#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 0.23 -0.22 0.00 2.02 -1.26 -3.10 118.70 116.37 2jts s GLU 2 Ca 0.00 -0.31 -0.03 0.00 0.02 0.00 0.00 54.97 54.66 2jts s GLU 2 Cb 0.00 0.09 0.07 0.00 0.10 0.00 0.00 34.13 34.39 2jts s GLU 2 CO 0.00 -0.04 0.06 -1.01 0.02 0.00 0.00 175.26 174.29 2jts s HIS 3 N -0.85 0.97 0.48 1.61 3.76 -0.35 -4.97 115.29 115.94 2jts s HIS 3 Ca -0.09 -0.93 -0.21 0.00 -0.15 0.00 0.00 55.06 53.68 2jts s HIS 3 Cb -0.06 -1.08 -0.08 0.00 1.11 0.00 0.00 32.58 32.47 2jts s HIS 3 CO -0.00 -0.66 1.07 -1.58 -0.85 0.00 0.00 174.74 172.72 2jts s TRP 4 N 1.87 2.96 -0.02 1.40 0.52 -1.20 -1.24 118.94 123.24 2jts s TRP 4 Ca 0.02 1.58 0.00 0.00 0.02 0.00 0.00 56.10 57.72 2jts s TRP 4 Cb -0.17 -3.14 0.02 0.00 -1.15 0.00 0.00 33.47 29.03 2jts s TRP 4 CO -0.13 -1.00 -0.00 0.42 0.02 0.00 0.00 176.95 176.26 2jts s ILE 5 N -1.85 0.15 -0.76 2.03 -1.09 -0.49 -3.81 121.20 115.37 2jts s ILE 5 Ca 0.67 0.07 -0.18 0.00 -2.23 0.00 0.00 60.65 58.98 2jts s ILE 5 Cb -0.20 -0.23 0.14 0.00 -1.58 0.00 0.00 42.46 40.59 2jts s ILE 5 CO 0.24 0.12 0.87 -0.62 -1.23 0.00 0.00 174.94 174.32 2jts s ASP 6 N 0.84 6.46 -0.55 3.58 -1.08 -0.24 -1.32 116.67 124.37 2jts s ASP 6 Ca -0.08 -1.90 0.00 0.00 -0.52 0.00 0.00 52.55 50.06 2jts s ASP 6 Cb -0.11 -2.32 0.51 0.00 -1.46 0.00 0.00 42.92 39.54 2jts s ASP 6 CO -0.02 -0.99 1.97 1.33 0.52 0.00 0.00 175.17 177.98 2jts n VAL 7 N 5.19 3.35 -4.15 1.11 0.24 -0.73 -0.74 118.33 122.61 2jts n VAL 7 Ca 0.07 -2.38 -0.17 0.00 -2.04 0.00 0.00 64.34 59.82 2jts n VAL 7 Cb 0.46 -0.90 -0.05 0.00 -1.47 0.00 0.00 33.84 31.88 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 -0.89 0.60 -1.60 7.34 0.00 -1.26 -1.15 116.66 119.70 2jts n ARG 8 Ca 0.58 -3.04 -0.40 0.00 -0.00 0.00 0.00 57.85 55.00 2jts n ARG 8 Cb 1.05 2.75 0.03 0.00 0.00 0.00 0.00 32.46 36.29 2jts n ARG 8 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 2jts n VAL 9 N -0.61 2.91 0.99 5.15 0.24 -1.26 -4.41 118.33 121.35 2jts n VAL 9 Ca 0.03 -0.50 0.14 0.00 -2.04 0.00 0.00 64.34 61.97 2jts n VAL 9 Cb 0.60 -1.12 0.62 0.00 -1.47 0.00 0.00 33.84 32.47 2jts n VAL 9 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2jts n PRO 10 N -0.33 0.01 -0.29 7.34 -0.04 -1.26 -4.07 135.00 136.35 2jts n PRO 10 Ca 0.11 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.61 2jts n PRO 10 Cb 0.43 -1.51 0.17 0.00 -0.04 0.00 0.00 33.50 32.56 2jts n PRO 10 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2jts h GLU 11 N 0.00 0.72 -0.14 0.54 4.57 -2.01 -1.12 114.58 117.15 2jts h GLU 11 Ca 0.00 -0.04 -0.17 0.00 -1.18 0.00 0.00 59.36 57.97 2jts h GLU 11 Cb 0.51 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 2jts h GLU 11 CO 0.00 0.48 -0.63 -0.56 -1.18 0.00 0.00 179.01 177.12 2jts h GLN 12 N 0.74 0.49 -0.17 1.92 -0.00 -1.91 -3.14 115.11 113.04 2jts h GLN 12 Ca 0.40 -0.35 0.05 0.00 -0.00 0.00 0.00 58.65 58.75 2jts h GLN 12 Cb 0.41 0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 27.93 2jts h GLN 12 CO -0.27 0.96 0.14 -0.92 -0.00 0.00 0.00 178.83 178.74 2jts h TYR 13 N 0.36 0.00 -0.24 0.06 5.03 -1.31 -1.11 116.97 119.76 2jts h TYR 13 Ca -0.01 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.28 2jts h TYR 13 Cb 1.18 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.45 2jts h TYR 13 CO 0.05 0.00 0.05 1.96 -1.32 0.00 0.00 178.16 178.90 2jts h GLN 14 N 0.00 0.38 -0.02 1.82 1.08 -1.43 -2.88 115.11 114.06 2jts h GLN 14 Ca 0.08 -0.09 -0.13 0.00 -1.45 0.00 0.00 58.65 57.06 2jts h GLN 14 Cb 0.35 -0.05 0.01 0.00 -0.05 0.00 0.00 27.48 27.74 2jts h GLN 14 CO -0.00 0.49 -0.49 -0.56 -0.95 0.00 0.00 178.83 177.33 2jts h GLN 15 N 0.20 0.37 -1.96 1.46 3.07 -1.38 -0.45 115.11 116.43 2jts h GLN 15 Ca 0.07 -0.37 0.02 0.00 0.09 0.00 0.00 58.65 58.46 2jts h GLN 15 Cb 0.29 0.10 -0.19 0.00 0.08 0.00 0.00 27.48 27.75 2jts h GLN 15 CO 0.00 1.04 0.36 -1.83 0.09 0.00 0.00 178.83 178.49 2jts s GLU 16 N -3.31 0.88 0.09 0.06 1.03 -0.65 -4.11 118.70 112.69 2jts s GLU 16 Ca -0.14 0.09 -0.08 0.00 0.03 0.00 0.00 54.97 54.87 2jts s GLU 16 Cb 0.03 0.41 -0.00 0.00 -0.80 0.00 0.00 34.13 33.77 2jts s GLU 16 CO 0.80 -0.30 0.19 -3.38 -1.33 0.00 0.00 175.26 171.24 2jts s HIS 17 N -1.61 0.19 0.06 4.83 -3.43 -0.16 -3.82 115.29 111.35 2jts s HIS 17 Ca -0.05 -0.62 -0.34 0.00 -0.80 0.00 0.00 55.06 53.26 2jts s HIS 17 Cb -0.00 -0.07 -0.13 0.00 -1.43 0.00 0.00 32.58 30.95 2jts s HIS 17 CO 0.03 -0.56 1.72 0.28 -2.00 0.00 0.00 174.74 174.21 2jts n VAL 18 N -0.07 0.26 0.26 -5.38 0.31 -1.26 -1.36 118.33 111.08 2jts n VAL 18 Ca -0.14 -0.05 0.08 0.00 -0.01 0.00 0.00 64.34 64.22 2jts n VAL 18 Cb 0.62 -1.72 0.64 0.00 -0.91 0.00 0.00 33.84 32.47 2jts n VAL 18 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 2jts h GLN 19 N 7.41 0.00 -0.67 5.55 -0.00 -1.43 -1.34 115.11 124.64 2jts h GLN 19 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.19 2jts h GLN 19 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.74 2jts h GLN 19 CO 0.92 0.04 0.00 0.41 0.00 0.00 0.00 178.83 180.19 2jts n GLY 20 N -1.41 2.05 3.54 2.39 0.00 -1.26 -4.95 105.19 105.55 2jts n GLY 20 Ca -0.03 -0.54 -0.25 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.89 2.80 -0.02 4.61 0.00 -0.50 -3.21 121.76 123.55 2jts s ALA 21 Ca 0.32 -2.08 -0.03 0.00 0.00 0.00 0.00 51.96 50.17 2jts s ALA 21 Cb 0.23 0.42 0.00 0.00 0.00 0.00 0.00 23.12 23.78 2jts s ALA 21 CO 0.13 -0.22 0.08 0.96 0.00 0.00 0.00 175.76 176.71 2jts s ILE 22 N -3.02 0.03 -0.32 0.00 -4.36 -1.25 -4.91 121.20 107.37 2jts s ILE 22 Ca 0.34 -0.22 -0.29 0.00 -0.26 0.00 0.00 60.65 60.22 2jts s ILE 22 Cb 0.09 -0.19 0.01 0.00 1.25 0.00 0.00 42.46 43.62 2jts s ILE 22 CO 0.16 -0.12 1.12 0.21 0.24 0.00 0.00 174.94 176.55 2jts s ASN 23 N -0.37 6.88 -0.43 4.36 3.84 -1.26 -1.08 114.94 126.89 2jts s ASN 23 Ca -0.04 1.07 0.07 0.00 0.21 0.00 0.00 52.86 54.17 2jts s ASN 23 Cb -0.03 -2.54 0.22 0.00 -0.55 0.00 0.00 41.25 38.35 2jts s ASN 23 CO 0.00 -0.92 0.48 -0.38 -2.79 0.00 0.00 177.10 173.50 2jts n ILE 24 N 5.94 -0.53 -1.48 -5.21 2.08 0.08 -4.96 119.36 115.28 2jts n ILE 24 Ca 0.12 -3.96 -0.38 0.00 0.56 0.00 0.00 62.75 59.10 2jts n ILE 24 Cb 0.47 -1.89 0.05 0.00 -0.75 0.00 0.00 39.64 37.52 2jts n ILE 24 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 2jts n PRO 25 N 1.80 0.58 -0.37 0.38 -0.02 -1.26 -4.22 135.00 131.88 2jts n PRO 25 Ca 0.24 0.23 0.29 0.00 -2.02 0.00 0.00 63.50 62.24 2jts n PRO 25 Cb 0.50 -1.86 0.57 0.00 -0.02 0.00 0.00 33.50 32.69 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 0.19 0.35 -2.11 2.45 5.85 -1.43 0.13 115.31 120.73 2jts h LEU 26 Ca -0.46 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.36 2jts h LEU 26 Cb 1.38 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.48 2jts h LEU 26 CO 0.47 -0.04 0.00 0.11 -0.34 0.00 0.00 178.44 178.64 2jts h LYS 27 N 0.25 0.00 0.00 1.25 1.57 -1.89 -3.28 116.57 114.47 2jts h LYS 27 Ca 0.70 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.48 2jts h LYS 27 Cb 1.99 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.30 2jts h LYS 27 CO -0.35 0.00 -0.63 0.39 -0.57 0.00 0.00 179.45 178.29 2jts n GLU 28 N -2.84 2.35 -0.40 3.15 1.02 0.25 -4.84 120.64 119.34 2jts n GLU 28 Ca -0.01 0.00 0.32 0.00 -0.02 0.00 0.00 57.16 57.45 2jts n GLU 28 Cb 0.13 -0.81 0.61 0.00 -0.02 0.00 0.00 31.44 31.35 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 0.27 -0.87 2.62 3.04 -1.09 0.59 116.25 120.81 2jts h VAL 29 Ca 0.00 -0.06 0.15 0.00 -1.01 0.00 0.00 66.70 65.78 2jts h VAL 29 Cb 0.26 0.07 -0.07 0.00 -2.01 0.00 0.00 31.29 29.55 2jts h VAL 29 CO 0.00 0.03 0.56 0.50 -1.01 0.00 0.00 177.57 177.66 2jts h LYS 30 N 0.18 0.60 0.00 4.17 3.64 -1.87 -1.31 116.57 121.98 2jts h LYS 30 Ca 0.73 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.91 2jts h LYS 30 Cb 2.23 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 33.89 2jts h LYS 30 CO -0.35 0.39 -1.63 0.39 -2.27 0.00 0.00 179.45 175.99 2jts n GLU 31 N -4.55 0.48 0.19 1.90 1.02 -0.48 -4.66 120.64 114.54 2jts n GLU 31 Ca 0.17 0.06 0.14 0.00 -0.02 0.00 0.00 57.16 57.51 2jts n GLU 31 Cb 0.51 -1.22 0.61 0.00 -0.02 0.00 0.00 31.44 31.31 2jts n GLU 31 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2jts h ARG 32 N 0.00 0.00 -0.36 3.49 2.43 -0.91 -1.12 114.38 117.92 2jts h ARG 32 Ca -0.25 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 58.98 2jts h ARG 32 Cb 1.40 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.93 2jts h ARG 32 CO -0.03 0.00 0.24 0.97 -1.51 0.00 0.00 179.97 179.64 2jts h ILE 33 N 0.00 0.95 -0.72 1.20 6.09 -1.45 -2.03 117.51 121.55 2jts h ILE 33 Ca 0.00 -0.09 -0.04 0.00 -1.37 0.00 0.00 64.86 63.36 2jts h ILE 33 Cb 0.32 0.68 -0.03 0.00 0.47 0.00 0.00 36.82 38.25 2jts h ILE 33 CO 0.00 0.05 0.28 0.00 -3.07 0.00 0.00 178.15 175.41 2jts h ALA 34 N 1.81 0.93 -0.21 0.18 0.00 -1.44 0.15 119.26 120.69 2jts h ALA 34 Ca 0.16 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 2jts h ALA 34 Cb 0.30 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2jts h ALA 34 CO -0.03 0.56 -0.47 1.79 0.00 0.00 0.00 179.25 181.10 2jts h THR 35 N 1.03 1.31 -0.17 0.00 1.35 -1.66 -3.00 112.91 111.78 2jts h THR 35 Ca 0.24 -1.67 -0.08 0.00 -0.55 0.00 0.00 66.41 64.34 2jts h THR 35 Cb 0.22 1.66 -0.00 0.00 -1.73 0.00 0.00 68.15 68.30 2jts h THR 35 CO -0.02 0.52 -0.21 0.00 -0.25 0.00 0.00 175.52 175.57 2jts h ALA 36 N 1.06 0.25 -2.29 6.62 0.00 -0.62 -3.41 119.26 120.87 2jts h ALA 36 Ca 0.02 -0.36 -0.50 0.00 0.00 0.00 0.00 54.91 54.08 2jts h ALA 36 Cb 0.98 -0.05 -0.36 0.00 0.00 0.00 0.00 17.79 18.37 2jts h ALA 36 CO 0.09 0.19 -0.81 0.08 0.00 0.00 0.00 179.25 178.80 2jts s VAL 37 N -4.23 -0.02 0.25 0.00 1.01 0.45 -5.02 120.40 112.83 2jts s VAL 37 Ca -0.14 -1.60 -0.06 0.00 0.00 0.00 0.00 61.98 60.18 2jts s VAL 37 Cb 0.06 -0.95 0.23 0.00 0.00 0.00 0.00 36.38 35.72 2jts s VAL 37 CO 0.77 -0.87 1.89 -0.65 0.00 0.00 0.00 175.10 176.24 2jts h PRO 38 N 6.74 1.13 -6.20 2.72 0.11 -1.73 -3.38 132.00 131.39 2jts h PRO 38 Ca 0.09 -0.07 -0.56 0.00 0.11 0.00 0.00 66.00 65.58 2jts h PRO 38 Cb 0.99 -0.25 -0.09 0.00 0.11 0.00 0.00 31.00 31.76 2jts h PRO 38 CO 0.25 0.74 1.02 0.34 -0.21 0.00 0.00 178.00 180.15 2jts s ASP 39 N -5.93 6.19 0.00 -2.05 2.15 -1.26 -4.89 116.67 110.88 2jts s ASP 39 Ca -0.13 -0.62 0.09 0.00 0.43 0.00 0.00 52.55 52.32 2jts s ASP 39 Cb 0.18 -2.54 0.42 0.00 -0.30 0.00 0.00 42.92 40.69 2jts s ASP 39 CO 0.80 -1.75 1.24 0.29 -0.17 0.00 0.00 175.17 175.58 2jts n LYS 40 N 9.08 0.06 0.00 4.34 5.02 -1.26 -1.64 118.16 133.76 2jts n LYS 40 Ca 0.05 0.28 0.10 0.00 -2.02 0.00 0.00 58.31 56.71 2jts n LYS 40 Cb 0.49 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.94 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 -1.40 1.42 -4.76 4.39 2.85 -1.26 -1.24 115.26 115.26 2jts n ASN 41 Ca 0.03 -1.21 -0.35 0.00 -0.11 0.00 0.00 54.58 52.94 2jts n ASN 41 Cb 0.09 0.74 0.03 0.00 1.24 0.00 0.00 39.78 41.88 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 -2.58 5.23 0.18 1.20 2.15 -0.65 -4.60 116.67 117.60 2jts s ASP 42 Ca 0.12 2.27 -0.31 0.00 0.43 0.00 0.00 52.55 55.06 2jts s ASP 42 Cb 0.16 -2.59 -0.10 0.00 -0.30 0.00 0.00 42.92 40.10 2jts s ASP 42 CO 0.66 -1.56 1.48 -0.89 -0.17 0.00 0.00 175.17 174.70 2jts s THR 43 N -1.79 2.81 -0.10 1.71 2.01 -1.18 -4.72 115.64 114.39 2jts s THR 43 Ca 0.74 0.61 0.03 0.00 0.31 0.00 0.00 61.69 63.39 2jts s THR 43 Cb -0.27 -3.39 0.00 0.00 0.01 0.00 0.00 72.50 68.85 2jts s THR 43 CO 0.34 0.06 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.43 2jts s VAL 44 N 0.79 1.86 -0.52 3.82 1.01 -0.40 -1.21 120.40 125.76 2jts s VAL 44 Ca 0.65 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.77 2jts s VAL 44 Cb -0.41 -1.63 0.15 0.00 0.00 0.00 0.00 36.38 34.49 2jts s VAL 44 CO 0.34 0.52 0.32 -0.54 0.00 0.00 0.00 175.10 175.74 2jts s LYS 45 N 0.47 1.67 0.62 2.72 1.02 -0.37 -1.02 119.74 124.85 2jts s LYS 45 Ca -0.17 -2.48 -0.15 0.00 0.02 0.00 0.00 55.97 53.19 2jts s LYS 45 Cb -0.17 -2.69 -0.02 0.00 -0.52 0.00 0.00 37.83 34.43 2jts s LYS 45 CO 0.07 -1.21 1.08 0.14 -0.92 0.00 0.00 175.35 174.51 2jts s VAL 46 N -0.26 3.53 0.10 3.17 -7.23 -0.58 -1.40 120.40 117.73 2jts s VAL 46 Ca 0.21 0.72 -0.17 0.00 -1.81 0.00 0.00 61.98 60.94 2jts s VAL 46 Cb -0.16 -3.25 0.04 0.00 0.56 0.00 0.00 36.38 33.56 2jts s VAL 46 CO -0.06 -0.43 0.40 -0.72 -0.31 0.00 0.00 175.10 173.98 2jts s TYR 47 N -2.38 -0.22 0.00 2.82 -0.85 -0.43 -0.97 117.35 115.31 2jts s TYR 47 Ca 0.65 -0.02 0.00 0.00 -0.52 0.00 0.00 57.07 57.19 2jts s TYR 47 Cb -0.18 0.25 0.00 0.00 0.38 0.00 0.00 41.96 42.40 2jts s TYR 47 CO 0.39 -0.66 0.00 0.00 -1.52 0.00 0.00 175.55 173.75 2jts h ASN 49 N 0.00 0.75 0.00 0.00 -1.24 -1.94 -2.30 115.58 110.85 2jts h ASN 49 Ca 0.00 -0.53 0.00 0.00 0.71 0.00 0.00 56.30 56.48 2jts h ASN 49 Cb 0.00 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 38.83 2jts h ASN 49 CO 0.00 1.31 0.00 0.00 -1.29 0.00 0.00 177.43 177.45 2jts n ALA 50 N -2.58 0.79 0.00 1.57 0.00 -1.26 -4.11 120.51 114.92 2jts n ALA 50 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2jts n ALA 50 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.23 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 -0.26 0.19 0.35 0.00 0.00 -1.17 -3.00 105.19 101.30 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 0.00 -0.85 -0.23 1.61 2.43 -1.98 0.58 114.38 115.94 2jts h ARG 52 Ca 0.00 0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 2jts h ARG 52 Cb 0.00 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 2jts h ARG 52 CO 0.00 -0.57 0.04 1.96 -1.51 0.00 0.00 179.97 179.89 2jts h GLN 53 N -0.96 0.33 0.01 0.20 4.20 -1.93 -0.87 115.11 116.09 2jts h GLN 53 Ca -0.09 -0.04 -0.21 0.00 0.06 0.00 0.00 58.65 58.37 2jts h GLN 53 Cb 0.68 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 2jts h GLN 53 CO 0.15 0.32 -0.91 0.66 -0.67 0.00 0.00 178.83 178.38 2jts h SER 54 N 0.33 0.35 -0.39 1.46 4.64 -1.83 -1.55 113.55 116.56 2jts h SER 54 Ca 0.08 -0.29 0.02 0.00 -0.47 0.00 0.00 61.79 61.13 2jts h SER 54 Cb 0.16 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.11 2jts h SER 54 CO -0.00 1.10 0.22 1.23 -0.87 0.00 0.00 176.83 178.51 2jts h GLY 55 N 1.64 0.53 0.98 -0.77 0.00 0.15 0.17 103.07 105.77 2jts h GLY 55 Ca -0.06 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 2jts h GLY 55 CO 0.15 0.14 -0.02 1.46 0.00 0.00 0.00 176.54 178.27 2jts h GLN 56 N 0.45 -0.05 -0.90 4.80 1.08 -1.17 -1.92 115.11 117.40 2jts h GLN 56 Ca 0.15 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.40 2jts h GLN 56 Cb 0.01 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.40 2jts h GLN 56 CO -0.07 -0.01 0.59 0.00 -0.95 0.00 0.00 178.83 178.39 2jts h ALA 57 N 0.90 1.45 -0.51 3.87 0.00 -1.00 -1.49 119.26 122.48 2jts h ALA 57 Ca -0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 2jts h ALA 57 Cb 0.06 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2jts h ALA 57 CO 0.01 0.45 -0.09 -0.22 0.00 0.00 0.00 179.25 179.40 2jts h LYS 58 N 1.11 0.93 -0.54 0.00 3.11 -0.22 0.53 116.57 121.49 2jts h LYS 58 Ca 0.37 -0.32 -0.11 0.00 -2.81 0.00 0.00 60.65 57.78 2jts h LYS 58 Cb 0.06 -0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 31.20 2jts h LYS 58 CO -0.12 0.97 -0.09 0.93 -2.81 0.00 0.00 179.45 178.34 2jts h GLU 59 N 0.84 0.99 -0.42 1.90 4.39 -0.83 -0.93 114.58 120.51 2jts h GLU 59 Ca 0.14 -0.35 0.02 0.00 0.34 0.00 0.00 59.36 59.51 2jts h GLU 59 Cb 0.62 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.16 2jts h GLU 59 CO 0.04 1.02 0.23 0.82 -1.16 0.00 0.00 179.01 179.97 2jts h ILE 60 N 0.89 1.01 -0.53 3.13 2.04 -0.66 -0.58 117.51 122.81 2jts h ILE 60 Ca 0.14 -0.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.79 2jts h ILE 60 Cb 0.64 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 2jts h ILE 60 CO 0.04 0.09 0.12 -0.07 0.00 0.00 0.00 178.15 178.33 2jts h LEU 61 N 0.47 0.76 -0.56 1.44 3.38 -0.63 0.17 115.31 120.33 2jts h LEU 61 Ca 0.17 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2jts h LEU 61 Cb 0.04 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2jts h LEU 61 CO -0.10 0.75 0.15 0.28 0.09 0.00 0.00 178.44 179.60 2jts h SER 62 N 0.78 0.84 -0.03 -0.43 0.02 -0.67 -1.26 113.55 112.80 2jts h SER 62 Ca 0.17 -0.23 -0.08 0.00 -0.84 0.00 0.00 61.79 60.81 2jts h SER 62 Cb 0.29 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2jts h SER 62 CO -0.00 0.84 -0.22 -0.33 -1.14 0.00 0.00 176.83 175.98 2jts h GLU 63 N 0.79 0.42 0.00 3.45 5.08 -0.55 -1.39 114.58 122.37 2jts h GLU 63 Ca 0.18 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2jts h GLU 63 Cb 0.33 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2jts h GLU 63 CO -0.00 0.62 0.00 -1.33 -1.00 0.00 0.00 179.01 177.30 2jts n MET 64 N -4.15 0.38 -1.03 2.33 2.81 -0.01 -4.89 117.12 112.57 2jts n MET 64 Ca -0.00 0.07 -0.01 0.00 -1.81 0.00 0.00 57.70 55.94 2jts n MET 64 Cb 0.37 -1.50 -0.00 0.00 -0.71 0.00 0.00 33.22 31.38 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 0.15 0.48 3.75 3.03 0.00 -0.53 -5.04 105.19 107.03 2jts n GLY 65 Ca 0.10 -0.89 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.03 2.34 0.17 1.61 1.51 -0.53 -4.92 117.35 115.50 2jts s TYR 66 Ca 0.00 1.60 0.02 0.00 -1.01 0.00 0.00 57.07 57.68 2jts s TYR 66 Cb 0.00 -3.21 -0.05 0.00 -0.11 0.00 0.00 41.96 38.59 2jts s TYR 66 CO 0.00 -2.07 0.01 0.95 -1.11 0.00 0.00 175.55 173.33 2jts s THR 67 N -2.50 0.63 -1.34 -0.71 -4.23 -0.37 -4.63 115.64 102.49 2jts s THR 67 Ca 0.66 -1.98 -0.08 0.00 -1.18 0.00 0.00 61.69 59.12 2jts s THR 67 Cb -0.21 -2.14 0.05 0.00 1.34 0.00 0.00 72.50 71.54 2jts s THR 67 CO 0.49 -0.45 0.51 1.41 -0.54 0.00 0.00 174.62 176.05 2jts n HIS 68 N -0.24 -1.83 -3.12 3.99 8.25 -1.26 -4.48 115.22 116.52 2jts n HIS 68 Ca -0.06 0.47 -0.37 0.00 -0.26 0.00 0.00 57.72 57.51 2jts n HIS 68 Cb 0.63 -3.32 -0.06 0.00 1.12 0.00 0.00 29.99 28.37 2jts n HIS 68 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2jts s VAL 69 N -2.98 4.58 0.03 1.59 1.01 -1.26 -1.27 120.40 122.10 2jts s VAL 69 Ca 0.37 1.30 -0.09 0.00 0.00 0.00 0.00 61.98 63.55 2jts s VAL 69 Cb -0.19 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.31 2jts s VAL 69 CO 0.45 0.28 0.19 -0.70 0.00 0.00 0.00 175.10 175.33 2jts s GLU 70 N -1.78 0.66 -0.27 2.72 2.56 -0.19 -4.94 118.70 117.46 2jts s GLU 70 Ca 0.40 -0.59 -0.06 0.00 0.00 0.00 0.00 54.97 54.72 2jts s GLU 70 Cb -0.18 0.28 0.01 0.00 2.00 0.00 0.00 34.13 36.23 2jts s GLU 70 CO 0.21 -0.19 0.04 1.21 -0.56 0.00 0.00 175.26 175.98 2jts s ASN 71 N -1.98 4.92 0.44 -1.70 2.47 -1.26 -1.53 114.94 116.30 2jts s ASN 71 Ca -0.07 -0.64 0.24 0.00 0.42 0.00 0.00 52.86 52.81 2jts s ASN 71 Cb -0.02 -1.84 0.92 0.00 -1.45 0.00 0.00 41.25 38.87 2jts s ASN 71 CO -0.03 -0.15 1.83 0.00 -3.72 0.00 0.00 177.10 175.03 2jts h ALA 72 N 8.19 1.02 0.00 1.71 0.00 -1.36 -3.49 119.26 125.32 2jts h ALA 72 Ca -0.33 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2jts h ALA 72 Cb 1.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2jts h ALA 72 CO 0.60 0.27 0.00 0.41 0.00 0.00 0.00 179.25 180.53 2jts n GLY 73 N 0.16 1.64 3.51 0.00 0.00 -1.26 -4.80 105.19 104.44 2jts n GLY 73 Ca 0.00 -0.77 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 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 1.13 0.42 -0.02 0.00 -1.16 -1.06 107.32 106.63 2jts s GLY 74 Ca 0.00 -1.30 0.22 0.00 0.00 0.00 0.00 44.72 43.64 2jts s GLY 74 CO 0.00 -0.88 1.75 -2.00 0.00 0.00 0.00 173.10 171.97 2jts h LEU 75 N 2.19 0.37 -1.65 0.66 5.85 -1.56 -0.12 115.31 121.05 2jts h LEU 75 Ca -0.28 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.48 2jts h LEU 75 Cb 1.24 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 2jts h LEU 75 CO 0.39 0.04 -0.20 0.11 -0.34 0.00 0.00 178.44 178.44 2jts h LYS 76 N 0.31 0.00 -0.01 1.25 6.56 -1.89 -3.25 116.57 119.54 2jts h LYS 76 Ca 0.62 0.00 -0.11 0.00 -1.06 0.00 0.00 60.65 60.10 2jts h LYS 76 Cb 1.73 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 33.40 2jts h LYS 76 CO -0.28 0.20 -0.43 0.22 -2.06 0.00 0.00 179.45 177.09 2jts h ASP 77 N 0.00 0.40 -2.09 0.86 3.58 -1.32 -3.45 116.42 114.41 2jts h ASP 77 Ca -0.00 -0.75 -0.57 0.00 0.42 0.00 0.00 57.03 56.13 2jts h ASP 77 Cb 0.42 -0.12 0.01 0.00 1.72 0.00 0.00 39.33 41.35 2jts h ASP 77 CO 0.03 1.10 1.33 -0.38 -2.88 0.00 0.00 179.24 178.44 2jts n ILE 78 N -4.35 0.54 -1.44 2.25 -0.00 -1.23 -4.86 119.36 110.27 2jts n ILE 78 Ca -0.10 -0.27 -0.27 0.00 -0.00 0.00 0.00 62.75 62.11 2jts n ILE 78 Cb 0.59 -2.32 -0.07 0.00 -0.00 0.00 0.00 39.64 37.83 2jts n ILE 78 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2jts n ALA 79 N 9.24 6.67 -2.18 -1.39 0.00 -1.26 -4.87 120.51 126.73 2jts n ALA 79 Ca 0.26 -3.01 -0.11 0.00 0.00 0.00 0.00 53.44 50.58 2jts n ALA 79 Cb 0.40 -2.50 -0.10 0.00 0.00 0.00 0.00 19.45 17.25 2jts n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jts s MET 80 N -0.31 0.94 0.80 0.00 0.23 -1.26 -5.16 119.30 114.53 2jts s MET 80 Ca 0.62 -1.43 -0.15 0.00 -1.03 0.00 0.00 55.69 53.70 2jts s MET 80 Cb 0.30 -0.01 -0.02 0.00 -1.53 0.00 0.00 34.83 33.56 2jts s MET 80 CO -0.11 -0.16 0.44 -2.30 -2.03 0.00 0.00 175.02 170.86 2jts n PRO 81 N -0.11 0.11 -4.04 3.16 -0.02 -1.26 -4.83 135.00 128.00 2jts n PRO 81 Ca -0.08 0.08 -0.13 0.00 -2.02 0.00 0.00 63.50 61.35 2jts n PRO 81 Cb 0.63 -1.80 -0.13 0.00 -0.02 0.00 0.00 33.50 32.18 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 -2.99 0.36 0.03 -0.52 1.02 -1.26 -1.08 119.74 115.30 2jts s LYS 82 Ca 0.62 -0.44 -0.02 0.00 0.02 0.00 0.00 55.97 56.15 2jts s LYS 82 Cb -0.30 -0.19 -0.02 0.00 -0.52 0.00 0.00 37.83 36.80 2jts s LYS 82 CO 0.62 0.04 0.01 0.14 -0.92 0.00 0.00 175.35 175.24 2jts s VAL 83 N -0.81 0.13 0.85 3.17 -7.23 -0.47 -4.88 120.40 111.17 2jts s VAL 83 Ca -0.06 -1.07 -0.11 0.00 -1.81 0.00 0.00 61.98 58.93 2jts s VAL 83 Cb -0.06 -0.60 0.10 0.00 0.56 0.00 0.00 36.38 36.39 2jts s VAL 83 CO -0.00 -0.59 1.10 -1.59 -0.31 0.00 0.00 175.10 173.71 2jts s LYS 84 N -2.06 1.61 0.00 4.82 -2.85 -1.26 -0.99 119.74 119.01 2jts s LYS 84 Ca -0.10 1.08 0.00 0.00 -1.00 0.00 0.00 55.97 55.95 2jts s LYS 84 Cb -0.05 -1.83 0.00 0.00 -2.06 0.00 0.00 37.83 33.89 2jts s LYS 84 CO -0.03 -2.07 0.28 0.41 0.10 0.00 0.00 175.35 174.04