#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 0.62 0.08 0.00 8.01 -1.26 -1.19 118.70 124.95 2jts s GLU 2 Ca 0.00 -1.18 -0.01 0.00 0.01 0.00 0.00 54.97 53.79 2jts s GLU 2 Cb 0.00 0.12 -0.04 0.00 -4.31 0.00 0.00 34.13 29.90 2jts s GLU 2 CO 0.00 -0.09 0.01 -1.01 0.01 0.00 0.00 175.26 174.18 2jts s HIS 3 N -3.60 0.61 0.03 1.61 3.76 -0.48 -4.88 115.29 112.34 2jts s HIS 3 Ca 0.05 -1.10 0.08 0.00 -0.15 0.00 0.00 55.06 53.95 2jts s HIS 3 Cb 0.06 -0.40 -0.03 0.00 1.11 0.00 0.00 32.58 33.32 2jts s HIS 3 CO -0.08 -0.43 -0.25 -1.58 -0.85 0.00 0.00 174.74 171.55 2jts s TRP 4 N -3.96 2.38 -0.02 1.40 0.51 -1.26 -1.05 118.94 116.94 2jts s TRP 4 Ca 0.12 -0.38 0.00 0.00 -2.12 0.00 0.00 56.10 53.72 2jts s TRP 4 Cb 0.08 -1.44 0.02 0.00 -0.81 0.00 0.00 33.47 31.32 2jts s TRP 4 CO -0.06 0.11 0.01 0.42 -0.51 0.00 0.00 176.95 176.92 2jts s ILE 5 N -0.78 0.10 -0.17 2.03 -1.09 -0.47 -3.87 121.20 116.95 2jts s ILE 5 Ca 0.12 0.10 -0.21 0.00 -2.23 0.00 0.00 60.65 58.42 2jts s ILE 5 Cb -0.10 -0.19 -0.03 0.00 -1.58 0.00 0.00 42.46 40.57 2jts s ILE 5 CO 0.02 0.11 0.65 -0.62 -1.23 0.00 0.00 174.94 173.87 2jts s ASP 6 N 0.85 6.76 -0.07 3.58 2.15 -0.48 -1.88 116.67 127.59 2jts s ASP 6 Ca -0.08 0.93 0.11 0.00 0.43 0.00 0.00 52.55 53.94 2jts s ASP 6 Cb -0.11 -2.36 0.31 0.00 -0.30 0.00 0.00 42.92 40.45 2jts s ASP 6 CO -0.02 -0.24 1.24 1.33 -0.17 0.00 0.00 175.17 177.31 2jts n VAL 7 N 4.46 1.50 -2.11 1.11 0.24 -0.64 -0.36 118.33 122.54 2jts n VAL 7 Ca -0.01 -1.44 0.00 0.00 -2.04 0.00 0.00 64.34 60.85 2jts n VAL 7 Cb 0.50 0.18 0.00 0.00 -1.47 0.00 0.00 33.84 33.05 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 -0.27 0.73 -1.64 7.34 0.63 -1.26 -0.46 116.66 121.73 2jts n ARG 8 Ca 0.13 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.69 2jts n ARG 8 Cb 0.56 0.00 0.07 0.00 0.45 0.00 0.00 32.46 33.53 2jts n ARG 8 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 2jts n VAL 9 N -1.29 4.30 0.31 5.15 0.24 -1.26 -4.15 118.33 121.63 2jts n VAL 9 Ca 0.00 -0.48 0.20 0.00 -2.04 0.00 0.00 64.34 62.01 2jts n VAL 9 Cb 0.00 -1.33 0.97 0.00 -1.47 0.00 0.00 33.84 32.02 2jts n VAL 9 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2jts h PRO 10 N 0.38 0.00 0.00 7.34 0.13 -1.97 -2.49 132.00 135.39 2jts h PRO 10 Ca -0.50 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 2jts h PRO 10 Cb 1.35 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.48 2jts h PRO 10 CO 0.51 0.00 -0.05 1.49 -0.23 0.00 0.00 178.00 179.72 2jts h GLU 11 N 0.00 0.00 -0.41 0.86 4.57 -2.01 -0.51 114.58 117.09 2jts h GLU 11 Ca 0.00 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.06 2jts h GLU 11 Cb 0.17 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 2jts h GLU 11 CO 0.00 0.05 -0.23 -0.56 -1.18 0.00 0.00 179.01 177.09 2jts h GLN 12 N 0.00 0.88 -0.75 1.92 -0.00 -1.81 -3.14 115.11 112.21 2jts h GLN 12 Ca -0.00 -0.40 0.01 0.00 -0.00 0.00 0.00 58.65 58.26 2jts h GLN 12 Cb 0.14 -0.02 -0.04 0.00 -0.00 0.00 0.00 27.48 27.57 2jts h GLN 12 CO 0.01 1.04 0.49 -0.92 -0.00 0.00 0.00 178.83 179.45 2jts h TYR 13 N 0.69 0.93 -0.71 0.06 5.03 -1.26 -1.06 116.97 120.65 2jts h TYR 13 Ca 0.09 0.02 0.06 0.00 2.58 0.00 0.00 58.73 61.48 2jts h TYR 13 Cb 0.80 -0.31 -0.06 0.00 1.55 0.00 0.00 36.73 38.71 2jts h TYR 13 CO 0.06 0.58 0.41 1.96 -1.32 0.00 0.00 178.16 179.85 2jts h GLN 14 N 1.00 0.74 0.57 1.82 7.50 -1.36 -2.75 115.11 122.62 2jts h GLN 14 Ca 0.28 -0.04 -0.03 0.00 0.50 0.00 0.00 58.65 59.35 2jts h GLN 14 Cb -0.10 -0.17 0.01 0.00 0.05 0.00 0.00 27.48 27.27 2jts h GLN 14 CO -0.06 0.49 -0.27 1.96 -1.50 0.00 0.00 178.83 179.44 2jts h GLN 15 N 0.76 -0.74 -1.73 1.46 1.08 -1.21 -1.96 115.11 112.77 2jts h GLN 15 Ca 0.31 0.05 0.06 0.00 -1.45 0.00 0.00 58.65 57.62 2jts h GLN 15 Cb 0.17 0.17 -0.21 0.00 -0.05 0.00 0.00 27.48 27.55 2jts h GLN 15 CO -0.17 -0.43 0.48 -1.83 -0.95 0.00 0.00 178.83 175.92 2jts s GLU 16 N -4.63 0.71 0.04 1.46 -1.05 -1.07 -4.30 118.70 109.85 2jts s GLU 16 Ca -0.14 0.11 0.01 0.00 -0.15 0.00 0.00 54.97 54.80 2jts s GLU 16 Cb 0.02 0.33 -0.03 0.00 -0.44 0.00 0.00 34.13 34.01 2jts s GLU 16 CO 0.46 -0.23 -0.05 -3.38 0.95 0.00 0.00 175.26 173.01 2jts s HIS 17 N -1.38 0.50 0.07 4.83 -3.43 -0.01 -4.29 115.29 111.58 2jts s HIS 17 Ca -0.03 -0.70 -0.34 0.00 -0.80 0.00 0.00 55.06 53.19 2jts s HIS 17 Cb -0.00 -0.33 -0.13 0.00 -1.43 0.00 0.00 32.58 30.68 2jts s HIS 17 CO 0.02 -0.20 1.65 0.28 -2.00 0.00 0.00 174.74 174.49 2jts n VAL 18 N 1.01 0.18 -2.05 -5.38 0.31 -1.26 -1.11 118.33 110.02 2jts n VAL 18 Ca -0.20 -0.03 -0.35 0.00 -0.01 0.00 0.00 64.34 63.75 2jts n VAL 18 Cb 0.57 -1.58 -0.04 0.00 -0.91 0.00 0.00 33.84 31.89 2jts n VAL 18 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 2jts s GLN 19 N 1.85 2.62 0.00 5.55 -0.44 0.00 -1.51 119.66 127.73 2jts s GLN 19 Ca 0.84 0.29 0.00 0.00 -2.50 0.00 0.00 55.36 53.99 2jts s GLN 19 Cb -0.71 -4.61 0.00 0.00 -1.64 0.00 0.00 33.01 26.05 2jts s GLN 19 CO 0.43 -2.93 0.00 0.41 0.50 0.00 0.00 175.29 173.70 2jts n GLY 20 N 6.08 1.26 3.87 2.59 0.00 -1.26 -4.87 105.19 112.86 2jts n GLY 20 Ca 0.27 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.55 2.91 0.03 4.61 0.00 -0.57 -4.60 121.76 123.60 2jts s ALA 21 Ca 0.00 -0.23 0.02 0.00 0.00 0.00 0.00 51.96 51.75 2jts s ALA 21 Cb 0.00 -3.06 -0.02 0.00 0.00 0.00 0.00 23.12 20.04 2jts s ALA 21 CO 0.00 -1.03 -0.07 0.96 0.00 0.00 0.00 175.76 175.61 2jts s ILE 22 N -3.27 0.54 -0.32 0.00 -4.36 -1.25 -4.91 121.20 107.63 2jts s ILE 22 Ca 0.57 -0.85 -0.28 0.00 -0.26 0.00 0.00 60.65 59.83 2jts s ILE 22 Cb -0.11 -0.56 0.02 0.00 1.25 0.00 0.00 42.46 43.05 2jts s ILE 22 CO 0.53 -0.23 1.04 0.21 0.24 0.00 0.00 174.94 176.73 2jts s ASN 23 N -1.18 6.90 -0.44 4.36 3.84 -1.26 -1.38 114.94 125.78 2jts s ASN 23 Ca -0.06 1.00 0.04 0.00 0.21 0.00 0.00 52.86 54.05 2jts s ASN 23 Cb -0.08 -2.53 0.17 0.00 -0.55 0.00 0.00 41.25 38.26 2jts s ASN 23 CO 0.00 -0.84 0.34 -0.63 -2.79 0.00 0.00 177.10 173.18 2jts s ILE 24 N 3.56 0.69 0.62 -5.21 -1.09 0.52 -4.97 121.20 115.31 2jts s ILE 24 Ca 0.44 -2.76 -0.18 0.00 -2.23 0.00 0.00 60.65 55.92 2jts s ILE 24 Cb -0.12 -1.48 -0.05 0.00 -1.58 0.00 0.00 42.46 39.22 2jts s ILE 24 CO 0.15 -1.17 0.82 -2.65 -1.23 0.00 0.00 174.94 170.86 2jts n PRO 25 N 2.88 0.71 -0.32 2.79 -0.02 -1.26 -4.17 135.00 135.61 2jts n PRO 25 Ca 0.26 0.28 0.16 0.00 -2.02 0.00 0.00 63.50 62.18 2jts n PRO 25 Cb 0.45 -2.03 0.36 0.00 -0.02 0.00 0.00 33.50 32.25 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 0.27 0.45 -1.47 2.45 7.12 -1.02 0.73 115.31 123.83 2jts h LEU 26 Ca -0.48 0.16 0.00 0.00 0.13 0.00 0.00 57.88 57.69 2jts h LEU 26 Cb 1.37 0.11 0.00 0.00 -0.53 0.00 0.00 40.66 41.61 2jts h LEU 26 CO 0.49 0.00 0.00 0.11 -0.13 0.00 0.00 178.44 178.91 2jts h LYS 27 N 0.43 0.00 0.00 1.25 1.57 -1.90 -3.18 116.57 114.74 2jts h LYS 27 Ca 0.61 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.39 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 -0.53 0.00 -0.18 0.39 -0.57 0.00 0.00 179.45 178.56 2jts n GLU 28 N -2.41 3.39 -0.24 3.15 1.02 0.09 -4.83 120.64 120.81 2jts n GLU 28 Ca -0.01 0.00 0.19 0.00 -0.02 0.00 0.00 57.16 57.32 2jts n GLU 28 Cb 0.10 -0.43 0.50 0.00 -0.02 0.00 0.00 31.44 31.60 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 0.69 -0.64 2.62 3.04 -1.11 -0.64 116.25 120.21 2jts h VAL 29 Ca 0.00 -0.14 0.09 0.00 -1.01 0.00 0.00 66.70 65.64 2jts h VAL 29 Cb 0.00 0.23 -0.04 0.00 -2.01 0.00 0.00 31.29 29.47 2jts h VAL 29 CO 0.00 0.08 0.43 0.50 -1.01 0.00 0.00 177.57 177.56 2jts h LYS 30 N 0.42 0.50 0.00 4.17 3.64 -1.88 -1.53 116.57 121.89 2jts h LYS 30 Ca 0.47 -0.03 -0.39 0.00 -1.27 0.00 0.00 60.65 59.42 2jts h LYS 30 Cb 1.14 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.79 2jts h LYS 30 CO -0.18 0.33 -2.35 0.39 -2.27 0.00 0.00 179.45 175.37 2jts n GLU 31 N -4.48 0.53 0.28 1.90 1.02 -0.56 -4.59 120.64 114.75 2jts n GLU 31 Ca 0.10 0.20 0.16 0.00 -0.02 0.00 0.00 57.16 57.61 2jts n GLU 31 Cb 0.33 -1.40 0.82 0.00 -0.02 0.00 0.00 31.44 31.18 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 -0.62 0.00 -0.45 3.49 3.08 -1.13 -2.23 114.38 116.52 2jts h ARG 32 Ca -0.59 0.00 0.07 0.00 0.07 0.00 0.00 59.98 59.52 2jts h ARG 32 Cb 1.62 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.64 2jts h ARG 32 CO -0.29 0.06 0.30 0.97 -1.07 0.00 0.00 179.97 179.94 2jts h ILE 33 N 0.00 0.95 0.00 2.04 6.09 -1.51 -0.85 117.51 124.22 2jts h ILE 33 Ca -0.00 -0.12 0.00 0.00 -1.37 0.00 0.00 64.86 63.37 2jts h ILE 33 Cb 0.33 0.58 0.00 0.00 0.47 0.00 0.00 36.82 38.20 2jts h ILE 33 CO 0.01 0.06 0.00 0.00 -3.07 0.00 0.00 178.15 175.15 2jts h ALA 34 N 1.76 1.00 0.00 0.18 0.00 -1.66 0.08 119.26 120.61 2jts h ALA 34 Ca 0.20 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 2jts h ALA 34 Cb 0.36 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2jts h ALA 34 CO -0.05 0.00 -1.58 0.25 0.00 0.00 0.00 179.25 177.88 2jts n THR 35 N -2.88 0.52 -0.07 0.00 -2.24 -0.78 -3.93 114.28 104.90 2jts n THR 35 Ca -0.02 -0.35 -0.14 0.00 -2.27 0.00 0.00 64.05 61.27 2jts n THR 35 Cb 0.10 -0.63 -0.06 0.00 -2.10 0.00 0.00 70.33 67.64 2jts n THR 35 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jts h ALA 36 N 0.49 0.32 -2.11 6.98 0.00 -0.67 -3.39 119.26 120.88 2jts h ALA 36 Ca -0.21 -0.40 -0.54 0.00 0.00 0.00 0.00 54.91 53.76 2jts h ALA 36 Cb 1.40 -0.06 -0.36 0.00 0.00 0.00 0.00 17.79 18.76 2jts h ALA 36 CO 0.01 0.33 -0.97 0.28 0.00 0.00 0.00 179.25 178.91 2jts n VAL 37 N -4.34 -0.97 -0.21 0.00 0.31 -0.03 -5.03 118.33 108.06 2jts n VAL 37 Ca -0.05 -3.35 0.11 0.00 -0.01 0.00 0.00 64.34 61.03 2jts n VAL 37 Cb 0.47 -1.46 0.40 0.00 -0.91 0.00 0.00 33.84 32.34 2jts n VAL 37 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 2jts h PRO 38 N 5.12 0.62 -6.23 5.55 0.11 -1.68 -3.36 132.00 132.11 2jts h PRO 38 Ca 0.19 -0.04 -0.53 0.00 0.11 0.00 0.00 66.00 65.73 2jts h PRO 38 Cb 0.92 -0.14 -0.07 0.00 0.11 0.00 0.00 31.00 31.82 2jts h PRO 38 CO 0.37 0.41 1.16 0.34 -0.21 0.00 0.00 178.00 180.06 2jts s ASP 39 N -5.99 5.98 0.00 -2.05 2.15 -1.26 -4.88 116.67 110.62 2jts s ASP 39 Ca -0.09 -0.40 0.11 0.00 0.43 0.00 0.00 52.55 52.60 2jts s ASP 39 Cb 0.21 -2.55 0.52 0.00 -0.30 0.00 0.00 42.92 40.80 2jts s ASP 39 CO 0.78 -1.95 1.26 2.29 -0.17 0.00 0.00 175.17 177.38 2jts n LYS 40 N 9.27 0.12 0.07 4.34 2.85 -1.26 -1.77 118.16 131.79 2jts n LYS 40 Ca 0.11 0.21 0.12 0.00 -1.05 0.00 0.00 58.31 57.71 2jts n LYS 40 Cb 0.50 -1.50 0.26 0.00 -0.65 0.00 0.00 35.03 33.63 2jts n LYS 40 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2jts n ASN 41 N -1.33 0.73 -4.76 -5.58 2.85 -1.26 -1.64 115.26 104.27 2jts n ASN 41 Ca 0.05 0.28 -0.36 0.00 -0.11 0.00 0.00 54.58 54.43 2jts n ASN 41 Cb 0.09 -0.18 0.02 0.00 1.24 0.00 0.00 39.78 40.96 2jts n ASN 41 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2jts s ASP 42 N -4.30 5.37 -0.82 1.20 -1.08 -0.73 -4.45 116.67 111.87 2jts s ASP 42 Ca 0.08 2.36 -0.26 0.00 -0.52 0.00 0.00 52.55 54.21 2jts s ASP 42 Cb 0.13 -2.60 0.02 0.00 -1.46 0.00 0.00 42.92 39.02 2jts s ASP 42 CO 0.68 -1.47 1.45 -0.89 0.52 0.00 0.00 175.17 175.46 2jts s THR 43 N -1.61 3.71 -0.92 1.71 2.01 -0.34 -4.34 115.64 115.87 2jts s THR 43 Ca 0.75 -0.01 -0.24 0.00 0.31 0.00 0.00 61.69 62.51 2jts s THR 43 Cb -0.29 -4.77 0.05 0.00 0.01 0.00 0.00 72.50 67.49 2jts s THR 43 CO 0.33 -1.70 1.38 -0.69 -0.69 0.00 0.00 174.62 173.24 2jts s VAL 44 N 6.25 3.90 0.06 3.82 1.01 -0.48 -1.38 120.40 133.59 2jts s VAL 44 Ca 0.45 -0.42 -0.31 0.00 0.00 0.00 0.00 61.98 61.70 2jts s VAL 44 Cb -0.06 -5.00 -0.06 0.00 0.00 0.00 0.00 36.38 31.26 2jts s VAL 44 CO 0.07 -1.89 1.23 -0.54 0.00 0.00 0.00 175.10 173.98 2jts s LYS 45 N 5.11 4.41 0.01 2.72 1.02 -0.21 -2.31 119.74 130.48 2jts s LYS 45 Ca 0.42 1.82 0.06 0.00 0.02 0.00 0.00 55.97 58.28 2jts s LYS 45 Cb -0.03 -3.34 -0.03 0.00 -0.52 0.00 0.00 37.83 33.91 2jts s LYS 45 CO -0.02 -0.30 -0.16 0.14 -0.92 0.00 0.00 175.35 174.09 2jts s VAL 46 N 1.13 2.93 0.18 3.17 -7.23 -0.08 -1.37 120.40 119.13 2jts s VAL 46 Ca 0.60 -1.00 -0.03 0.00 -1.81 0.00 0.00 61.98 59.73 2jts s VAL 46 Cb -0.30 -2.20 -0.03 0.00 0.56 0.00 0.00 36.38 34.40 2jts s VAL 46 CO 0.29 0.43 0.16 -0.72 -0.31 0.00 0.00 175.10 174.95 2jts s TYR 47 N -0.86 0.90 0.36 2.82 1.13 -0.78 -1.18 117.35 119.73 2jts s TYR 47 Ca 0.14 -1.20 -0.08 0.00 -1.41 0.00 0.00 57.07 54.52 2jts s TYR 47 Cb -0.11 -0.40 0.02 0.00 -1.10 0.00 0.00 41.96 40.38 2jts s TYR 47 CO 0.04 -0.65 0.61 0.00 -2.51 0.00 0.00 175.55 173.03 2jts h ASN 49 N 2.06 0.00 0.00 0.00 -1.24 -1.97 -0.34 115.58 114.09 2jts h ASN 49 Ca -0.30 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.71 2jts h ASN 49 Cb 1.24 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.29 2jts h ASN 49 CO 0.39 0.01 0.00 0.00 -1.29 0.00 0.00 177.43 176.54 2jts n ALA 50 N -2.33 1.25 0.00 1.57 0.00 -1.26 -4.43 120.51 115.31 2jts n ALA 50 Ca -0.03 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2jts n ALA 50 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.12 2.35 0.14 0.00 0.00 -1.23 -4.80 105.19 101.53 2jts n GLY 51 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 0.03 -0.25 -0.17 1.61 2.43 -1.92 -0.98 114.38 115.13 2jts h ARG 52 Ca 0.00 0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.07 2jts h ARG 52 Cb 0.00 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 2jts h ARG 52 CO 0.00 -0.15 -0.39 1.96 -1.51 0.00 0.00 179.97 179.88 2jts h GLN 53 N -0.29 0.38 -0.24 0.20 1.08 -1.93 0.03 115.11 114.35 2jts h GLN 53 Ca -0.03 -0.18 -0.11 0.00 -1.45 0.00 0.00 58.65 56.88 2jts h GLN 53 Cb 0.22 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 2jts h GLN 53 CO 0.04 0.71 -0.32 0.66 -0.95 0.00 0.00 178.83 178.98 2jts h SER 54 N 0.31 0.51 -0.16 1.46 4.64 -1.80 0.28 113.55 118.79 2jts h SER 54 Ca 0.03 -0.20 0.04 0.00 -0.47 0.00 0.00 61.79 61.20 2jts h SER 54 Cb 0.83 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 62.74 2jts h SER 54 CO 0.07 0.80 -0.10 1.23 -0.87 0.00 0.00 176.83 177.96 2jts h GLY 55 N 1.06 0.04 0.93 -0.77 0.00 -0.10 -0.29 103.07 103.93 2jts h GLY 55 Ca 0.05 0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.49 2jts h GLY 55 CO 0.06 -0.12 0.13 1.46 0.00 0.00 0.00 176.54 178.08 2jts h GLN 56 N -0.10 0.45 -0.53 4.80 4.20 -0.79 -2.56 115.11 120.59 2jts h GLN 56 Ca 0.10 -0.08 0.04 0.00 0.06 0.00 0.00 58.65 58.77 2jts h GLN 56 Cb 0.24 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.91 2jts h GLN 56 CO -0.22 0.45 0.35 0.00 -0.67 0.00 0.00 178.83 178.74 2jts h ALA 57 N 0.98 1.79 -0.76 3.87 0.00 -0.72 -1.71 119.26 122.71 2jts h ALA 57 Ca 0.10 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.00 2jts h ALA 57 Cb 0.16 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2jts h ALA 57 CO -0.01 0.14 0.50 -0.22 0.00 0.00 0.00 179.25 179.66 2jts h LYS 58 N 0.55 1.00 -0.32 0.00 3.11 -0.62 0.37 116.57 120.67 2jts h LYS 58 Ca 0.22 -0.06 -0.09 0.00 -2.81 0.00 0.00 60.65 57.90 2jts h LYS 58 Cb 0.17 -0.22 -0.01 0.00 -1.00 0.00 0.00 32.23 31.17 2jts h LYS 58 CO -0.06 0.66 -0.17 0.93 -2.81 0.00 0.00 179.45 178.00 2jts h GLU 59 N 1.03 0.67 -0.23 1.90 5.08 -1.27 -1.40 114.58 120.36 2jts h GLU 59 Ca 0.28 -0.30 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2jts h GLU 59 Cb -0.12 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 2jts h GLU 59 CO -0.06 0.90 0.02 0.82 -1.00 0.00 0.00 179.01 179.69 2jts h ILE 60 N 0.44 0.87 -0.03 3.13 2.04 -1.00 -1.00 117.51 121.94 2jts h ILE 60 Ca 0.07 -0.03 -0.09 0.00 1.00 0.00 0.00 64.86 65.80 2jts h ILE 60 Cb 0.70 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 2jts h ILE 60 CO 0.05 0.02 -0.40 -0.07 0.00 0.00 0.00 178.15 177.74 2jts h LEU 61 N 0.10 0.07 -0.54 1.44 3.38 -0.86 -0.76 115.31 118.12 2jts h LEU 61 Ca 0.10 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.90 2jts h LEU 61 Cb 0.12 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2jts h LEU 61 CO -0.16 0.47 -0.41 0.28 0.09 0.00 0.00 178.44 178.70 2jts h SER 62 N 0.06 0.76 -0.34 -0.43 0.02 -0.82 -1.86 113.55 110.94 2jts h SER 62 Ca 0.00 -0.35 -0.08 0.00 -0.84 0.00 0.00 61.79 60.52 2jts h SER 62 Cb 0.74 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 2jts h SER 62 CO 0.06 1.08 -0.06 -0.08 -1.14 0.00 0.00 176.83 176.68 2jts h GLU 63 N 0.58 0.74 0.00 3.45 4.81 -0.55 -0.92 114.58 122.69 2jts h GLU 63 Ca 0.04 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 2jts h GLU 63 Cb 0.96 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.26 2jts h GLU 63 CO 0.09 0.79 0.00 -1.33 -0.73 0.00 0.00 179.01 177.83 2jts n MET 64 N -4.19 0.29 -1.13 1.92 2.81 -0.35 -4.89 117.12 111.58 2jts n MET 64 Ca 0.02 0.10 -0.04 0.00 -1.81 0.00 0.00 57.70 55.96 2jts n MET 64 Cb 0.33 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.32 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 -0.06 0.71 3.68 3.03 0.00 -0.35 -4.99 105.19 107.21 2jts n GLY 65 Ca 0.08 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.15 2.21 0.38 1.61 1.51 -0.75 -4.89 117.35 115.26 2jts s TYR 66 Ca 0.00 0.20 0.13 0.00 -1.01 0.00 0.00 57.07 56.39 2jts s TYR 66 Cb 0.00 -3.99 0.77 0.00 -0.11 0.00 0.00 41.96 38.62 2jts s TYR 66 CO 0.00 -4.08 1.85 1.15 -1.11 0.00 0.00 175.55 173.36 2jts h THR 67 N 5.04 1.23 -3.13 -0.71 2.02 -1.61 -3.42 112.91 112.34 2jts h THR 67 Ca -0.43 -1.19 -0.45 0.00 0.77 0.00 0.00 66.41 65.10 2jts h THR 67 Cb 1.20 1.65 -0.40 0.00 -1.74 0.00 0.00 68.15 68.85 2jts h THR 67 CO 0.94 0.34 -0.75 -1.00 0.37 0.00 0.00 175.52 175.41 2jts s HIS 68 N -4.23 0.31 -0.01 3.16 3.76 -1.26 -5.08 115.29 111.95 2jts s HIS 68 Ca -0.03 -0.31 -0.10 0.00 -0.15 0.00 0.00 55.06 54.47 2jts s HIS 68 Cb 0.14 -0.71 0.01 0.00 1.11 0.00 0.00 32.58 33.13 2jts s HIS 68 CO 0.72 -0.47 0.21 0.08 -0.85 0.00 0.00 174.74 174.42 2jts s VAL 69 N 2.10 0.07 -0.20 -0.90 1.01 -1.26 -1.38 120.40 119.84 2jts s VAL 69 Ca 0.02 -0.58 -0.10 0.00 0.00 0.00 0.00 61.98 61.32 2jts s VAL 69 Cb -0.15 -0.50 0.07 0.00 0.00 0.00 0.00 36.38 35.79 2jts s VAL 69 CO -0.08 -0.32 0.48 -0.70 0.00 0.00 0.00 175.10 174.48 2jts s GLU 70 N -1.31 0.46 -0.40 2.72 2.12 -0.98 -4.95 118.70 116.38 2jts s GLU 70 Ca -0.14 0.94 -0.29 0.00 0.36 0.00 0.00 54.97 55.84 2jts s GLU 70 Cb -0.06 0.09 0.02 0.00 0.26 0.00 0.00 34.13 34.44 2jts s GLU 70 CO 0.03 -0.17 1.10 1.21 -0.54 0.00 0.00 175.26 176.88 2jts s ASN 71 N 1.66 6.78 0.47 -1.70 2.47 -1.26 -0.90 114.94 122.46 2jts s ASN 71 Ca -0.09 0.76 0.19 0.00 0.42 0.00 0.00 52.86 54.14 2jts s ASN 71 Cb -0.08 -2.54 1.16 0.00 -1.45 0.00 0.00 41.25 38.33 2jts s ASN 71 CO -0.15 -1.05 2.02 0.00 -3.72 0.00 0.00 177.10 174.20 2jts h ALA 72 N 8.63 1.56 0.00 1.71 0.00 -1.52 -3.47 119.26 126.17 2jts h ALA 72 Ca -0.22 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2jts h ALA 72 Cb 1.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2jts h ALA 72 CO 1.08 0.21 0.00 0.41 0.00 0.00 0.00 179.25 180.94 2jts n GLY 73 N -0.91 1.20 0.00 0.00 0.00 -1.26 -4.84 105.19 99.38 2jts n GLY 73 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2jts n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jts n GLY 74 N -0.04 2.73 0.38 -0.02 0.00 -1.26 -3.58 105.19 103.39 2jts n GLY 74 Ca 0.00 -1.27 0.16 0.00 0.00 0.00 0.00 46.02 44.91 2jts n GLY 74 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2jts h LEU 75 N 0.00 0.30 -1.45 0.99 5.85 -1.26 0.10 115.31 119.83 2jts h LEU 75 Ca 0.00 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 2jts h LEU 75 Cb 0.00 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 2jts h LEU 75 CO 0.00 0.16 -0.28 0.11 -0.34 0.00 0.00 178.44 178.09 2jts h LYS 76 N 0.32 0.00 -0.01 1.25 1.57 -1.86 -3.21 116.57 114.63 2jts h LYS 76 Ca 0.33 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.86 2jts h LYS 76 Cb 0.83 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.16 2jts h LYS 76 CO -0.08 0.28 -0.95 0.22 -0.57 0.00 0.00 179.45 178.34 2jts h ASP 77 N 0.00 0.85 -1.74 0.86 3.58 -1.31 -3.46 116.42 115.20 2jts h ASP 77 Ca -0.00 -0.74 -0.65 0.00 0.42 0.00 0.00 57.03 56.06 2jts h ASP 77 Cb 0.52 -0.26 0.01 0.00 1.72 0.00 0.00 39.33 41.32 2jts h ASP 77 CO 0.04 1.47 1.16 -0.38 -2.88 0.00 0.00 179.24 178.65 2jts n ILE 78 N -3.93 0.44 -1.29 2.25 2.08 -1.20 -4.84 119.36 112.86 2jts n ILE 78 Ca -0.11 -0.15 -0.21 0.00 0.56 0.00 0.00 62.75 62.84 2jts n ILE 78 Cb 0.84 -1.76 -0.10 0.00 -0.75 0.00 0.00 39.64 37.86 2jts n ILE 78 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2jts n ALA 79 N 7.46 6.47 -2.53 -1.39 0.00 -1.26 -4.86 120.51 124.40 2jts n ALA 79 Ca 0.28 -2.58 -0.14 0.00 0.00 0.00 0.00 53.44 51.00 2jts n ALA 79 Cb 0.26 -2.28 -0.11 0.00 0.00 0.00 0.00 19.45 17.32 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 -0.41 0.80 0.47 0.00 -1.94 -1.26 -5.14 119.30 111.83 2jts s MET 80 Ca 0.63 -1.10 -0.22 0.00 -1.71 0.00 0.00 55.69 53.29 2jts s MET 80 Cb 0.34 -0.50 -0.10 0.00 2.01 0.00 0.00 34.83 36.59 2jts s MET 80 CO -0.12 0.08 0.87 -2.30 -0.01 0.00 0.00 175.02 173.54 2jts n PRO 81 N 0.70 1.03 -3.87 2.03 -0.02 -1.26 -4.88 135.00 128.74 2jts n PRO 81 Ca -0.17 0.38 -0.11 0.00 -2.02 0.00 0.00 63.50 61.58 2jts n PRO 81 Cb 0.57 -1.94 -0.11 0.00 -0.02 0.00 0.00 33.50 32.01 2jts n PRO 81 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2jts s LYS 82 N -2.10 0.39 0.04 -0.52 -2.85 -1.26 -0.82 119.74 112.63 2jts s LYS 82 Ca 0.66 -0.28 -0.11 0.00 -1.00 0.00 0.00 55.97 55.25 2jts s LYS 82 Cb -0.52 0.16 0.01 0.00 -2.06 0.00 0.00 37.83 35.42 2jts s LYS 82 CO 0.55 -0.09 0.23 0.54 0.10 0.00 0.00 175.35 176.68 2jts s VAL 83 N -1.04 0.10 0.62 1.79 0.11 -0.27 -4.86 120.40 116.84 2jts s VAL 83 Ca -0.11 -0.82 -0.18 0.00 -2.93 0.00 0.00 61.98 57.94 2jts s VAL 83 Cb -0.06 -0.90 -0.02 0.00 -1.53 0.00 0.00 36.38 33.86 2jts s VAL 83 CO 0.01 -0.45 1.24 -0.54 -3.33 0.00 0.00 175.10 172.03 2jts s LYS 84 N -2.51 2.80 0.00 1.54 1.02 -1.26 -0.83 119.74 120.50 2jts s LYS 84 Ca -0.05 1.90 0.02 0.00 0.02 0.00 0.00 55.97 57.86 2jts s LYS 84 Cb -0.01 -1.90 0.14 0.00 -0.52 0.00 0.00 37.83 35.54 2jts s LYS 84 CO -0.03 -1.36 0.62 0.41 -0.92 0.00 0.00 175.35 174.07