#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 0.88 -0.70 0.00 1.03 -1.26 -4.82 118.70 113.83 2jts s GLU 2 Ca 0.00 -1.16 -0.26 0.00 0.03 0.00 0.00 54.97 53.59 2jts s GLU 2 Cb 0.00 0.30 0.04 0.00 -0.80 0.00 0.00 34.13 33.67 2jts s GLU 2 CO 0.00 -0.27 1.17 -1.01 -1.33 0.00 0.00 175.26 173.82 2jts s HIS 3 N -3.93 2.44 0.41 4.83 3.76 -0.66 -4.90 115.29 117.23 2jts s HIS 3 Ca 0.12 -0.17 -0.24 0.00 -0.15 0.00 0.00 55.06 54.62 2jts s HIS 3 Cb 0.06 -4.50 -0.09 0.00 1.11 0.00 0.00 32.58 29.16 2jts s HIS 3 CO -0.06 -1.89 1.10 -1.58 -0.85 0.00 0.00 174.74 171.47 2jts s TRP 4 N 5.11 3.15 -0.10 1.40 0.52 -1.26 -0.99 118.94 126.78 2jts s TRP 4 Ca 0.31 1.60 -0.09 0.00 0.02 0.00 0.00 56.10 57.95 2jts s TRP 4 Cb -0.11 -3.24 0.03 0.00 -1.15 0.00 0.00 33.47 29.00 2jts s TRP 4 CO 0.14 -0.96 0.26 0.42 0.02 0.00 0.00 176.95 176.83 2jts s ILE 5 N -1.56 -0.00 -0.22 2.03 1.01 -0.05 -3.63 121.20 118.77 2jts s ILE 5 Ca 0.58 0.01 -0.13 0.00 0.00 0.00 0.00 60.65 61.11 2jts s ILE 5 Cb -0.26 -0.37 -0.04 0.00 0.01 0.00 0.00 42.46 41.80 2jts s ILE 5 CO 0.32 0.00 0.29 -0.62 0.00 0.00 0.00 174.94 174.93 2jts s ASP 6 N 0.22 6.29 -0.05 3.58 2.15 -0.13 -2.08 116.67 126.65 2jts s ASP 6 Ca -0.01 0.33 0.11 0.00 0.43 0.00 0.00 52.55 53.41 2jts s ASP 6 Cb -0.02 -2.17 0.32 0.00 -0.30 0.00 0.00 42.92 40.74 2jts s ASP 6 CO -0.00 -0.02 1.25 1.33 -0.17 0.00 0.00 175.17 177.56 2jts n VAL 7 N 4.34 1.34 -2.19 1.11 0.24 -0.63 -0.57 118.33 121.96 2jts n VAL 7 Ca -0.11 -1.26 -0.11 0.00 -2.04 0.00 0.00 64.34 60.82 2jts n VAL 7 Cb 0.51 0.29 0.06 0.00 -1.47 0.00 0.00 33.84 33.24 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 0.06 0.11 -1.09 7.34 0.63 -1.26 -0.47 116.66 121.97 2jts n ARG 8 Ca 0.12 -1.15 -0.34 0.00 -0.92 0.00 0.00 57.85 55.56 2jts n ARG 8 Cb 0.52 -0.36 0.12 0.00 0.45 0.00 0.00 32.46 33.18 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 -2.21 1.71 0.26 5.15 0.24 -1.26 -3.91 118.33 118.32 2jts n VAL 9 Ca 0.07 -0.24 0.11 0.00 -2.04 0.00 0.00 64.34 62.24 2jts n VAL 9 Cb 0.26 -1.04 0.51 0.00 -1.47 0.00 0.00 33.84 32.11 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 -2.60 0.15 -0.24 7.34 -0.04 -1.26 -2.91 135.00 135.43 2jts n PRO 10 Ca 0.12 0.53 0.02 0.00 -0.04 0.00 0.00 63.50 64.13 2jts n PRO 10 Cb 0.51 -1.89 0.10 0.00 -0.04 0.00 0.00 33.50 32.18 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 0.02 -0.31 0.54 4.81 -2.01 -1.57 114.58 116.06 2jts h GLU 11 Ca 0.00 -0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 2jts h GLU 11 Cb 0.16 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 2jts h GLU 11 CO 0.00 0.02 -0.41 -0.56 -0.73 0.00 0.00 179.01 177.33 2jts h GLN 12 N 0.02 0.74 -0.26 1.92 -0.00 -1.89 -2.78 115.11 112.87 2jts h GLN 12 Ca 0.35 -0.39 0.04 0.00 -0.00 0.00 0.00 58.65 58.66 2jts h GLN 12 Cb 0.56 0.01 -0.01 0.00 -0.00 0.00 0.00 27.48 28.04 2jts h GLN 12 CO -0.70 1.01 0.18 -0.92 -0.00 0.00 0.00 178.83 178.39 2jts h TYR 13 N 0.61 0.15 -0.54 0.06 5.03 -1.47 -0.71 116.97 120.09 2jts h TYR 13 Ca 0.05 0.00 -0.11 0.00 2.58 0.00 0.00 58.73 61.25 2jts h TYR 13 Cb 0.95 -0.05 -0.02 0.00 1.55 0.00 0.00 36.73 39.17 2jts h TYR 13 CO 0.05 0.09 -0.11 1.96 -1.32 0.00 0.00 178.16 178.83 2jts h GLN 14 N 0.15 1.02 0.24 1.82 1.08 -1.08 -3.27 115.11 115.07 2jts h GLN 14 Ca 0.11 -0.37 -0.01 0.00 -1.45 0.00 0.00 58.65 56.93 2jts h GLN 14 Cb 0.26 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 2jts h GLN 14 CO -0.02 1.06 -0.12 1.96 -0.95 0.00 0.00 178.83 180.77 2jts h GLN 15 N 0.90 -0.31 -1.67 1.46 4.20 -1.17 -0.68 115.11 117.85 2jts h GLN 15 Ca 0.14 0.02 0.10 0.00 0.06 0.00 0.00 58.65 58.98 2jts h GLN 15 Cb 0.67 0.07 -0.21 0.00 0.30 0.00 0.00 27.48 28.31 2jts h GLN 15 CO 0.05 0.04 0.57 -1.83 -0.67 0.00 0.00 178.83 176.99 2jts s GLU 16 N -4.29 0.60 -0.02 1.46 -1.05 -0.93 -4.68 118.70 109.79 2jts s GLU 16 Ca -0.14 0.04 -0.08 0.00 -0.15 0.00 0.00 54.97 54.64 2jts s GLU 16 Cb 0.02 0.28 0.01 0.00 -0.44 0.00 0.00 34.13 34.00 2jts s GLU 16 CO 0.53 -0.21 0.18 -3.38 0.95 0.00 0.00 175.26 173.33 2jts s HIS 17 N -1.57 -0.04 0.03 4.83 -3.43 0.32 -4.12 115.29 111.31 2jts s HIS 17 Ca 0.01 0.06 -0.35 0.00 -0.80 0.00 0.00 55.06 53.98 2jts s HIS 17 Cb -0.01 -0.00 -0.13 0.00 -1.43 0.00 0.00 32.58 31.01 2jts s HIS 17 CO -0.01 -0.27 1.68 0.28 -2.00 0.00 0.00 174.74 174.42 2jts n VAL 18 N 1.72 0.23 0.23 -5.38 0.31 -1.26 -1.12 118.33 113.06 2jts n VAL 18 Ca -0.21 -0.04 0.18 0.00 -0.01 0.00 0.00 64.34 64.26 2jts n VAL 18 Cb 0.56 -1.57 0.87 0.00 -0.91 0.00 0.00 33.84 32.79 2jts n VAL 18 CO 0.00 0.00 0.00 0.06 -1.32 0.00 0.00 176.83 175.57 2jts h GLN 19 N 7.07 0.00 -0.00 5.55 -0.00 -1.80 -1.48 115.11 124.44 2jts h GLN 19 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.18 2jts h GLN 19 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.75 2jts h GLN 19 CO 0.90 0.00 -0.66 0.41 -0.00 0.00 0.00 178.83 179.48 2jts n GLY 20 N -1.34 -0.41 3.76 0.06 0.00 -1.26 -4.95 105.19 101.05 2jts n GLY 20 Ca 0.01 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.45 1.56 -0.04 4.61 0.00 -0.56 -4.39 121.76 120.49 2jts s ALA 21 Ca 0.10 -0.52 -0.04 0.00 0.00 0.00 0.00 51.96 51.51 2jts s ALA 21 Cb 0.14 -3.04 0.01 0.00 0.00 0.00 0.00 23.12 20.23 2jts s ALA 21 CO 0.62 -2.45 0.11 0.96 0.00 0.00 0.00 175.76 175.00 2jts s ILE 22 N -3.21 -0.01 -0.30 0.00 -4.36 -1.24 -4.91 121.20 107.17 2jts s ILE 22 Ca 0.64 0.02 -0.29 0.00 -0.26 0.00 0.00 60.65 60.76 2jts s ILE 22 Cb -0.15 -0.16 0.01 0.00 1.25 0.00 0.00 42.46 43.40 2jts s ILE 22 CO 0.54 0.01 1.16 0.21 0.24 0.00 0.00 174.94 177.10 2jts s ASN 23 N 0.17 6.86 -0.37 4.36 3.84 -1.26 -0.96 114.94 127.59 2jts s ASN 23 Ca -0.01 1.16 0.01 0.00 0.21 0.00 0.00 52.86 54.24 2jts s ASN 23 Cb -0.02 -2.54 0.15 0.00 -0.55 0.00 0.00 41.25 38.29 2jts s ASN 23 CO -0.00 -0.92 0.26 -0.63 -2.79 0.00 0.00 177.10 173.02 2jts s ILE 24 N 3.83 0.15 0.73 -5.21 1.01 0.26 -4.96 121.20 117.01 2jts s ILE 24 Ca 0.49 -1.93 -0.16 0.00 0.00 0.00 0.00 60.65 59.05 2jts s ILE 24 Cb -0.14 -1.11 -0.00 0.00 0.01 0.00 0.00 42.46 41.21 2jts s ILE 24 CO 0.17 -1.03 0.84 -2.65 0.00 0.00 0.00 174.94 172.27 2jts n PRO 25 N 3.69 0.42 -0.28 2.79 -0.02 -1.25 -4.16 135.00 136.20 2jts n PRO 25 Ca 0.17 0.20 0.19 0.00 -2.02 0.00 0.00 63.50 62.04 2jts n PRO 25 Cb 0.41 -2.11 0.49 0.00 -0.02 0.00 0.00 33.50 32.27 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 -0.32 0.46 -1.44 2.45 5.85 -1.03 0.72 115.31 122.00 2jts h LEU 26 Ca -0.47 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.31 2jts h LEU 26 Cb 1.34 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.34 2jts h LEU 26 CO 0.45 0.16 0.00 0.11 -0.34 0.00 0.00 178.44 178.83 2jts h LYS 27 N 0.45 0.00 0.00 1.25 1.57 -1.90 -3.29 116.57 114.65 2jts h LYS 27 Ca 0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.29 2jts h LYS 27 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 2jts h LYS 27 CO -0.22 0.00 -0.61 0.39 -0.57 0.00 0.00 179.45 178.43 2jts n GLU 28 N -2.53 2.36 -0.35 3.15 1.02 0.07 -4.80 120.64 119.56 2jts n GLU 28 Ca -0.00 0.00 0.24 0.00 -0.02 0.00 0.00 57.16 57.38 2jts n GLU 28 Cb 0.15 -0.81 0.51 0.00 -0.02 0.00 0.00 31.44 31.28 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 0.44 -0.68 2.62 3.04 -1.13 -0.58 116.25 119.97 2jts h VAL 29 Ca 0.00 -0.13 0.14 0.00 -1.01 0.00 0.00 66.70 65.71 2jts h VAL 29 Cb 0.14 0.04 -0.04 0.00 -2.01 0.00 0.00 31.29 29.42 2jts h VAL 29 CO 0.00 0.07 0.46 0.50 -1.01 0.00 0.00 177.57 177.59 2jts h LYS 30 N 0.37 0.31 0.00 4.17 3.64 -1.87 -1.74 116.57 121.44 2jts h LYS 30 Ca 0.65 -0.02 -0.33 0.00 -1.27 0.00 0.00 60.65 59.68 2jts h LYS 30 Cb 1.65 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 33.35 2jts h LYS 30 CO -0.37 0.20 -2.18 0.39 -2.27 0.00 0.00 179.45 175.22 2jts n GLU 31 N -4.45 0.48 0.29 1.90 1.02 -0.32 -4.59 120.64 114.97 2jts n GLU 31 Ca 0.12 0.16 0.19 0.00 -0.02 0.00 0.00 57.16 57.61 2jts n GLU 31 Cb 0.52 -1.33 0.84 0.00 -0.02 0.00 0.00 31.44 31.45 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 -0.41 0.00 -0.75 3.49 -0.00 -1.24 -1.99 114.38 113.48 2jts h ARG 32 Ca -0.50 0.00 0.13 0.00 -0.50 0.00 0.00 59.98 59.11 2jts h ARG 32 Cb 1.58 0.00 -0.05 0.00 0.00 0.00 0.00 29.97 31.50 2jts h ARG 32 CO -0.21 0.00 0.50 0.97 0.00 0.00 0.00 179.97 181.23 2jts h ILE 33 N 0.00 0.85 -0.81 2.04 6.09 -1.56 -1.09 117.51 123.02 2jts h ILE 33 Ca 0.00 -0.18 -0.04 0.00 -1.37 0.00 0.00 64.86 63.27 2jts h ILE 33 Cb 0.34 0.29 -0.04 0.00 0.47 0.00 0.00 36.82 37.88 2jts h ILE 33 CO 0.00 0.09 0.35 0.00 -3.07 0.00 0.00 178.15 175.53 2jts h ALA 34 N 1.64 1.06 0.11 0.18 0.00 -1.60 0.16 119.26 120.79 2jts h ALA 34 Ca 0.36 -0.18 -0.27 0.00 0.00 0.00 0.00 54.91 54.82 2jts h ALA 34 Cb 0.70 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.19 2jts h ALA 34 CO -0.13 0.66 -1.19 1.79 0.00 0.00 0.00 179.25 180.38 2jts h THR 35 N 1.17 1.39 -0.18 0.00 1.35 -1.64 -3.22 112.91 111.78 2jts h THR 35 Ca 0.28 -2.69 -0.15 0.00 -0.55 0.00 0.00 66.41 63.29 2jts h THR 35 Cb 0.17 2.74 -0.01 0.00 -1.73 0.00 0.00 68.15 69.33 2jts h THR 35 CO -0.03 0.80 -0.53 0.00 -0.25 0.00 0.00 175.52 175.52 2jts h ALA 36 N 0.50 0.75 -2.35 6.62 0.00 -0.82 -3.39 119.26 120.56 2jts h ALA 36 Ca -0.15 -0.50 -0.59 0.00 0.00 0.00 0.00 54.91 53.67 2jts h ALA 36 Cb 1.87 -0.09 -0.38 0.00 0.00 0.00 0.00 17.79 19.19 2jts h ALA 36 CO 0.21 0.68 -0.98 0.28 0.00 0.00 0.00 179.25 179.44 2jts n VAL 37 N -3.96 -1.13 1.25 0.00 0.31 0.51 -5.02 118.33 110.29 2jts n VAL 37 Ca -0.03 -3.49 0.00 0.00 -0.01 0.00 0.00 64.34 60.82 2jts n VAL 37 Cb 0.59 -1.68 0.00 0.00 -0.91 0.00 0.00 33.84 31.84 2jts n VAL 37 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2jts n PRO 38 N 2.74 0.65 -3.64 5.55 -0.04 -1.22 -4.23 135.00 134.81 2jts n PRO 38 Ca 0.29 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.48 2jts n PRO 38 Cb 0.48 -1.02 -0.16 0.00 -0.04 0.00 0.00 33.50 32.75 2jts n PRO 38 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2jts s ASP 39 N -1.29 2.77 0.32 3.54 2.15 -1.26 -5.03 116.67 117.87 2jts s ASP 39 Ca 0.00 -0.83 0.23 0.00 0.43 0.00 0.00 52.55 52.39 2jts s ASP 39 Cb 0.00 -0.38 1.17 0.00 -0.30 0.00 0.00 42.92 43.41 2jts s ASP 39 CO 0.00 -0.36 1.71 0.07 -0.17 0.00 0.00 175.17 176.43 2jts h LYS 40 N 8.36 0.00 0.00 4.34 2.10 -1.94 -1.38 116.57 128.05 2jts h LYS 40 Ca -0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.49 2jts h LYS 40 Cb 1.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 2jts h LYS 40 CO 0.34 0.00 0.00 -0.97 -2.00 0.00 0.00 179.45 176.82 2jts h ASN 41 N 0.00 0.00 -4.09 7.07 -1.24 -1.94 -2.96 115.58 112.42 2jts h ASN 41 Ca 0.00 0.00 -0.51 0.00 0.71 0.00 0.00 56.30 56.50 2jts h ASN 41 Cb 0.12 0.00 0.09 0.00 0.73 0.00 0.00 38.32 39.26 2jts h ASN 41 CO 0.00 0.00 0.45 -0.62 -1.29 0.00 0.00 177.43 175.97 2jts s ASP 42 N -4.73 5.49 0.35 1.15 2.15 -0.52 -4.63 116.67 115.92 2jts s ASP 42 Ca 0.09 2.26 -0.27 0.00 0.43 0.00 0.00 52.55 55.06 2jts s ASP 42 Cb 0.11 -2.59 -0.09 0.00 -0.30 0.00 0.00 42.92 40.05 2jts s ASP 42 CO 0.58 -1.38 1.20 -0.89 -0.17 0.00 0.00 175.17 174.50 2jts s THR 43 N -1.72 3.09 0.02 1.71 2.01 -1.26 -4.45 115.64 115.04 2jts s THR 43 Ca 0.74 1.01 0.02 0.00 0.31 0.00 0.00 61.69 63.78 2jts s THR 43 Cb -0.26 -3.61 -0.01 0.00 0.01 0.00 0.00 72.50 68.62 2jts s THR 43 CO 0.30 0.18 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.65 2jts s VAL 44 N -1.27 0.49 -0.03 3.82 1.01 -0.36 -1.66 120.40 122.41 2jts s VAL 44 Ca 0.52 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.84 2jts s VAL 44 Cb -0.34 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.55 2jts s VAL 44 CO 0.44 -0.15 -0.11 -0.54 0.00 0.00 0.00 175.10 174.74 2jts s LYS 45 N -0.90 1.17 -0.04 2.72 1.02 -0.16 -1.28 119.74 122.27 2jts s LYS 45 Ca -0.04 -0.37 0.06 0.00 0.02 0.00 0.00 55.97 55.64 2jts s LYS 45 Cb -0.06 -1.07 -0.01 0.00 -0.52 0.00 0.00 37.83 36.17 2jts s LYS 45 CO 0.00 0.13 -0.23 0.14 -0.92 0.00 0.00 175.35 174.48 2jts s VAL 46 N 0.19 1.85 0.21 3.17 -7.23 -0.74 -0.87 120.40 116.98 2jts s VAL 46 Ca -0.04 -0.98 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 2jts s VAL 46 Cb -0.10 -1.56 -0.05 0.00 0.56 0.00 0.00 36.38 35.24 2jts s VAL 46 CO 0.01 0.52 0.09 -0.72 -0.31 0.00 0.00 175.10 174.69 2jts s TYR 47 N -0.31 1.30 0.22 2.82 1.13 -0.88 -0.90 117.35 120.73 2jts s TYR 47 Ca 0.02 -1.22 -0.04 0.00 -1.41 0.00 0.00 57.07 54.43 2jts s TYR 47 Cb -0.11 -0.72 0.02 0.00 -1.10 0.00 0.00 41.96 40.04 2jts s TYR 47 CO 0.01 -0.42 0.36 0.00 -2.51 0.00 0.00 175.55 172.99 2jts h ASN 49 N 1.20 0.00 0.00 0.00 -1.24 -1.94 0.18 115.58 113.78 2jts h ASN 49 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.83 2jts h ASN 49 Cb 0.73 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.78 2jts h ASN 49 CO 0.24 0.00 -0.01 0.00 -1.29 0.00 0.00 177.43 176.36 2jts n ALA 50 N -2.53 1.29 0.00 1.57 0.00 -1.26 -3.66 120.51 115.91 2jts n ALA 50 Ca -0.01 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.77 2jts n ALA 50 Cb 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.14 2.47 0.08 0.00 0.00 -1.24 -4.80 105.19 101.56 2jts n GLY 51 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.06 -0.10 -0.08 1.61 9.65 -1.92 -0.76 114.38 122.84 2jts h ARG 52 Ca 0.00 0.01 -0.11 0.00 -1.10 0.00 0.00 59.98 58.78 2jts h ARG 52 Cb 0.00 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.59 2jts h ARG 52 CO 0.00 0.04 -0.45 1.96 2.80 0.00 0.00 179.97 184.32 2jts h GLN 53 N -0.22 0.19 -0.38 0.20 1.08 -1.94 -0.21 115.11 113.83 2jts h GLN 53 Ca -0.01 -0.10 -0.09 0.00 -1.45 0.00 0.00 58.65 57.01 2jts h GLN 53 Cb 0.19 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 2jts h GLN 53 CO 0.02 0.61 -0.12 0.66 -0.95 0.00 0.00 178.83 179.04 2jts h SER 54 N 0.16 0.66 -0.08 1.46 4.64 -1.79 0.56 113.55 119.15 2jts h SER 54 Ca 0.01 -0.19 0.03 0.00 -0.47 0.00 0.00 61.79 61.17 2jts h SER 54 Cb 0.86 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 62.73 2jts h SER 54 CO 0.07 0.81 -0.15 1.23 -0.87 0.00 0.00 176.83 177.92 2jts h GLY 55 N 0.97 -0.12 0.94 -0.77 0.00 0.12 -0.22 103.07 103.98 2jts h GLY 55 Ca 0.11 0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.61 2jts h GLY 55 CO 0.04 -0.15 0.15 1.46 0.00 0.00 0.00 176.54 178.04 2jts h GLN 56 N -0.21 0.46 -0.40 4.80 4.20 -0.82 -2.51 115.11 120.63 2jts h GLN 56 Ca 0.08 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2jts h GLN 56 Cb 0.32 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 2jts h GLN 56 CO -0.21 0.43 0.20 0.00 -0.67 0.00 0.00 178.83 178.59 2jts h ALA 57 N 1.01 1.60 -0.53 3.87 0.00 -0.72 -1.09 119.26 123.39 2jts h ALA 57 Ca 0.11 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2jts h ALA 57 Cb 0.12 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2jts h ALA 57 CO -0.01 0.33 0.22 -0.22 0.00 0.00 0.00 179.25 179.57 2jts h LYS 58 N 0.56 0.79 -0.40 0.00 3.11 -0.61 -0.32 116.57 119.70 2jts h LYS 58 Ca 0.14 -0.14 -0.03 0.00 -2.81 0.00 0.00 60.65 57.81 2jts h LYS 58 Cb 0.05 -0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 31.13 2jts h LYS 58 CO -0.02 0.69 0.13 0.93 -2.81 0.00 0.00 179.45 178.36 2jts h GLU 59 N 0.72 0.61 -0.09 1.90 4.39 -1.03 -0.57 114.58 120.53 2jts h GLU 59 Ca 0.18 -0.13 0.04 0.00 0.34 0.00 0.00 59.36 59.79 2jts h GLU 59 Cb 0.18 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.70 2jts h GLU 59 CO -0.02 0.61 -0.18 0.82 -1.16 0.00 0.00 179.01 179.09 2jts h ILE 60 N 0.49 0.55 0.00 3.13 2.04 -0.90 -1.04 117.51 121.79 2jts h ILE 60 Ca 0.13 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.89 2jts h ILE 60 Cb 0.25 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 2jts h ILE 60 CO -0.00 0.00 -0.47 -0.07 0.00 0.00 0.00 178.15 177.61 2jts h LEU 61 N -0.25 0.00 -0.53 1.44 3.38 -0.90 -0.39 115.31 118.05 2jts h LEU 61 Ca 0.08 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 2jts h LEU 61 Cb 0.37 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2jts h LEU 61 CO -0.23 0.47 0.08 0.28 0.09 0.00 0.00 178.44 179.13 2jts h SER 62 N 0.00 0.85 -0.00 -0.43 0.02 -0.71 -1.13 113.55 112.14 2jts h SER 62 Ca -0.00 -0.26 -0.09 0.00 -0.84 0.00 0.00 61.79 60.59 2jts h SER 62 Cb 0.92 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 2jts h SER 62 CO 0.06 0.89 -0.26 -0.33 -1.14 0.00 0.00 176.83 176.06 2jts h GLU 63 N 0.77 0.41 0.00 3.45 5.08 -0.54 -1.05 114.58 122.69 2jts h GLU 63 Ca 0.16 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2jts h GLU 63 Cb 0.41 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2jts h GLU 63 CO 0.01 0.64 0.00 -1.33 -1.00 0.00 0.00 179.01 177.33 2jts n MET 64 N -4.13 0.06 -0.69 2.33 2.81 -0.22 -4.90 117.12 112.38 2jts n MET 64 Ca -0.01 0.23 0.00 0.00 -1.81 0.00 0.00 57.70 56.12 2jts n MET 64 Cb 0.40 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.41 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 -0.08 0.59 3.66 3.03 0.00 -0.40 -5.03 105.19 106.97 2jts n GLY 65 Ca 0.04 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 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 2.67 -0.53 1.61 1.51 -0.50 -4.86 117.35 115.26 2jts s TYR 66 Ca 0.00 0.82 0.24 0.00 -1.01 0.00 0.00 57.07 57.12 2jts s TYR 66 Cb 0.00 -3.61 0.38 0.00 -0.11 0.00 0.00 41.96 38.63 2jts s TYR 66 CO 0.00 -2.23 1.45 1.79 -1.11 0.00 0.00 175.55 175.44 2jts h THR 67 N 5.43 0.00 -0.47 -0.71 1.35 -1.83 -3.38 112.91 113.30 2jts h THR 67 Ca -0.31 -0.72 -0.32 0.00 -0.55 0.00 0.00 66.41 64.51 2jts h THR 67 Cb 1.13 1.49 -0.39 0.00 -1.73 0.00 0.00 68.15 68.65 2jts h THR 67 CO 0.95 0.00 -1.00 1.41 -0.25 0.00 0.00 175.52 176.64 2jts n HIS 68 N -2.52 1.55 -2.82 4.73 8.25 -1.26 -5.05 115.22 118.09 2jts n HIS 68 Ca 0.03 -2.00 -0.36 0.00 -0.26 0.00 0.00 57.72 55.13 2jts n HIS 68 Cb 0.48 -0.26 -0.07 0.00 1.12 0.00 0.00 29.99 31.27 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 -3.71 4.29 -0.02 1.59 1.01 -1.26 -1.22 120.40 121.08 2jts s VAL 69 Ca 0.35 1.68 -0.01 0.00 0.00 0.00 0.00 61.98 64.01 2jts s VAL 69 Cb 0.35 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.85 2jts s VAL 69 CO -0.03 0.03 0.04 -0.70 0.00 0.00 0.00 175.10 174.44 2jts s GLU 70 N -2.33 0.03 -0.47 2.72 2.12 -0.41 -4.92 118.70 115.44 2jts s GLU 70 Ca 0.52 0.09 -0.28 0.00 0.36 0.00 0.00 54.97 55.66 2jts s GLU 70 Cb -0.16 -0.03 -0.00 0.00 0.26 0.00 0.00 34.13 34.19 2jts s GLU 70 CO 0.21 -0.04 1.61 1.21 -0.54 0.00 0.00 175.26 177.71 2jts s ASN 71 N 0.25 5.95 0.21 -1.70 3.84 -1.26 -1.80 114.94 120.43 2jts s ASN 71 Ca -0.02 0.73 -0.03 0.00 0.21 0.00 0.00 52.86 53.74 2jts s ASN 71 Cb -0.03 -2.54 0.19 0.00 -0.55 0.00 0.00 41.25 38.33 2jts s ASN 71 CO -0.01 -1.77 1.60 0.00 -2.79 0.00 0.00 177.10 174.14 2jts h ALA 72 N 12.25 0.85 0.00 1.71 0.00 -1.37 -3.47 119.26 129.22 2jts h ALA 72 Ca -0.29 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.22 2jts h ALA 72 Cb 1.13 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2jts h ALA 72 CO 1.12 0.64 0.00 0.41 0.00 0.00 0.00 179.25 181.42 2jts n GLY 73 N -0.12 0.37 3.61 0.00 0.00 -1.25 -4.79 105.19 103.01 2jts n GLY 73 Ca -0.01 -1.32 -0.26 0.00 0.00 0.00 0.00 46.02 44.43 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 2.30 0.42 -0.02 0.00 -1.26 -3.85 107.32 104.92 2jts s GLY 74 Ca 0.00 -2.15 0.13 0.00 0.00 0.00 0.00 44.72 42.69 2jts s GLY 74 CO 0.00 -2.02 1.97 -2.00 0.00 0.00 0.00 173.10 171.05 2jts h LEU 75 N 1.84 0.42 -0.27 0.66 5.85 -0.70 0.17 115.31 123.27 2jts h LEU 75 Ca -0.43 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.30 2jts h LEU 75 Cb 1.25 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.20 2jts h LEU 75 CO 0.74 0.25 0.00 2.29 -0.34 0.00 0.00 178.44 181.38 2jts n LYS 76 N -4.48 0.06 -0.02 1.25 2.85 -1.26 -3.78 118.16 112.79 2jts n LYS 76 Ca 0.10 0.37 -0.02 0.00 -1.05 0.00 0.00 58.31 57.71 2jts n LYS 76 Cb 0.36 -1.62 -0.02 0.00 -0.65 0.00 0.00 35.03 33.10 2jts n LYS 76 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2jts n ASP 77 N -1.73 4.00 -4.70 -5.58 2.03 0.52 -4.93 116.55 106.16 2jts n ASP 77 Ca 0.02 -0.01 -0.42 0.00 0.52 0.00 0.00 54.79 54.90 2jts n ASP 77 Cb 0.14 0.26 -0.03 0.00 -0.72 0.00 0.00 41.12 40.78 2jts n ASP 77 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2jts s ILE 78 N -2.07 2.97 -0.14 5.18 1.09 -0.83 -4.89 121.20 122.51 2jts s ILE 78 Ca -0.03 0.55 0.15 0.00 -1.10 0.00 0.00 60.65 60.22 2jts s ILE 78 Cb 0.01 -3.36 0.32 0.00 -1.06 0.00 0.00 42.46 38.38 2jts s ILE 78 CO 0.10 0.02 1.16 0.00 -0.10 0.00 0.00 174.94 176.12 2jts n ALA 79 N 4.90 2.75 -1.29 9.38 0.00 -1.26 -4.92 120.51 130.07 2jts n ALA 79 Ca 0.15 -2.71 -0.30 0.00 0.00 0.00 0.00 53.44 50.58 2jts n ALA 79 Cb 0.40 -0.41 0.13 0.00 0.00 0.00 0.00 19.45 19.58 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 -2.54 1.40 0.59 0.00 -1.94 -1.26 -5.02 119.30 110.52 2jts s MET 80 Ca 0.31 0.75 -0.18 0.00 -1.71 0.00 0.00 55.69 54.86 2jts s MET 80 Cb 0.29 -1.83 -0.06 0.00 2.01 0.00 0.00 34.83 35.24 2jts s MET 80 CO -0.02 -2.12 0.76 -2.30 -0.01 0.00 0.00 175.02 171.32 2jts n PRO 81 N -3.79 0.70 -4.23 2.03 -0.02 -1.26 -4.91 135.00 123.52 2jts n PRO 81 Ca 0.07 0.27 -0.14 0.00 -2.02 0.00 0.00 63.50 61.68 2jts n PRO 81 Cb 0.56 -1.95 -0.10 0.00 -0.02 0.00 0.00 33.50 31.98 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 -2.46 1.00 0.31 -0.52 1.02 -1.26 -2.43 119.74 115.40 2jts s LYS 82 Ca 0.73 -1.36 0.04 0.00 0.02 0.00 0.00 55.97 55.40 2jts s LYS 82 Cb -0.43 -0.61 -0.06 0.00 -0.52 0.00 0.00 37.83 36.21 2jts s LYS 82 CO 0.50 0.08 0.04 0.08 -0.92 0.00 0.00 175.35 175.14 2jts s VAL 83 N -3.03 1.16 0.26 3.17 1.01 -0.28 -4.84 120.40 117.85 2jts s VAL 83 Ca 0.13 -2.01 0.03 0.00 0.00 0.00 0.00 61.98 60.13 2jts s VAL 83 Cb 0.01 -2.70 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 2jts s VAL 83 CO 0.00 -0.06 0.04 -0.54 0.00 0.00 0.00 175.10 174.54 2jts s LYS 84 N -3.89 1.41 0.00 2.72 1.02 -1.26 -0.52 119.74 119.22 2jts s LYS 84 Ca 0.35 -1.74 0.00 0.00 0.02 0.00 0.00 55.97 54.60 2jts s LYS 84 Cb 0.08 -0.54 0.00 0.00 -0.52 0.00 0.00 37.83 36.85 2jts s LYS 84 CO 0.14 -0.18 0.41 0.41 -0.92 0.00 0.00 175.35 175.21