#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 1.34 0.51 0.00 1.03 -1.26 -4.61 118.70 115.70 2jts s GLU 2 Ca 0.00 -0.53 -0.09 0.00 0.03 0.00 0.00 54.97 54.38 2jts s GLU 2 Cb 0.00 0.59 -0.05 0.00 -0.80 0.00 0.00 34.13 33.87 2jts s GLU 2 CO 0.00 -0.59 0.87 -1.01 -1.33 0.00 0.00 175.26 173.20 2jts s HIS 3 N -3.77 3.55 -0.07 4.83 3.76 -0.41 -4.95 115.29 118.23 2jts s HIS 3 Ca 0.02 1.06 -0.01 0.00 -0.15 0.00 0.00 55.06 55.98 2jts s HIS 3 Cb -0.02 -2.49 0.03 0.00 1.11 0.00 0.00 32.58 31.21 2jts s HIS 3 CO -0.11 -0.37 -0.03 -1.58 -0.85 0.00 0.00 174.74 171.81 2jts s TRP 4 N -2.78 0.86 -0.11 1.40 0.51 -1.26 -0.68 118.94 116.88 2jts s TRP 4 Ca 0.51 -0.30 0.02 0.00 -2.12 0.00 0.00 56.10 54.22 2jts s TRP 4 Cb -0.10 -0.87 0.01 0.00 -0.81 0.00 0.00 33.47 31.70 2jts s TRP 4 CO 0.43 -0.34 -0.18 0.42 -0.51 0.00 0.00 176.95 176.78 2jts s ILE 5 N 1.68 1.68 -0.30 2.03 -1.09 -0.30 -3.22 121.20 121.67 2jts s ILE 5 Ca 0.01 -0.76 -0.26 0.00 -2.23 0.00 0.00 60.65 57.42 2jts s ILE 5 Cb -0.13 -1.50 0.01 0.00 -1.58 0.00 0.00 42.46 39.25 2jts s ILE 5 CO -0.05 0.48 0.90 -0.62 -1.23 0.00 0.00 174.94 174.42 2jts s ASP 6 N 0.82 6.78 -0.59 3.58 -1.08 -0.26 -2.85 116.67 123.06 2jts s ASP 6 Ca -0.09 0.84 0.03 0.00 -0.52 0.00 0.00 52.55 52.81 2jts s ASP 6 Cb -0.16 -2.46 0.38 0.00 -1.46 0.00 0.00 42.92 39.23 2jts s ASP 6 CO 0.00 -0.70 1.32 1.33 0.52 0.00 0.00 175.17 177.64 2jts n VAL 7 N 5.62 3.01 -3.92 1.11 0.24 -0.77 -0.68 118.33 122.94 2jts n VAL 7 Ca 0.07 -5.00 0.00 0.00 -2.04 0.00 0.00 64.34 57.37 2jts n VAL 7 Cb 0.48 -1.31 0.00 0.00 -1.47 0.00 0.00 33.84 31.54 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 -0.42 0.00 -1.30 7.34 0.63 -1.26 -2.55 116.66 119.10 2jts n ARG 8 Ca 0.41 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.99 2jts n ARG 8 Cb 0.50 0.00 0.10 0.00 0.45 0.00 0.00 32.46 33.51 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 0.00 2.82 0.24 5.15 0.24 -1.26 -3.66 118.33 121.86 2jts n VAL 9 Ca 0.00 -0.32 0.17 0.00 -2.04 0.00 0.00 64.34 62.15 2jts n VAL 9 Cb 0.00 -1.21 0.75 0.00 -1.47 0.00 0.00 33.84 31.91 2jts n VAL 9 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 2jts h PRO 10 N -0.43 0.00 -0.02 7.34 0.11 -1.98 -2.95 132.00 134.07 2jts h PRO 10 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2jts h PRO 10 Cb 1.32 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.43 2jts h PRO 10 CO 0.47 0.00 0.02 0.93 -0.21 0.00 0.00 178.00 179.21 2jts h GLU 11 N 0.00 0.00 0.00 1.05 5.08 -1.99 0.11 114.58 118.84 2jts h GLU 11 Ca 0.08 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2jts h GLU 11 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2jts h GLU 11 CO -0.00 0.00 -0.02 -0.56 -1.00 0.00 0.00 179.01 177.43 2jts h GLN 12 N 0.00 0.01 -0.95 2.33 3.07 -1.84 -3.38 115.11 114.34 2jts h GLN 12 Ca 0.01 -0.01 0.08 0.00 0.09 0.00 0.00 58.65 58.81 2jts h GLN 12 Cb 0.05 0.00 -0.07 0.00 0.08 0.00 0.00 27.48 27.54 2jts h GLN 12 CO -0.00 0.93 0.60 -0.92 0.09 0.00 0.00 178.83 179.52 2jts h TYR 13 N -0.90 1.10 0.00 0.06 3.20 -1.24 -0.39 116.97 118.80 2jts h TYR 13 Ca -0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2jts h TYR 13 Cb 0.93 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.85 2jts h TYR 13 CO 0.25 0.53 0.00 1.04 -1.64 0.00 0.00 178.16 178.34 2jts n GLN 14 N -4.58 0.19 0.00 1.82 1.13 0.25 -0.79 117.38 115.40 2jts n GLN 14 Ca 0.15 0.15 0.00 0.00 -1.94 0.00 0.00 57.00 55.36 2jts n GLN 14 Cb 0.22 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.07 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 -1.24 1.48 -3.58 -1.09 10.64 -0.40 -4.42 117.38 118.77 2jts n GLN 15 Ca 0.06 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 55.09 2jts n GLN 15 Cb 0.08 -0.84 -0.06 0.00 -0.86 0.00 0.00 30.24 28.55 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 -1.69 0.78 0.04 2.61 -1.05 -0.29 -4.04 118.70 115.07 2jts s GLU 16 Ca 0.00 0.46 -0.09 0.00 -0.15 0.00 0.00 54.97 55.19 2jts s GLU 16 Cb 0.00 0.37 0.00 0.00 -0.44 0.00 0.00 34.13 34.07 2jts s GLU 16 CO 0.00 -0.19 0.20 -3.38 0.95 0.00 0.00 175.26 172.84 2jts s HIS 17 N -0.54 0.05 0.11 4.83 -3.43 0.11 -3.70 115.29 112.72 2jts s HIS 17 Ca -0.03 -0.28 -0.36 0.00 -0.80 0.00 0.00 55.06 53.59 2jts s HIS 17 Cb -0.02 -0.03 -0.17 0.00 -1.43 0.00 0.00 32.58 30.93 2jts s HIS 17 CO 0.03 -0.43 1.28 0.28 -2.00 0.00 0.00 174.74 173.89 2jts n VAL 18 N 0.67 0.25 -0.28 -5.38 0.31 -1.26 -2.01 118.33 110.64 2jts n VAL 18 Ca -0.19 -0.06 0.17 0.00 -0.01 0.00 0.00 64.34 64.25 2jts n VAL 18 Cb 0.59 -0.79 0.45 0.00 -0.91 0.00 0.00 33.84 33.18 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 4.17 0.52 -0.08 5.55 -0.00 -1.55 0.15 115.11 123.86 2jts h GLN 19 Ca -0.47 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.15 2jts h GLN 19 Cb 1.34 -0.12 0.00 0.00 0.00 0.00 0.00 27.48 28.71 2jts h GLN 19 CO 0.75 0.34 0.00 0.41 0.00 0.00 0.00 178.83 180.33 2jts n GLY 20 N -1.46 0.06 3.79 2.39 0.00 -1.26 -4.95 105.19 103.77 2jts n GLY 20 Ca 0.20 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.90 2.53 -0.03 4.61 0.00 0.04 -4.65 121.76 122.36 2jts s ALA 21 Ca 0.35 0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.64 2jts s ALA 21 Cb 0.19 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 20.07 2jts s ALA 21 CO 0.30 -1.29 -0.10 0.96 0.00 0.00 0.00 175.76 175.64 2jts s ILE 22 N -2.72 0.85 -0.21 0.00 -4.36 -1.20 -4.93 121.20 108.63 2jts s ILE 22 Ca 0.62 -0.38 -0.28 0.00 -0.26 0.00 0.00 60.65 60.35 2jts s ILE 22 Cb -0.17 -0.77 0.00 0.00 1.25 0.00 0.00 42.46 42.78 2jts s ILE 22 CO 0.48 0.27 0.99 0.21 0.24 0.00 0.00 174.94 177.13 2jts s ASN 23 N 0.31 7.06 -0.33 4.36 3.84 -1.26 -1.11 114.94 127.82 2jts s ASN 23 Ca -0.05 1.32 -0.00 0.00 0.21 0.00 0.00 52.86 54.34 2jts s ASN 23 Cb -0.10 -2.52 0.13 0.00 -0.55 0.00 0.00 41.25 38.21 2jts s ASN 23 CO 0.01 -0.60 0.26 -0.63 -2.79 0.00 0.00 177.10 173.35 2jts s ILE 24 N 2.93 -0.15 0.63 -5.21 1.01 0.15 -4.97 121.20 115.59 2jts s ILE 24 Ca 0.43 -1.04 -0.17 0.00 0.00 0.00 0.00 60.65 59.86 2jts s ILE 24 Cb -0.16 -0.94 -0.06 0.00 0.01 0.00 0.00 42.46 41.31 2jts s ILE 24 CO 0.08 -0.71 0.59 -2.65 0.00 0.00 0.00 174.94 172.25 2jts n PRO 25 N 4.64 0.49 -0.19 2.79 -0.02 -1.24 -4.16 135.00 137.31 2jts n PRO 25 Ca 0.05 0.20 -0.02 0.00 -2.02 0.00 0.00 63.50 61.71 2jts n PRO 25 Cb 0.42 -1.81 0.05 0.00 -0.02 0.00 0.00 33.50 32.14 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 0.06 -0.54 0.00 2.45 7.12 -1.73 0.72 115.31 123.39 2jts h LEU 26 Ca -0.46 0.17 0.00 0.00 0.13 0.00 0.00 57.88 57.72 2jts h LEU 26 Cb 1.38 0.36 0.00 0.00 -0.53 0.00 0.00 40.66 41.87 2jts h LEU 26 CO 0.46 -0.19 0.00 0.29 -0.13 0.00 0.00 178.44 178.87 2jts n LYS 27 N -5.40 0.26 0.00 1.25 5.02 -1.26 -3.45 118.16 114.57 2jts n LYS 27 Ca 0.06 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 2jts n LYS 27 Cb 0.30 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 2jts n LYS 27 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2jts n GLU 28 N -1.28 1.68 -0.04 1.97 -0.58 0.06 -4.75 120.64 117.69 2jts n GLU 28 Ca 0.08 0.00 0.16 0.00 -0.42 0.00 0.00 57.16 56.99 2jts n GLU 28 Cb 0.14 -0.85 0.60 0.00 -0.57 0.00 0.00 31.44 30.76 2jts n GLU 28 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 2jts h VAL 29 N 0.00 0.81 -0.98 2.62 3.04 -1.06 -2.74 116.25 117.93 2jts h VAL 29 Ca 0.00 -0.07 0.15 0.00 -1.01 0.00 0.00 66.70 65.78 2jts h VAL 29 Cb 0.00 0.59 -0.10 0.00 -2.01 0.00 0.00 31.29 29.77 2jts h VAL 29 CO 0.00 0.04 0.59 0.50 -1.01 0.00 0.00 177.57 177.69 2jts h LYS 30 N 0.20 0.81 0.05 4.17 3.64 -1.85 -2.04 116.57 121.55 2jts h LYS 30 Ca 0.27 -0.05 -0.29 0.00 -1.27 0.00 0.00 60.65 59.31 2jts h LYS 30 Cb 0.80 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.41 2jts h LYS 30 CO -0.05 0.53 -1.59 0.39 -2.27 0.00 0.00 179.45 176.47 2jts n GLU 31 N -4.73 0.64 0.26 1.90 1.02 -1.04 -4.42 120.64 114.27 2jts n GLU 31 Ca 0.20 0.44 0.15 0.00 -0.02 0.00 0.00 57.16 57.94 2jts n GLU 31 Cb 0.46 -1.73 0.52 0.00 -0.02 0.00 0.00 31.44 30.68 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 -0.57 0.00 -0.65 3.49 -0.00 -1.51 -2.50 114.38 112.64 2jts h ARG 32 Ca -0.39 0.00 0.12 0.00 -0.50 0.00 0.00 59.98 59.21 2jts h ARG 32 Cb 1.61 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 31.54 2jts h ARG 32 CO -0.10 0.02 0.44 0.97 0.00 0.00 0.00 179.97 181.30 2jts h ILE 33 N 0.00 0.85 0.00 2.04 6.09 -1.58 -0.10 117.51 124.81 2jts h ILE 33 Ca -0.00 -0.13 0.00 0.00 -1.37 0.00 0.00 64.86 63.36 2jts h ILE 33 Cb 0.67 0.43 0.00 0.00 0.47 0.00 0.00 36.82 38.39 2jts h ILE 33 CO 0.00 0.07 0.00 0.00 -3.07 0.00 0.00 178.15 175.15 2jts h ALA 34 N 1.68 1.00 0.00 0.18 0.00 -1.68 0.81 119.26 121.25 2jts h ALA 34 Ca 0.31 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 2jts h ALA 34 Cb 0.68 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2jts h ALA 34 CO -0.09 0.00 -1.22 0.25 0.00 0.00 0.00 179.25 178.20 2jts n THR 35 N -2.61 0.21 -0.02 0.00 -2.24 -0.68 -3.99 114.28 104.95 2jts n THR 35 Ca -0.01 -0.13 -0.10 0.00 -2.27 0.00 0.00 64.05 61.53 2jts n THR 35 Cb 0.11 -0.82 0.04 0.00 -2.10 0.00 0.00 70.33 67.56 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 0.17 0.66 -2.11 6.98 0.00 -0.85 -3.39 119.26 120.73 2jts h ALA 36 Ca -0.08 -0.50 -0.56 0.00 0.00 0.00 0.00 54.91 53.76 2jts h ALA 36 Cb 1.13 -0.09 -0.38 0.00 0.00 0.00 0.00 17.79 18.45 2jts h ALA 36 CO 0.00 0.68 -1.04 0.28 0.00 0.00 0.00 179.25 179.18 2jts n VAL 37 N -3.98 -0.91 0.19 0.00 0.31 0.26 -5.01 118.33 109.20 2jts n VAL 37 Ca -0.03 -3.69 0.04 0.00 -0.01 0.00 0.00 64.34 60.64 2jts n VAL 37 Cb 0.60 -1.74 0.40 0.00 -0.91 0.00 0.00 33.84 32.18 2jts n VAL 37 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2jts h PRO 38 N 4.70 0.00 -6.23 5.55 0.13 -1.70 -3.36 132.00 131.10 2jts h PRO 38 Ca 0.15 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.72 2jts h PRO 38 Cb 0.90 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.94 2jts h PRO 38 CO 0.41 0.34 1.27 0.34 -0.23 0.00 0.00 178.00 180.13 2jts s ASP 39 N -6.86 6.29 0.04 1.44 2.15 -1.26 -4.88 116.67 113.59 2jts s ASP 39 Ca -0.03 -0.91 0.06 0.00 0.43 0.00 0.00 52.55 52.10 2jts s ASP 39 Cb 0.14 -2.56 0.28 0.00 -0.30 0.00 0.00 42.92 40.48 2jts s ASP 39 CO 0.71 -1.71 1.19 2.29 -0.17 0.00 0.00 175.17 177.48 2jts n LYS 40 N 9.14 0.02 0.20 4.34 -0.00 -1.26 -1.38 118.16 129.21 2jts n LYS 40 Ca 0.18 0.46 0.12 0.00 -0.00 0.00 0.00 58.31 59.07 2jts n LYS 40 Cb 0.50 -1.56 0.14 0.00 -0.00 0.00 0.00 35.03 34.11 2jts n LYS 40 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.40 176.43 2jts h ASN 41 N 0.00 0.00 -4.01 -5.58 -1.24 -1.91 -2.23 115.58 100.61 2jts h ASN 41 Ca 0.00 -0.00 -0.52 0.00 0.71 0.00 0.00 56.30 56.49 2jts h ASN 41 Cb 0.07 0.00 0.08 0.00 0.73 0.00 0.00 38.32 39.20 2jts h ASN 41 CO 0.00 0.00 0.52 -0.62 -1.29 0.00 0.00 177.43 176.04 2jts s ASP 42 N -6.02 5.97 0.44 1.15 2.15 -0.48 -4.40 116.67 115.47 2jts s ASP 42 Ca 0.06 2.43 -0.23 0.00 0.43 0.00 0.00 52.55 55.23 2jts s ASP 42 Cb 0.06 -2.61 -0.08 0.00 -0.30 0.00 0.00 42.92 39.99 2jts s ASP 42 CO 0.69 -1.06 1.15 -0.89 -0.17 0.00 0.00 175.17 174.89 2jts s THR 43 N -1.48 3.21 0.00 1.71 2.01 -1.26 -4.51 115.64 115.32 2jts s THR 43 Ca 0.65 0.93 0.02 0.00 0.31 0.00 0.00 61.69 63.59 2jts s THR 43 Cb -0.32 -3.48 -0.01 0.00 0.01 0.00 0.00 72.50 68.71 2jts s THR 43 CO 0.38 0.01 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.57 2jts s VAL 44 N -1.54 0.43 0.03 3.82 1.01 -0.88 -1.29 120.40 121.98 2jts s VAL 44 Ca 0.62 -0.38 0.07 0.00 0.00 0.00 0.00 61.98 62.29 2jts s VAL 44 Cb -0.28 -0.39 -0.03 0.00 0.00 0.00 0.00 36.38 35.68 2jts s VAL 44 CO 0.34 0.02 -0.20 -0.54 0.00 0.00 0.00 175.10 174.72 2jts s LYS 45 N -0.39 2.07 0.02 2.72 1.02 0.14 -1.30 119.74 124.01 2jts s LYS 45 Ca -0.00 -0.97 0.03 0.00 0.02 0.00 0.00 55.97 55.05 2jts s LYS 45 Cb -0.03 -2.15 -0.02 0.00 -0.52 0.00 0.00 37.83 35.11 2jts s LYS 45 CO -0.00 0.55 -0.10 0.14 -0.92 0.00 0.00 175.35 175.01 2jts s VAL 46 N -0.85 0.81 -0.06 3.17 -7.23 -1.10 -1.15 120.40 113.98 2jts s VAL 46 Ca 0.13 -0.76 -0.27 0.00 -1.81 0.00 0.00 61.98 59.28 2jts s VAL 46 Cb -0.10 -0.74 0.06 0.00 0.56 0.00 0.00 36.38 36.16 2jts s VAL 46 CO 0.04 -0.01 0.60 -0.72 -0.31 0.00 0.00 175.10 174.70 2jts s TYR 47 N -0.70 -0.56 0.30 2.82 -0.85 -1.13 -1.87 117.35 115.36 2jts s TYR 47 Ca -0.00 1.00 -0.06 0.00 -0.52 0.00 0.00 57.07 57.48 2jts s TYR 47 Cb -0.06 0.33 -0.00 0.00 0.38 0.00 0.00 41.96 42.60 2jts s TYR 47 CO 0.00 -0.54 0.45 0.00 -1.52 0.00 0.00 175.55 173.95 2jts h ASN 49 N 2.21 0.00 -3.92 0.00 -0.73 -1.94 0.14 115.58 111.34 2jts h ASN 49 Ca -0.28 0.00 -0.28 0.00 1.87 0.00 0.00 56.30 57.60 2jts h ASN 49 Cb 1.24 0.00 -0.28 0.00 0.27 0.00 0.00 38.32 39.56 2jts h ASN 49 CO 0.39 0.00 -0.74 0.00 -0.37 0.00 0.00 177.43 176.71 2jts s ALA 50 N -4.60 0.26 0.47 1.57 0.00 -1.26 -4.72 121.76 113.48 2jts s ALA 50 Ca -0.05 -0.18 0.18 0.00 0.00 0.00 0.00 51.96 51.91 2jts s ALA 50 Cb 0.15 -0.05 1.17 0.00 0.00 0.00 0.00 23.12 24.39 2jts s ALA 50 CO 0.53 0.05 2.05 0.78 0.00 0.00 0.00 175.76 179.17 2jts h GLY 51 N 5.95 0.00 0.56 0.00 0.00 -1.84 -0.87 103.07 106.87 2jts h GLY 51 Ca -0.27 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.13 2jts h GLY 51 CO 0.50 0.00 0.22 -0.09 0.00 0.00 0.00 176.54 177.16 2jts h ARG 52 N 0.00 0.40 -0.18 4.80 9.65 -1.96 0.66 114.38 127.75 2jts h ARG 52 Ca -0.00 -0.02 -0.17 0.00 -1.10 0.00 0.00 59.98 58.68 2jts h ARG 52 Cb 0.25 -0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 28.74 2jts h ARG 52 CO 0.02 0.27 -0.61 1.96 2.80 0.00 0.00 179.97 184.41 2jts h GLN 53 N 0.41 0.60 -0.61 0.20 1.08 -1.56 0.13 115.11 115.35 2jts h GLN 53 Ca 0.25 -0.41 0.05 0.00 -1.45 0.00 0.00 58.65 57.10 2jts h GLN 53 Cb 0.25 0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.68 2jts h GLN 53 CO -0.23 1.02 0.33 0.77 -0.95 0.00 0.00 178.83 179.77 2jts h SER 54 N 0.45 0.49 -0.70 1.46 0.02 -1.24 -1.12 113.55 112.90 2jts h SER 54 Ca -0.00 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 60.98 2jts h SER 54 Cb 1.17 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.61 2jts h SER 54 CO 0.12 0.32 0.47 1.23 -1.14 0.00 0.00 176.83 177.82 2jts h GLY 55 N 0.62 0.99 0.99 -3.77 0.00 -0.26 -1.55 103.07 100.09 2jts h GLY 55 Ca 0.27 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 2jts h GLY 55 CO -0.17 0.36 0.31 1.46 0.00 0.00 0.00 176.54 178.50 2jts h GLN 56 N 0.95 0.87 -0.50 4.80 4.20 -0.20 -0.80 115.11 124.43 2jts h GLN 56 Ca 0.26 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 2jts h GLN 56 Cb -0.11 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.48 2jts h GLN 56 CO -0.06 0.69 0.27 0.00 -0.67 0.00 0.00 178.83 179.06 2jts h ALA 57 N 1.14 1.53 -0.31 3.87 0.00 -0.85 0.48 119.26 125.12 2jts h ALA 57 Ca 0.21 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2jts h ALA 57 Cb 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2jts h ALA 57 CO -0.03 0.39 0.10 -0.22 0.00 0.00 0.00 179.25 179.49 2jts h LYS 58 N 0.70 0.49 -0.77 0.00 3.11 -0.35 -0.75 116.57 118.99 2jts h LYS 58 Ca 0.18 -0.11 -0.04 0.00 -2.81 0.00 0.00 60.65 57.87 2jts h LYS 58 Cb 0.03 -0.07 -0.03 0.00 -1.00 0.00 0.00 32.23 31.15 2jts h LYS 58 CO -0.03 0.53 0.32 0.93 -2.81 0.00 0.00 179.45 178.39 2jts h GLU 59 N 0.35 1.14 -0.19 1.90 5.08 -0.55 -0.24 114.58 122.08 2jts h GLU 59 Ca 0.10 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2jts h GLU 59 Cb 0.25 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2jts h GLU 59 CO -0.00 0.92 0.12 0.82 -1.00 0.00 0.00 179.01 179.87 2jts h ILE 60 N 1.12 1.07 0.00 3.13 2.04 -0.63 0.23 117.51 124.47 2jts h ILE 60 Ca 0.26 -0.16 -0.10 0.00 1.00 0.00 0.00 64.86 65.86 2jts h ILE 60 Cb 0.20 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 2jts h ILE 60 CO -0.02 0.07 -0.45 -0.07 0.00 0.00 0.00 178.15 177.67 2jts h LEU 61 N 0.24 0.00 -0.67 1.44 3.38 -0.87 -1.09 115.31 117.74 2jts h LEU 61 Ca 0.07 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 2jts h LEU 61 Cb 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2jts h LEU 61 CO -0.01 0.45 -0.14 0.28 0.09 0.00 0.00 178.44 179.11 2jts h SER 62 N 0.00 0.90 -0.47 -0.43 0.02 -0.67 -1.65 113.55 111.25 2jts h SER 62 Ca -0.00 -0.30 -0.07 0.00 -0.84 0.00 0.00 61.79 60.58 2jts h SER 62 Cb 0.85 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 2jts h SER 62 CO 0.06 1.03 0.03 -0.08 -1.14 0.00 0.00 176.83 176.74 2jts h GLU 63 N 0.80 0.88 0.00 3.45 4.81 -0.40 -0.73 114.58 123.39 2jts h GLU 63 Ca 0.12 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2jts h GLU 63 Cb 0.67 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.94 2jts h GLU 63 CO 0.05 0.85 0.00 -1.33 -0.73 0.00 0.00 179.01 177.85 2jts n MET 64 N -4.22 0.32 -1.45 1.92 2.81 -0.46 -4.89 117.12 111.14 2jts n MET 64 Ca 0.03 0.09 -0.06 0.00 -1.81 0.00 0.00 57.70 55.95 2jts n MET 64 Cb 0.29 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.28 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 0.03 0.63 3.68 3.03 0.00 -0.28 -4.99 105.19 107.30 2jts n GLY 65 Ca 0.09 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.25 2.34 0.37 1.61 1.51 -0.68 -4.89 117.35 115.36 2jts s TYR 66 Ca 0.00 0.31 0.20 0.00 -1.01 0.00 0.00 57.07 56.56 2jts s TYR 66 Cb 0.00 -3.95 1.05 0.00 -0.11 0.00 0.00 41.96 38.95 2jts s TYR 66 CO 0.00 -3.83 1.94 1.15 -1.11 0.00 0.00 175.55 173.70 2jts h THR 67 N 4.97 0.90 -3.02 -0.71 2.02 -1.67 -3.41 112.91 111.99 2jts h THR 67 Ca -0.42 -0.91 -0.48 0.00 0.77 0.00 0.00 66.41 65.37 2jts h THR 67 Cb 1.20 1.53 -0.41 0.00 -1.74 0.00 0.00 68.15 68.73 2jts h THR 67 CO 0.93 0.23 -0.76 -1.00 0.37 0.00 0.00 175.52 175.30 2jts s HIS 68 N -4.17 0.34 -0.01 3.16 3.76 -1.26 -5.10 115.29 112.00 2jts s HIS 68 Ca -0.03 -0.52 -0.03 0.00 -0.15 0.00 0.00 55.06 54.34 2jts s HIS 68 Cb 0.14 -0.79 -0.00 0.00 1.11 0.00 0.00 32.58 33.03 2jts s HIS 68 CO 0.66 -0.60 0.06 0.08 -0.85 0.00 0.00 174.74 174.09 2jts s VAL 69 N 2.09 0.04 -0.05 -0.90 1.01 -1.26 -2.07 120.40 119.26 2jts s VAL 69 Ca 0.03 -0.34 -0.00 0.00 0.00 0.00 0.00 61.98 61.67 2jts s VAL 69 Cb -0.16 -0.20 0.03 0.00 0.00 0.00 0.00 36.38 36.04 2jts s VAL 69 CO -0.15 -0.19 -0.01 -0.70 0.00 0.00 0.00 175.10 174.05 2jts s GLU 70 N -0.57 0.57 -0.39 2.72 2.12 -0.42 -4.95 118.70 117.78 2jts s GLU 70 Ca -0.06 0.04 -0.28 0.00 0.36 0.00 0.00 54.97 55.02 2jts s GLU 70 Cb -0.04 -0.78 -0.01 0.00 0.26 0.00 0.00 34.13 33.56 2jts s GLU 70 CO 0.00 -0.19 1.64 1.21 -0.54 0.00 0.00 175.26 177.38 2jts s ASN 71 N 1.38 6.04 0.32 -1.70 2.47 -1.26 -2.69 114.94 119.50 2jts s ASN 71 Ca -0.04 1.02 0.17 0.00 0.42 0.00 0.00 52.86 54.43 2jts s ASN 71 Cb -0.13 -2.53 0.33 0.00 -1.45 0.00 0.00 41.25 37.47 2jts s ASN 71 CO -0.02 -1.64 1.57 0.00 -3.72 0.00 0.00 177.10 173.28 2jts h ALA 72 N 12.07 0.80 0.00 1.71 0.00 -1.73 -3.48 119.26 128.62 2jts h ALA 72 Ca -0.31 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2jts h ALA 72 Cb 1.14 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2jts h ALA 72 CO 1.07 0.54 0.00 0.41 0.00 0.00 0.00 179.25 181.27 2jts n GLY 73 N 0.84 0.76 3.86 0.00 0.00 -1.25 -4.83 105.19 104.57 2jts n GLY 73 Ca 0.01 -2.04 -0.31 0.00 0.00 0.00 0.00 46.02 43.68 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 1.84 0.23 -0.02 0.00 -1.26 -3.89 107.32 104.21 2jts s GLY 74 Ca 0.00 0.02 -0.07 0.00 0.00 0.00 0.00 44.72 44.66 2jts s GLY 74 CO 0.00 0.29 1.87 -2.00 0.00 0.00 0.00 173.10 173.26 2jts h LEU 75 N 0.24 0.87 -1.28 0.66 5.85 -1.00 -0.50 115.31 120.15 2jts h LEU 75 Ca -0.45 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.19 2jts h LEU 75 Cb 1.19 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 2jts h LEU 75 CO 0.62 0.59 -0.36 0.11 -0.34 0.00 0.00 178.44 179.06 2jts h LYS 76 N 1.02 0.00 0.22 1.25 1.79 -1.87 -3.21 116.57 115.77 2jts h LYS 76 Ca 0.33 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.48 2jts h LYS 76 Cb 0.03 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 30.72 2jts h LYS 76 CO -0.12 0.36 -1.42 0.22 -1.08 0.00 0.00 179.45 177.41 2jts h ASP 77 N 0.00 0.86 -3.67 0.86 3.58 -1.63 -3.45 116.42 112.97 2jts h ASP 77 Ca -0.00 -0.88 -0.53 0.00 0.42 0.00 0.00 57.03 56.03 2jts h ASP 77 Cb 0.64 -0.28 0.08 0.00 1.72 0.00 0.00 39.33 41.49 2jts h ASP 77 CO 0.05 1.69 0.77 -0.63 -2.88 0.00 0.00 179.24 178.23 2jts s ILE 78 N -2.71 2.34 -0.25 2.25 1.01 -0.31 -4.93 121.20 118.60 2jts s ILE 78 Ca -0.09 0.31 0.13 0.00 0.00 0.00 0.00 60.65 61.00 2jts s ILE 78 Cb 0.04 -3.20 0.59 0.00 0.01 0.00 0.00 42.46 39.91 2jts s ILE 78 CO 0.94 0.06 1.56 0.00 0.00 0.00 0.00 174.94 177.50 2jts n ALA 79 N 1.34 3.82 -1.63 9.38 0.00 -1.26 -4.96 120.51 127.19 2jts n ALA 79 Ca 0.04 -2.53 -0.33 0.00 0.00 0.00 0.00 53.44 50.61 2jts n ALA 79 Cb 0.40 -0.89 0.02 0.00 0.00 0.00 0.00 19.45 18.98 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 -2.99 3.20 0.68 0.00 -1.94 -1.26 -5.04 119.30 111.95 2jts s MET 80 Ca 0.47 1.28 -0.17 0.00 -1.71 0.00 0.00 55.69 55.56 2jts s MET 80 Cb 0.39 -2.01 -0.04 0.00 2.01 0.00 0.00 34.83 35.18 2jts s MET 80 CO 0.08 -0.92 0.71 -2.30 -0.01 0.00 0.00 175.02 172.58 2jts n PRO 81 N -2.06 0.48 -4.01 2.03 -0.02 -1.26 -4.87 135.00 125.28 2jts n PRO 81 Ca 0.09 0.20 -0.08 0.00 -2.02 0.00 0.00 63.50 61.69 2jts n PRO 81 Cb 0.52 -1.96 -0.11 0.00 -0.02 0.00 0.00 33.50 31.94 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 -2.80 0.40 0.06 -0.52 1.02 -1.26 -1.35 119.74 115.30 2jts s LYS 82 Ca 0.70 -0.78 -0.05 0.00 0.02 0.00 0.00 55.97 55.86 2jts s LYS 82 Cb -0.37 0.14 -0.02 0.00 -0.52 0.00 0.00 37.83 37.06 2jts s LYS 82 CO 0.54 -0.07 0.08 0.14 -0.92 0.00 0.00 175.35 175.11 2jts s VAL 83 N -2.18 0.17 0.58 3.17 -7.23 -0.85 -4.89 120.40 109.17 2jts s VAL 83 Ca -0.09 -1.37 -0.16 0.00 -1.81 0.00 0.00 61.98 58.54 2jts s VAL 83 Cb -0.05 -1.24 -0.04 0.00 0.56 0.00 0.00 36.38 35.61 2jts s VAL 83 CO -0.04 -0.76 1.05 -1.59 -0.31 0.00 0.00 175.10 173.46 2jts s LYS 84 N -3.44 3.41 0.00 4.82 -2.85 -1.26 -0.71 119.74 119.72 2jts s LYS 84 Ca 0.02 1.21 0.00 0.00 -1.00 0.00 0.00 55.97 56.20 2jts s LYS 84 Cb 0.04 -2.05 0.00 0.00 -2.06 0.00 0.00 37.83 33.76 2jts s LYS 84 CO -0.08 -0.73 0.39 0.41 0.10 0.00 0.00 175.35 175.43