0.00 0.00 1.25 1.57 -1.89 -3.25 116.57 114.41 2jts h LYS 27 Ca 0.58 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.36 2jts h LYS 27 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2jts h LYS 27 CO -0.71 0.00 -0.80 0.39 -0.57 0.00 0.00 179.45 177.76 2jts n GLU 28 N -2.40 1.25 -0.21 3.15 1.02 0.24 -4.68 120.64 119.00 2jts n GLU 28 Ca 0.01 0.00 0.24 0.00 -0.02 0.00 0.00 57.16 57.39 2jts n GLU 28 Cb 0.19 -0.89 0.62 0.00 -0.02 0.00 0.00 31.44 31.34 2jts n GLU 28 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 2jts h VAL 29 N 0.00 0.61 0.00 2.62 3.04 -1.18 -0.81 116.25 120.53 2jts h VAL 29 Ca 0.00 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.63 2jts h VAL 29 Cb 0.00 0.40 0.00 0.00 -2.01 0.00 0.00 31.29 29.68 2jts h VAL 29 CO 0.00 0.03 0.00 1.17 -1.01 0.00 0.00 177.57 177.76 2jts n LYS 30 N -4.39 0.03 0.00 4.17 4.81 -1.26 -2.56 118.16 118.95 2jts n LYS 30 Ca 0.19 0.33 0.00 0.00 -0.87 0.00 0.00 58.31 57.96 2jts n LYS 30 Cb 0.84 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.39 2jts n LYS 30 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2jts n GLU 31 N -1.43 0.00 0.28 1.64 1.02 -0.49 -4.86 120.64 116.80 2jts n GLU 31 Ca 0.02 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.32 2jts n GLU 31 Cb 0.07 -0.35 0.85 0.00 -0.02 0.00 0.00 31.44 31.99 2jts n GLU 31 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jts h ARG 32 N 0.00 0.00 -0.33 3.49 3.08 -1.25 -2.04 114.38 117.33 2jts h ARG 32 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.08 2jts h ARG 32 Cb 0.59 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 2jts h ARG 32 CO 0.00 0.06 0.22 0.97 -1.07 0.00 0.00 179.97 180.15 2jts h ILE 33 N 0.00 1.02 -0.72 2.04 6.09 -1.72 -2.38 117.51 121.84 2jts h ILE 33 Ca -0.00 -0.12 -0.06 0.00 -1.37 0.00 0.00 64.86 63.32 2jts h ILE 33 Cb 0.23 0.65 -0.03 0.00 0.47 0.00 0.00 36.82 38.14 2jts h ILE 33 CO 0.01 0.06 0.23 0.00 -3.07 0.00 0.00 178.15 175.38 2jts h ALA 34 N 1.81 0.94 -0.12 0.18 0.00 -1.61 0.15 119.26 120.62 2jts h ALA 34 Ca 0.13 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.64 2jts h ALA 34 Cb 0.11 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2jts h ALA 34 CO -0.03 0.62 -0.67 1.79 0.00 0.00 0.00 179.25 180.96 2jts h THR 35 N 1.06 1.35 -0.16 0.00 1.35 -1.69 -3.11 112.91 111.72 2jts h THR 35 Ca 0.23 -2.00 -0.10 0.00 -0.55 0.00 0.00 66.41 63.99 2jts h THR 35 Cb 0.29 1.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 2jts h THR 35 CO -0.01 0.61 -0.30 0.00 -0.25 0.00 0.00 175.52 175.57 2jts h ALA 36 N 0.91 0.25 -2.20 6.62 0.00 -0.84 -3.41 119.26 120.58 2jts h ALA 36 Ca -0.02 -0.41 -0.49 0.00 0.00 0.00 0.00 54.91 53.98 2jts h ALA 36 Cb 1.24 -0.04 -0.35 0.00 0.00 0.00 0.00 17.79 18.64 2jts h ALA 36 CO 0.12 0.27 -0.83 0.08 0.00 0.00 0.00 179.25 178.89 2jts s VAL 37 N -4.03 -0.01 0.28 0.00 1.01 0.47 -5.01 120.40 113.11 2jts s VAL 37 Ca -0.13 -1.83 0.12 0.00 0.00 0.00 0.00 61.98 60.13 2jts s VAL 37 Cb 0.06 -0.95 0.01 0.00 0.00 0.00 0.00 36.38 35.49 2jts s VAL 37 CO 0.79 -0.90 1.66 1.55 0.00 0.00 0.00 175.10 178.20 2jts h PRO 38 N 6.30 0.00 -6.26 2.72 0.13 -1.73 -3.38 132.00 129.77 2jts h PRO 38 Ca 0.14 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.71 2jts h PRO 38 Cb 0.98 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.02 2jts h PRO 38 CO 0.26 0.56 1.21 0.34 -0.23 0.00 0.00 178.00 180.14 2jts s ASP 39 N -6.81 6.24 0.00 1.44 2.15 -1.26 -4.87 116.67 113.55 2jts s ASP 39 Ca -0.01 -0.76 0.13 0.00 0.43 0.00 0.00 52.55 52.34 2jts s ASP 39 Cb 0.13 -2.56 0.63 0.00 -0.30 0.00 0.00 42.92 40.81 2jts s ASP 39 CO 0.75 -1.75 1.37 0.29 -0.17 0.00 0.00 175.17 175.66 2jts n LYS 40 N 9.21 0.12 0.00 4.34 5.02 -1.26 -1.48 118.16 134.11 2jts n LYS 40 Ca 0.14 0.20 0.12 0.00 -2.02 0.00 0.00 58.31 56.74 2jts n LYS 40 Cb 0.50 -1.50 0.12 0.00 -0.02 0.00 0.00 35.03 34.13 2jts n LYS 40 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2jts n ASN 41 N -1.36 1.44 -4.76 4.39 4.05 -1.26 -1.74 115.26 116.02 2jts n ASN 41 Ca 0.05 -1.14 -0.35 0.00 0.45 0.00 0.00 54.58 53.60 2jts n ASN 41 Cb 0.12 0.43 0.03 0.00 1.23 0.00 0.00 39.78 41.59 2jts n ASN 41 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 2jts s ASP 42 N -2.61 5.20 0.07 1.20 2.15 -0.55 -4.46 116.67 117.68 2jts s ASP 42 Ca 0.18 2.23 -0.31 0.00 0.43 0.00 0.00 52.55 55.09 2jts s ASP 42 Cb 0.18 -2.58 -0.06 0.00 -0.30 0.00 0.00 42.92 40.16 2jts s ASP 42 CO 0.61 -1.58 1.27 -0.89 -0.17 0.00 0.00 175.17 174.41 2jts s THR 43 N -1.86 3.79 -0.36 1.71 2.01 -0.91 -4.43 115.64 115.59 2jts s THR 43 Ca 0.73 1.28 0.00 0.00 0.31 0.00 0.00 61.69 64.01 2jts s THR 43 Cb -0.26 -3.82 0.12 0.00 0.01 0.00 0.00 72.50 68.55 2jts s THR 43 CO 0.35 0.09 0.16 -0.69 -0.69 0.00 0.00 174.62 173.84 2jts s VAL 44 N 1.14 1.02 0.12 3.82 1.01 -0.72 -1.01 120.40 125.79 2jts s VAL 44 Ca 0.61 -1.87 -0.30 0.00 0.00 0.00 0.00 61.98 60.42 2jts s VAL 44 Cb -0.32 -1.75 -0.06 0.00 0.00 0.00 0.00 36.38 34.25 2jts s VAL 44 CO 0.29 -0.78 1.06 -0.54 0.00 0.00 0.00 175.10 175.13 2jts s LYS 45 N 1.09 4.60 0.03 2.72 1.02 -0.59 -1.54 119.74 127.07 2jts s LYS 45 Ca 0.13 1.61 0.07 0.00 0.02 0.00 0.00 55.97 57.80 2jts s LYS 45 Cb -0.20 -3.34 -0.02 0.00 -0.52 0.00 0.00 37.83 33.74 2jts s LYS 45 CO -0.13 0.05 -0.22 0.14 -0.92 0.00 0.00 175.35 174.27 2jts s VAL 46 N 0.19 1.73 0.11 3.17 -7.23 -0.32 -1.23 120.40 116.82 2jts s VAL 46 Ca 0.50 -1.15 -0.14 0.00 -1.81 0.00 0.00 61.98 59.39 2jts s VAL 46 Cb -0.26 -1.48 0.02 0.00 0.56 0.00 0.00 36.38 35.22 2jts s VAL 46 CO 0.32 0.29 0.33 -0.72 -0.31 0.00 0.00 175.10 175.01 2jts s TYR 47 N -0.73 -0.09 0.26 2.82 -0.85 -1.12 -1.55 117.35 116.09 2jts s TYR 47 Ca 0.08 -0.24 -0.17 0.00 -0.52 0.00 0.00 57.07 56.23 2jts s TYR 47 Cb -0.09 0.15 0.01 0.00 0.38 0.00 0.00 41.96 42.41 2jts s TYR 47 CO 0.01 -0.64 0.58 0.00 -1.52 0.00 0.00 175.55 173.99 2jts h ASN 49 N 2.14 0.00 0.00 0.00 -1.24 -1.93 0.16 115.58 114.72 2jts h ASN 49 Ca -0.23 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.78 2jts h ASN 49 Cb 1.25 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.30 2jts h ASN 49 CO 0.30 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 176.44 2jts n ALA 50 N -2.38 2.05 0.00 1.57 0.00 -1.26 -4.29 120.51 116.20 2jts n ALA 50 Ca 0.15 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2jts n ALA 50 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.45 2jts n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jts n GLY 51 N 0.08 0.94 0.18 0.00 0.00 -1.05 -4.70 105.19 100.65 2jts n GLY 51 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 2jts n GLY 51 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2jts h ARG 52 N 0.00 0.53 -0.06 1.61 9.65 -1.91 -0.81 114.38 123.38 2jts h ARG 52 Ca 0.00 -0.03 -0.12 0.00 -1.10 0.00 0.00 59.98 58.73 2jts h ARG 52 Cb 0.00 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.45 2jts h ARG 52 CO 0.00 0.35 -0.51 1.96 2.80 0.00 0.00 179.97 184.57 2jts h GLN 53 N 0.54 0.17 -0.20 0.20 4.20 -1.94 0.54 115.11 118.62 2jts h GLN 53 Ca 0.16 -0.10 -0.09 0.00 0.06 0.00 0.00 58.65 58.68 2jts h GLN 53 Cb -0.03 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 2jts h GLN 53 CO -0.05 0.64 -0.27 0.66 -0.67 0.00 0.00 178.83 179.14 2jts h SER 54 N 0.13 0.39 -0.47 1.46 4.64 -1.76 0.01 113.55 117.96 2jts h SER 54 Ca 0.00 -0.13 0.05 0.00 -0.47 0.00 0.00 61.79 61.25 2jts h SER 54 Cb 0.95 -0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 62.88 2jts h SER 54 CO 0.08 0.65 0.19 1.23 -0.87 0.00 0.00 176.83 178.11 2jts h GLY 55 N 1.03 0.63 0.98 -0.77 0.00 0.28 0.45 103.07 105.67 2jts h GLY 55 Ca 0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 2jts h GLY 55 CO 0.05 0.04 0.26 1.46 0.00 0.00 0.00 176.54 178.35 2jts h GLN 56 N 0.38 0.80 -0.98 4.80 4.20 -0.34 -0.15 115.11 123.82 2jts h GLN 56 Ca 0.22 -0.12 0.04 0.00 0.06 0.00 0.00 58.65 58.85 2jts h GLN 56 Cb 0.19 -0.14 -0.06 0.00 0.30 0.00 0.00 27.48 27.77 2jts h GLN 56 CO -0.20 0.66 0.64 0.00 -0.67 0.00 0.00 178.83 179.26 2jts h ALA 57 N 1.10 1.37 -0.51 3.87 0.00 -0.65 -0.02 119.26 124.42 2jts h ALA 57 Ca 0.19 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 2jts h ALA 57 Cb 0.13 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2jts h ALA 57 CO -0.02 0.52 -0.10 -0.22 0.00 0.00 0.00 179.25 179.43 2jts h LYS 58 N 1.22 0.94 -0.44 0.00 3.64 0.07 0.12 116.57 122.13 2jts h LYS 58 Ca 0.39 -0.33 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2jts h LYS 58 Cb 0.02 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 2jts h LYS 58 CO -0.12 0.99 0.22 0.93 -2.27 0.00 0.00 179.45 179.19 2jts h GLU 59 N 0.84 0.62 -0.06 1.90 5.08 -0.40 -0.17 114.58 122.39 2jts h GLU 59 Ca 0.14 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 2jts h GLU 59 Cb 0.63 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 2jts h GLU 59 CO 0.04 0.52 -0.04 0.82 -1.00 0.00 0.00 179.01 179.35 2jts h ILE 60 N 0.56 0.86 -0.09 3.13 2.04 -0.62 -1.45 117.51 121.95 2jts h ILE 60 Ca 0.15 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.93 2jts h ILE 60 Cb 0.09 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 2jts h ILE 60 CO -0.02 0.00 -0.31 -0.07 0.00 0.00 0.00 178.15 177.74 2jts h LEU 61 N -0.05 0.16 -0.68 1.44 3.38 -0.79 -0.78 115.31 117.98 2jts h LEU 61 Ca 0.04 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2jts h LEU 61 Cb 0.11 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2jts h LEU 61 CO -0.09 0.48 0.18 0.28 0.09 0.00 0.00 178.44 179.38 2jts h SER 62 N 0.15 1.02 -0.44 -0.43 0.02 -0.68 -0.42 113.55 112.76 2jts h SER 62 Ca 0.02 -0.23 -0.06 0.00 -0.84 0.00 0.00 61.79 60.68 2jts h SER 62 Cb 0.63 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 2jts h SER 62 CO 0.05 0.98 0.07 -0.08 -1.14 0.00 0.00 176.83 176.71 2jts h GLU 63 N 1.02 0.81 0.00 3.45 4.81 -0.42 -1.27 114.58 122.97 2jts h GLU 63 Ca 0.22 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2jts h GLU 63 Cb 0.35 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.62 2jts h GLU 63 CO -0.00 0.76 0.00 -1.33 -0.73 0.00 0.00 179.01 177.71 2jts n MET 64 N -4.25 0.28 -0.91 1.92 2.81 -0.38 -4.89 117.12 111.69 2jts n MET 64 Ca 0.03 0.11 0.00 0.00 -1.81 0.00 0.00 57.70 56.03 2jts n MET 64 Cb 0.26 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.27 2jts n MET 64 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jts n GLY 65 N 0.16 0.55 3.77 3.03 0.00 -0.48 -5.05 105.19 107.16 2jts n GLY 65 Ca 0.09 -0.83 -0.37 0.00 0.00 0.00 0.00 46.02 44.90 2jts n GLY 65 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jts s TYR 66 N -2.00 2.85 0.00 1.61 1.51 -0.24 -4.88 117.35 116.19 2jts s TYR 66 Ca 0.00 1.52 0.00 0.00 -1.01 0.00 0.00 57.07 57.58 2jts s TYR 66 Cb 0.00 -3.43 0.00 0.00 -0.11 0.00 0.00 41.96 38.42 2jts s TYR 66 CO 0.00 -1.62 0.33 0.25 -1.11 0.00 0.00 175.55 173.40 2jts n THR 67 N -0.45 0.00 -2.52 -0.71 -2.24 -0.71 -4.51 114.28 103.14 2jts n THR 67 Ca 0.07 -0.37 0.03 0.00 -2.27 0.00 0.00 64.05 61.50 2jts n THR 67 Cb 0.47 1.22 0.02 0.00 -2.10 0.00 0.00 70.33 69.95 2jts n THR 67 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2jts n HIS 68 N -0.09 0.16 -2.65 4.78 -0.00 -1.26 -5.00 115.22 111.18 2jts n HIS 68 Ca 0.00 -0.76 -0.36 0.00 -0.00 0.00 0.00 57.72 56.61 2jts n HIS 68 Cb 0.06 -0.11 -0.05 0.00 -0.00 0.00 0.00 29.99 29.89 2jts n HIS 68 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 2jts s VAL 69 N -0.56 3.96 -0.16 3.57 -7.23 -1.26 -1.75 120.40 116.97 2jts s VAL 69 Ca 0.31 1.43 -0.18 0.00 -1.81 0.00 0.00 61.98 61.72 2jts s VAL 69 Cb 0.36 -3.70 0.05 0.00 0.56 0.00 0.00 36.38 33.65 2jts s VAL 69 CO -0.14 -0.06 0.50 -0.70 -0.31 0.00 0.00 175.10 174.39 2jts s GLU 70 N -2.64 0.64 -0.45 4.82 2.56 -0.59 -4.91 118.70 118.13 2jts s GLU 70 Ca 0.58 0.58 -0.26 0.00 0.00 0.00 0.00 54.97 55.87 2jts s GLU 70 Cb -0.18 0.31 0.03 0.00 2.00 0.00 0.00 34.13 36.28 2jts s GLU 70 CO 0.23 -0.10 0.96 1.21 -0.56 0.00 0.00 175.26 177.00 2jts s ASN 71 N -0.02 6.55 0.41 -1.70 3.04 -1.26 -1.17 114.94 120.79 2jts s ASN 71 Ca -0.02 0.24 0.12 0.00 0.04 0.00 0.00 52.86 53.24 2jts s ASN 71 Cb -0.03 -2.47 0.85 0.00 -1.54 0.00 0.00 41.25 38.06 2jts s ASN 71 CO 0.02 -1.06 1.93 0.00 -3.04 0.00 0.00 177.10 174.95 2jts h ALA 72 N 9.03 1.56 0.00 1.71 0.00 -1.65 -3.47 119.26 126.44 2jts h ALA 72 Ca -0.24 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2jts h ALA 72 Cb 1.07 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2jts h ALA 72 CO 1.04 0.32 0.00 0.41 0.00 0.00 0.00 179.25 181.02 2jts n GLY 73 N -0.87 0.18 3.90 0.00 0.00 -1.26 -4.89 105.19 102.25 2jts n GLY 73 Ca -0.02 -1.55 -0.28 0.00 0.00 0.00 0.00 46.02 44.17 2jts n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jts s GLY 74 N 0.00 1.58 0.45 -0.02 0.00 -1.26 -3.99 107.32 104.08 2jts s GLY 74 Ca 0.00 -0.40 0.16 0.00 0.00 0.00 0.00 44.72 44.48 2jts s GLY 74 CO 0.00 -0.22 1.97 -2.00 0.00 0.00 0.00 173.10 172.85 2jts h LEU 75 N 0.29 0.30 -1.23 0.66 5.85 -0.87 0.11 115.31 120.42 2jts h LEU 75 Ca -0.47 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.19 2jts h LEU 75 Cb 1.20 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 2jts h LEU 75 CO 0.62 0.17 -0.37 0.11 -0.34 0.00 0.00 178.44 178.63 2jts h LYS 76 N 0.33 0.00 0.21 1.25 1.57 -1.85 -3.20 116.57 114.88 2jts h LYS 76 Ca 0.29 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.73 2jts h LYS 76 Cb 0.68 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.01 2jts h LYS 76 CO -0.07 0.37 -1.59 0.22 -0.57 0.00 0.00 179.45 177.80 2jts h ASP 77 N 0.00 0.71 -3.23 0.86 3.58 -1.18 -3.45 116.42 113.71 2jts h ASP 77 Ca -0.00 -0.88 -0.53 0.00 0.42 0.00 0.00 57.03 56.04 2jts h ASP 77 Cb 0.71 -0.23 0.07 0.00 1.72 0.00 0.00 39.33 41.60 2jts h ASP 77 CO 0.05 1.71 0.86 -0.63 -2.88 0.00 0.00 179.24 178.36 2jts s ILE 78 N -2.59 2.28 -0.14 2.25 1.09 -0.93 -4.91 121.20 118.24 2jts s ILE 78 Ca -0.12 0.22 0.15 0.00 -1.10 0.00 0.00 60.65 59.80 2jts s ILE 78 Cb 0.05 -3.14 0.35 0.00 -1.06 0.00 0.00 42.46 38.65 2jts s ILE 78 CO 0.90 0.03 1.17 0.00 -0.10 0.00 0.00 174.94 176.95 2jts n ALA 79 N 2.56 2.93 -1.12 9.38 0.00 -1.26 -4.93 120.51 128.07 2jts n ALA 79 Ca 0.09 -2.77 -0.31 0.00 0.00 0.00 0.00 53.44 50.45 2jts n ALA 79 Cb 0.38 -0.43 0.11 0.00 0.00 0.00 0.00 19.45 19.51 2jts n ALA 79 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2jts s MET 80 N -2.34 1.93 0.40 0.00 -1.94 -1.26 -4.99 119.30 111.10 2jts s MET 80 Ca 0.32 1.31 -0.25 0.00 -1.71 0.00 0.00 55.69 55.36 2jts s MET 80 Cb 0.32 -1.85 -0.11 0.00 2.01 0.00 0.00 34.83 35.19 2jts s MET 80 CO -0.05 -1.91 1.00 -2.30 -0.01 0.00 0.00 175.02 171.75 2jts n PRO 81 N -3.64 1.35 -4.20 2.03 -0.02 -1.26 -4.87 135.00 124.39 2jts n PRO 81 Ca 0.10 0.48 -0.15 0.00 -2.02 0.00 0.00 63.50 61.91 2jts n PRO 81 Cb 0.53 -2.01 -0.11 0.00 -0.02 0.00 0.00 33.50 31.89 2jts n PRO 81 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2jts s LYS 82 N -1.93 0.91 0.07 -0.52 1.02 -1.26 -0.83 119.74 117.20 2jts s LYS 82 Ca 0.62 -1.21 -0.04 0.00 0.02 0.00 0.00 55.97 55.36 2jts s LYS 82 Cb -0.58 -0.62 -0.02 0.00 -0.52 0.00 0.00 37.83 36.09 2jts s LYS 82 CO 0.57 0.10 0.07 0.14 -0.92 0.00 0.00 175.35 175.31 2jts s VAL 83 N -2.49 0.18 0.50 3.17 -7.23 -0.43 -4.85 120.40 109.25 2jts s VAL 83 Ca 0.07 -1.55 -0.20 0.00 -1.81 0.00 0.00 61.98 58.49 2jts s VAL 83 Cb -0.03 -1.49 -0.08 0.00 0.56 0.00 0.00 36.38 35.35 2jts s VAL 83 CO 0.01 -0.81 1.07 -0.54 -0.31 0.00 0.00 175.10 174.51 2jts s LYS 84 N -3.90 3.67 0.00 4.82 1.02 -1.26 -0.98 119.74 123.10 2jts s LYS 84 Ca 0.07 1.44 0.26 0.00 0.02 0.00 0.00 55.97 57.76 2jts s LYS 84 Cb 0.07 -2.07 0.56 0.00 -0.52 0.00 0.00 37.83 35.87 2jts s LYS 84 CO -0.09 -0.56 1.47 0.41 -0.92 0.00 0.00 175.35 175.66