#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 0.30 0.07 0.00 2.02 -1.26 -3.36 118.70 116.47 2jts s GLU 2 Ca 0.00 -0.50 0.01 0.00 0.02 0.00 0.00 54.97 54.50 2jts s GLU 2 Cb 0.00 0.11 -0.04 0.00 0.10 0.00 0.00 34.13 34.31 2jts s GLU 2 CO 0.00 -0.05 -0.06 -1.01 0.02 0.00 0.00 175.26 174.16 2jts s HIS 3 N -1.27 0.68 -0.02 1.61 3.76 -0.64 -4.97 115.29 114.45 2jts s HIS 3 Ca -0.14 -0.82 0.04 0.00 -0.15 0.00 0.00 55.06 54.00 2jts s HIS 3 Cb -0.08 -0.42 -0.01 0.00 1.11 0.00 0.00 32.58 33.17 2jts s HIS 3 CO -0.00 -0.19 -0.14 -1.58 -0.85 0.00 0.00 174.74 171.97 2jts s TRP 4 N -2.95 1.30 -0.10 1.40 0.51 -1.26 -0.97 118.94 116.87 2jts s TRP 4 Ca 0.03 -0.27 -0.00 0.00 -2.12 0.00 0.00 56.10 53.74 2jts s TRP 4 Cb 0.01 -0.85 0.02 0.00 -0.81 0.00 0.00 33.47 31.85 2jts s TRP 4 CO -0.04 -0.04 -0.06 0.42 -0.51 0.00 0.00 176.95 176.71 2jts s ILE 5 N -0.26 0.88 -0.47 2.03 -1.09 -0.13 -2.86 121.20 119.30 2jts s ILE 5 Ca 0.04 -0.21 -0.28 0.00 -2.23 0.00 0.00 60.65 57.97 2jts s ILE 5 Cb -0.06 -0.92 0.03 0.00 -1.58 0.00 0.00 42.46 39.93 2jts s ILE 5 CO -0.00 0.34 1.08 -0.62 -1.23 0.00 0.00 174.94 174.51 2jts s ASP 6 N 1.65 6.61 -0.26 3.58 2.15 -0.23 -2.58 116.67 127.59 2jts s ASP 6 Ca 0.03 0.41 0.12 0.00 0.43 0.00 0.00 52.55 53.54 2jts s ASP 6 Cb -0.13 -2.52 0.77 0.00 -0.30 0.00 0.00 42.92 40.74 2jts s ASP 6 CO -0.06 -1.18 1.73 1.33 -0.17 0.00 0.00 175.17 176.81 2jts n VAL 7 N 6.69 2.73 -3.67 1.11 0.24 -0.93 -0.58 118.33 123.93 2jts n VAL 7 Ca 0.10 -1.42 -0.06 0.00 -2.04 0.00 0.00 64.34 60.92 2jts n VAL 7 Cb 0.49 -0.32 -0.00 0.00 -1.47 0.00 0.00 33.84 32.54 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 0.36 1.36 -1.83 7.34 0.63 -1.26 -0.66 116.66 122.59 2jts n ARG 8 Ca 0.31 -0.81 -0.34 0.00 -0.92 0.00 0.00 57.85 56.09 2jts n ARG 8 Cb 1.23 0.11 0.05 0.00 0.45 0.00 0.00 32.46 34.30 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 -0.73 2.83 0.62 5.15 -7.23 -1.26 -4.09 120.40 115.69 2jts s VAL 9 Ca 0.06 0.45 0.28 0.00 -1.81 0.00 0.00 61.98 60.96 2jts s VAL 9 Cb -0.00 -3.05 0.28 0.00 0.56 0.00 0.00 36.38 34.16 2jts s VAL 9 CO 0.04 -0.18 1.84 -0.65 -0.31 0.00 0.00 175.10 175.84 2jts h PRO 10 N 0.38 0.00 -0.05 4.82 0.11 -1.98 -2.60 132.00 132.68 2jts h PRO 10 Ca -0.49 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.64 2jts h PRO 10 Cb 1.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 2jts h PRO 10 CO 0.54 0.00 0.04 0.93 -0.21 0.00 0.00 178.00 179.30 2jts h GLU 11 N 0.00 0.00 0.03 1.05 5.08 -2.01 -0.05 114.58 118.69 2jts h GLU 11 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 2jts h GLU 11 Cb 0.71 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.97 2jts h GLU 11 CO 0.00 0.00 -0.43 -0.56 -1.00 0.00 0.00 179.01 177.02 2jts h GLN 12 N 0.00 0.23 -0.94 2.33 3.07 -1.79 -3.35 115.11 114.66 2jts h GLN 12 Ca 0.02 -0.30 0.08 0.00 0.09 0.00 0.00 58.65 58.55 2jts h GLN 12 Cb 0.10 0.10 -0.07 0.00 0.08 0.00 0.00 27.48 27.69 2jts h GLN 12 CO -0.00 1.05 0.59 -0.92 0.09 0.00 0.00 178.83 179.64 2jts h TYR 13 N -0.45 1.09 -0.26 0.06 3.20 -1.24 -0.61 116.97 118.76 2jts h TYR 13 Ca -0.06 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 2jts h TYR 13 Cb 1.23 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 39.14 2jts h TYR 13 CO 0.19 0.52 0.12 1.96 -1.64 0.00 0.00 178.16 179.31 2jts h GLN 14 N 1.03 0.37 0.02 1.82 1.08 -1.26 -2.64 115.11 115.54 2jts h GLN 14 Ca 0.43 -0.06 -0.05 0.00 -1.45 0.00 0.00 58.65 57.52 2jts h GLN 14 Cb 0.26 -0.07 0.01 0.00 -0.05 0.00 0.00 27.48 27.63 2jts h GLN 14 CO -0.20 0.37 -0.22 -0.56 -0.95 0.00 0.00 178.83 177.27 2jts h GLN 15 N 0.28 0.11 -1.80 1.46 3.07 -1.43 -0.74 115.11 116.07 2jts h GLN 15 Ca 0.09 -0.15 0.01 0.00 0.09 0.00 0.00 58.65 58.69 2jts h GLN 15 Cb 0.12 0.05 -0.23 0.00 0.08 0.00 0.00 27.48 27.50 2jts h GLN 15 CO -0.01 0.96 0.31 -1.83 0.09 0.00 0.00 178.83 178.35 2jts s GLU 16 N -2.77 0.72 0.08 0.06 -1.05 -0.33 -4.18 118.70 111.22 2jts s GLU 16 Ca -0.17 0.65 0.02 0.00 -0.15 0.00 0.00 54.97 55.33 2jts s GLU 16 Cb -0.01 0.35 -0.03 0.00 -0.44 0.00 0.00 34.13 34.00 2jts s GLU 16 CO 0.73 -0.13 -0.08 -3.38 0.95 0.00 0.00 175.26 173.36 2jts s HIS 17 N -0.06 0.84 0.19 4.83 -3.43 0.05 -4.14 115.29 113.56 2jts s HIS 17 Ca -0.00 -0.71 -0.33 0.00 -0.80 0.00 0.00 55.06 53.22 2jts s HIS 17 Cb -0.04 -0.48 -0.13 0.00 -1.43 0.00 0.00 32.58 30.50 2jts s HIS 17 CO -0.00 -0.10 1.65 0.28 -2.00 0.00 0.00 174.74 174.57 2jts n VAL 18 N 0.64 0.04 -1.75 -5.38 0.31 -1.26 -1.10 118.33 109.83 2jts n VAL 18 Ca -0.17 -0.01 -0.43 0.00 -0.01 0.00 0.00 64.34 63.73 2jts n VAL 18 Cb 0.58 -1.77 -0.03 0.00 -0.91 0.00 0.00 33.84 31.71 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 0.99 3.64 0.00 5.55 -0.44 -0.13 -1.16 119.66 128.11 2jts s GLN 19 Ca 0.76 2.15 0.00 0.00 -2.50 0.00 0.00 55.36 55.78 2jts s GLN 19 Cb -0.59 -4.22 0.00 0.00 -1.64 0.00 0.00 33.01 26.56 2jts s GLN 19 CO 0.35 -1.51 0.00 0.41 0.50 0.00 0.00 175.29 175.04 2jts n GLY 20 N 5.07 1.57 3.87 2.59 0.00 -1.26 -4.93 105.19 112.10 2jts n GLY 20 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.07 2.84 0.00 4.61 0.00 -0.31 -4.19 121.76 122.65 2jts s ALA 21 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.67 2jts s ALA 21 Cb 0.00 -3.04 -0.00 0.00 0.00 0.00 0.00 23.12 20.07 2jts s ALA 21 CO 0.00 -1.16 -0.02 0.96 0.00 0.00 0.00 175.76 175.54 2jts s ILE 22 N -3.31 0.13 -0.38 0.00 -4.36 -1.13 -4.93 121.20 107.21 2jts s ILE 22 Ca 0.58 -0.15 -0.29 0.00 -0.26 0.00 0.00 60.65 60.54 2jts s ILE 22 Cb -0.11 -0.13 0.02 0.00 1.25 0.00 0.00 42.46 43.49 2jts s ILE 22 CO 0.52 -0.01 1.09 0.21 0.24 0.00 0.00 174.94 177.00 2jts s ASN 23 N -0.17 6.82 -0.39 4.36 3.84 -1.26 -1.07 114.94 127.07 2jts s ASN 23 Ca -0.01 0.84 0.03 0.00 0.21 0.00 0.00 52.86 53.93 2jts s ASN 23 Cb -0.01 -2.54 0.16 0.00 -0.55 0.00 0.00 41.25 38.30 2jts s ASN 23 CO -0.00 -1.01 0.29 -0.63 -2.79 0.00 0.00 177.10 172.96 2jts s ILE 24 N 3.93 0.30 0.72 -5.21 1.01 0.25 -4.97 121.20 117.24 2jts s ILE 24 Ca 0.46 -2.32 -0.16 0.00 0.00 0.00 0.00 60.65 58.63 2jts s ILE 24 Cb -0.10 -1.23 -0.03 0.00 0.01 0.00 0.00 42.46 41.11 2jts s ILE 24 CO 0.21 -1.14 0.64 -2.65 0.00 0.00 0.00 174.94 172.00 2jts n PRO 25 N 3.28 0.35 -0.29 2.79 -0.02 -1.26 -4.13 135.00 135.72 2jts n PRO 25 Ca 0.23 0.16 0.21 0.00 -2.02 0.00 0.00 63.50 62.08 2jts n PRO 25 Cb 0.44 -1.93 0.51 0.00 -0.02 0.00 0.00 33.50 32.50 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 -0.34 0.42 -1.10 2.45 5.85 -1.18 0.12 115.31 121.53 2jts h LEU 26 Ca -0.46 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.32 2jts h LEU 26 Cb 1.35 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.36 2jts h LEU 26 CO 0.44 0.13 0.00 0.11 -0.34 0.00 0.00 178.44 178.77 2jts h LYS 27 N 0.40 0.00 0.00 1.25 1.57 -1.89 -3.30 116.57 114.60 2jts h LYS 27 Ca 0.54 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.32 2jts h LYS 27 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.67 2jts h LYS 27 CO -0.23 0.00 -0.46 0.39 -0.57 0.00 0.00 179.45 178.57 2jts n GLU 28 N -2.36 2.88 -0.26 3.15 1.02 0.24 -4.79 120.64 120.52 2jts n GLU 28 Ca 0.01 0.00 0.23 0.00 -0.02 0.00 0.00 57.16 57.38 2jts n GLU 28 Cb 0.17 -0.70 0.57 0.00 -0.02 0.00 0.00 31.44 31.46 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 0.58 0.00 2.62 3.04 -1.11 -0.12 116.25 121.26 2jts h VAL 29 Ca 0.00 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.59 2jts h VAL 29 Cb 0.00 0.26 0.00 0.00 -2.01 0.00 0.00 31.29 29.54 2jts h VAL 29 CO 0.00 0.05 0.00 1.17 -1.01 0.00 0.00 177.57 177.78 2jts n LYS 30 N -4.47 0.06 0.02 4.17 4.81 -1.26 -2.68 118.16 118.80 2jts n LYS 30 Ca 0.22 0.42 0.00 0.00 -0.87 0.00 0.00 58.31 58.07 2jts n LYS 30 Cb 0.85 -1.65 0.00 0.00 0.02 0.00 0.00 35.03 34.26 2jts n LYS 30 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2jts n GLU 31 N -1.77 0.00 0.29 1.64 4.07 -0.29 -4.83 120.64 119.75 2jts n GLU 31 Ca 0.01 0.00 0.16 0.00 -0.06 0.00 0.00 57.16 57.28 2jts n GLU 31 Cb 0.11 -0.45 0.87 0.00 -0.06 0.00 0.00 31.44 31.92 2jts n GLU 31 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2jts h ARG 32 N 0.00 0.00 -0.79 5.31 3.08 -1.16 -1.92 114.38 118.90 2jts h ARG 32 Ca 0.00 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.15 2jts h ARG 32 Cb 0.59 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.59 2jts h ARG 32 CO 0.00 0.06 0.51 0.97 -1.07 0.00 0.00 179.97 180.44 2jts h ILE 33 N 0.00 0.93 0.00 2.04 6.09 -1.74 -1.77 117.51 123.07 2jts h ILE 33 Ca -0.00 -0.24 0.00 0.00 -1.37 0.00 0.00 64.86 63.25 2jts h ILE 33 Cb 0.22 0.18 0.00 0.00 0.47 0.00 0.00 36.82 37.68 2jts h ILE 33 CO 0.01 0.13 0.00 0.00 -3.07 0.00 0.00 178.15 175.21 2jts n ALA 34 N -2.45 1.42 -0.25 0.18 0.00 -0.72 -0.71 120.51 117.98 2jts n ALA 34 Ca 0.13 0.03 0.02 0.00 0.00 0.00 0.00 53.44 53.62 2jts n ALA 34 Cb 0.34 -1.22 0.03 0.00 0.00 0.00 0.00 19.45 18.60 2jts n ALA 34 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2jts n THR 35 N -1.77 1.21 0.00 0.00 -2.24 -0.68 -4.29 114.28 106.51 2jts n THR 35 Ca 0.02 -1.29 0.00 0.00 -2.27 0.00 0.00 64.05 60.50 2jts n THR 35 Cb 0.12 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 2jts n THR 35 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jts n ALA 36 N -0.71 1.91 -3.26 6.98 0.00 -0.58 -4.91 120.51 119.93 2jts n ALA 36 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.23 2jts n ALA 36 Cb 0.34 0.22 -0.08 0.00 0.00 0.00 0.00 19.45 19.94 2jts n ALA 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2jts n VAL 37 N -1.86 -0.49 0.21 0.00 0.31 0.12 -5.01 118.33 111.61 2jts n VAL 37 Ca 0.00 -4.02 0.05 0.00 -0.01 0.00 0.00 64.34 60.36 2jts n VAL 37 Cb 0.25 -1.92 0.46 0.00 -0.91 0.00 0.00 33.84 31.72 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 4.33 0.00 -6.23 5.55 0.13 -1.75 -3.35 132.00 130.69 2jts h PRO 38 Ca 0.12 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.71 2jts h PRO 38 Cb 0.86 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.91 2jts h PRO 38 CO 0.48 0.26 1.20 0.34 -0.23 0.00 0.00 178.00 180.05 2jts s ASP 39 N -6.87 6.12 0.06 1.44 2.15 -1.26 -4.88 116.67 113.44 2jts s ASP 39 Ca -0.03 -0.66 0.09 0.00 0.43 0.00 0.00 52.55 52.37 2jts s ASP 39 Cb 0.15 -2.56 0.41 0.00 -0.30 0.00 0.00 42.92 40.62 2jts s ASP 39 CO 0.70 -1.84 1.28 2.29 -0.17 0.00 0.00 175.17 177.42 2jts n LYS 40 N 9.20 0.03 0.18 4.34 2.85 -1.26 -1.57 118.16 131.94 2jts n LYS 40 Ca 0.15 0.44 0.13 0.00 -1.05 0.00 0.00 58.31 57.98 2jts n LYS 40 Cb 0.50 -1.59 0.38 0.00 -0.65 0.00 0.00 35.03 33.67 2jts n LYS 40 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 177.40 176.38 2jts h ASN 41 N 0.00 0.00 -4.26 -5.58 -1.24 -1.90 -3.01 115.58 99.58 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 0.10 0.00 0.12 0.00 0.73 0.00 0.00 38.32 39.27 2jts h ASN 41 CO 0.00 0.00 0.34 -0.62 -1.29 0.00 0.00 177.43 175.86 2jts s ASP 42 N -5.28 4.82 0.15 1.15 2.15 -0.61 -4.49 116.67 114.56 2jts s ASP 42 Ca 0.07 1.89 -0.30 0.00 0.43 0.00 0.00 52.55 54.63 2jts s ASP 42 Cb 0.09 -2.53 -0.07 0.00 -0.30 0.00 0.00 42.92 40.10 2jts s ASP 42 CO 0.58 -1.82 1.18 -0.89 -0.17 0.00 0.00 175.17 174.05 2jts s THR 43 N -2.66 3.78 -0.35 1.71 2.01 -1.21 -4.36 115.64 114.56 2jts s THR 43 Ca 0.63 1.43 0.00 0.00 0.31 0.00 0.00 61.69 64.06 2jts s THR 43 Cb -0.18 -3.91 0.11 0.00 0.01 0.00 0.00 72.50 68.53 2jts s THR 43 CO 0.49 0.20 0.14 -0.69 -0.69 0.00 0.00 174.62 174.07 2jts s VAL 44 N 0.25 0.98 0.06 3.82 1.01 -0.56 -1.62 120.40 124.34 2jts s VAL 44 Ca 0.54 -1.72 -0.30 0.00 0.00 0.00 0.00 61.98 60.49 2jts s VAL 44 Cb -0.31 -1.72 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 2jts s VAL 44 CO 0.34 -0.75 1.01 -0.54 0.00 0.00 0.00 175.10 175.15 2jts s LYS 45 N 1.25 4.60 -0.05 2.72 1.02 -0.14 -1.06 119.74 128.09 2jts s LYS 45 Ca 0.12 1.49 0.05 0.00 0.02 0.00 0.00 55.97 57.65 2jts s LYS 45 Cb -0.20 -3.40 -0.00 0.00 -0.52 0.00 0.00 37.83 33.71 2jts s LYS 45 CO -0.17 0.04 -0.18 0.14 -0.92 0.00 0.00 175.35 174.26 2jts s VAL 46 N 0.52 1.52 0.12 3.17 -7.23 -0.13 -0.96 120.40 117.41 2jts s VAL 46 Ca 0.51 -0.77 -0.10 0.00 -1.81 0.00 0.00 61.98 59.81 2jts s VAL 46 Cb -0.23 -1.30 -0.00 0.00 0.56 0.00 0.00 36.38 35.40 2jts s VAL 46 CO 0.29 0.44 0.25 -0.72 -0.31 0.00 0.00 175.10 175.05 2jts s TYR 47 N 0.01 0.22 0.20 2.82 1.13 -1.07 -1.62 117.35 119.05 2jts s TYR 47 Ca -0.04 -0.61 -0.16 0.00 -1.41 0.00 0.00 57.07 54.85 2jts s TYR 47 Cb -0.12 -0.02 0.02 0.00 -1.10 0.00 0.00 41.96 40.74 2jts s TYR 47 CO 0.02 -0.64 0.51 0.00 -2.51 0.00 0.00 175.55 172.94 2jts h ASN 49 N 2.23 0.18 1.20 0.00 -1.24 -1.93 -0.76 115.58 115.26 2jts h ASN 49 Ca -0.28 0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.74 2jts h ASN 49 Cb 1.26 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 40.28 2jts h ASN 49 CO 0.37 0.10 -0.39 0.00 -1.29 0.00 0.00 177.43 176.22 2jts h ALA 50 N 1.69 0.76 -4.81 1.57 0.00 -1.96 -3.41 119.26 113.10 2jts h ALA 50 Ca 0.31 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.83 2jts h ALA 50 Cb 0.93 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.72 2jts h ALA 50 CO -0.06 0.00 -0.58 0.41 0.00 0.00 0.00 179.25 179.03 2jts n GLY 51 N 1.29 -0.51 2.02 0.00 0.00 -0.93 -4.78 105.19 102.28 2jts n GLY 51 Ca 0.04 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2jts n GLY 51 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jts n ARG 52 N -3.87 0.00 0.27 1.61 3.00 -1.26 -4.74 116.66 111.66 2jts n ARG 52 Ca -0.08 0.00 0.11 0.00 -0.00 0.00 0.00 57.85 57.88 2jts n ARG 52 Cb 0.59 0.00 0.73 0.00 0.00 0.00 0.00 32.46 33.78 2jts n ARG 52 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 2jts h GLN 53 N 0.00 0.00 -0.60 -0.14 4.20 -1.94 0.09 115.11 116.72 2jts h GLN 53 Ca 0.00 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.61 2jts h GLN 53 Cb 0.00 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 2jts h GLN 53 CO 0.00 0.03 -0.01 0.66 -0.67 0.00 0.00 178.83 178.84 2jts h SER 54 N 0.00 1.06 -0.94 1.46 4.64 -1.86 -0.57 113.55 117.34 2jts h SER 54 Ca -0.00 -0.31 0.02 0.00 -0.47 0.00 0.00 61.79 61.03 2jts h SER 54 Cb 0.06 -0.29 -0.05 0.00 -0.31 0.00 0.00 62.40 61.81 2jts h SER 54 CO 0.00 1.11 0.62 1.23 -0.87 0.00 0.00 176.83 178.93 2jts h GLY 55 N 0.98 1.36 0.87 -0.77 0.00 -1.30 0.25 103.07 104.46 2jts h GLY 55 Ca 0.17 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 2jts h GLY 55 CO 0.03 0.44 0.07 1.46 0.00 0.00 0.00 176.54 178.54 2jts h GLN 56 N 1.23 0.34 -0.40 4.80 1.08 -0.98 -2.04 115.11 119.13 2jts h GLN 56 Ca 0.36 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.49 2jts h GLN 56 Cb -0.06 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.30 2jts h GLN 56 CO -0.10 0.43 0.26 0.00 -0.95 0.00 0.00 178.83 178.47 2jts h ALA 57 N 0.89 1.72 -0.38 3.87 0.00 -0.82 -1.16 119.26 123.39 2jts h ALA 57 Ca 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2jts h ALA 57 Cb 0.23 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2jts h ALA 57 CO -0.00 0.26 0.17 -0.22 0.00 0.00 0.00 179.25 179.46 2jts h LYS 58 N 0.54 0.56 -0.74 0.00 3.11 -0.43 -0.73 116.57 118.88 2jts h LYS 58 Ca 0.15 -0.09 -0.06 0.00 -2.81 0.00 0.00 60.65 57.83 2jts h LYS 58 Cb -0.06 -0.09 -0.03 0.00 -1.00 0.00 0.00 32.23 31.04 2jts h LYS 58 CO -0.03 0.51 0.23 0.93 -2.81 0.00 0.00 179.45 178.28 2jts h GLU 59 N 0.47 1.15 0.15 1.90 4.39 -0.67 -0.29 114.58 121.67 2jts h GLU 59 Ca 0.13 -0.25 0.01 0.00 0.34 0.00 0.00 59.36 59.59 2jts h GLU 59 Cb 0.15 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 2jts h GLU 59 CO -0.01 0.98 -0.18 0.82 -1.16 0.00 0.00 179.01 179.45 2jts h ILE 60 N 1.10 0.59 0.00 3.13 2.04 -0.90 -0.69 117.51 122.78 2jts h ILE 60 Ca 0.24 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 66.01 2jts h ILE 60 Cb 0.31 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 2jts h ILE 60 CO -0.01 0.00 -0.43 -0.07 0.00 0.00 0.00 178.15 177.65 2jts h LEU 61 N -0.38 0.00 -0.62 1.44 3.38 -0.93 -1.26 115.31 116.94 2jts h LEU 61 Ca 0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 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 -0.07 0.43 0.07 0.28 0.09 0.00 0.00 178.44 179.23 2jts h SER 62 N 0.00 1.02 -0.43 -0.43 0.02 -0.79 -1.41 113.55 111.53 2jts h SER 62 Ca -0.00 -0.28 -0.06 0.00 -0.84 0.00 0.00 61.79 60.62 2jts h SER 62 Cb 0.79 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 2jts h SER 62 CO 0.06 1.04 0.09 -0.08 -1.14 0.00 0.00 176.83 176.79 2jts h GLU 63 N 0.96 0.78 0.00 3.45 4.81 -0.35 -0.83 114.58 123.41 2jts h GLU 63 Ca 0.19 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2jts h GLU 63 Cb 0.47 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.74 2jts h GLU 63 CO 0.02 0.73 0.00 -1.33 -0.73 0.00 0.00 179.01 177.70 2jts n MET 64 N -4.26 0.40 -0.94 1.92 2.81 -0.55 -4.89 117.12 111.61 2jts n MET 64 Ca 0.03 0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 2jts n MET 64 Cb 0.24 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.25 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 0.23 0.45 3.70 3.03 0.00 -0.32 -5.02 105.19 107.27 2jts n GLY 65 Ca 0.11 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 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 2.87 -0.25 1.61 1.51 -0.58 -4.90 117.35 115.60 2jts s TYR 66 Ca 0.00 0.66 0.20 0.00 -1.01 0.00 0.00 57.07 56.92 2jts s TYR 66 Cb 0.00 -3.82 0.06 0.00 -0.11 0.00 0.00 41.96 38.09 2jts s TYR 66 CO 0.00 -3.07 1.18 1.79 -1.11 0.00 0.00 175.55 174.34 2jts h THR 67 N 4.52 0.21 -0.34 -0.71 1.35 -1.82 -3.39 112.91 112.74 2jts h THR 67 Ca -0.41 -1.36 -0.26 0.00 -0.55 0.00 0.00 66.41 63.82 2jts h THR 67 Cb 1.20 1.84 -0.34 0.00 -1.73 0.00 0.00 68.15 69.12 2jts h THR 67 CO 0.90 0.12 -0.92 1.41 -0.25 0.00 0.00 175.52 176.78 2jts n HIS 68 N -2.89 1.13 -2.29 4.73 8.25 -1.26 -5.05 115.22 117.84 2jts n HIS 68 Ca -0.01 -1.67 -0.37 0.00 -0.26 0.00 0.00 57.72 55.41 2jts n HIS 68 Cb 0.63 -0.24 -0.01 0.00 1.12 0.00 0.00 29.99 31.48 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 -3.04 3.19 -0.07 1.59 1.01 -1.26 -1.50 120.40 120.32 2jts s VAL 69 Ca 0.37 0.89 -0.03 0.00 0.00 0.00 0.00 61.98 63.21 2jts s VAL 69 Cb 0.37 -3.45 0.04 0.00 0.00 0.00 0.00 36.38 33.33 2jts s VAL 69 CO -0.05 -0.01 0.14 -0.70 0.00 0.00 0.00 175.10 174.48 2jts s GLU 70 N -2.67 0.05 -0.74 2.72 2.12 -0.23 -4.88 118.70 115.09 2jts s GLU 70 Ca 0.63 0.44 -0.26 0.00 0.36 0.00 0.00 54.97 56.13 2jts s GLU 70 Cb -0.28 -0.23 0.01 0.00 0.26 0.00 0.00 34.13 33.88 2jts s GLU 70 CO 0.34 -0.23 1.58 1.21 -0.54 0.00 0.00 175.26 177.62 2jts s ASN 71 N 1.65 5.76 0.42 -1.70 3.04 -1.26 -0.96 114.94 121.89 2jts s ASN 71 Ca -0.04 -0.28 0.09 0.00 0.04 0.00 0.00 52.86 52.67 2jts s ASN 71 Cb -0.12 -2.55 0.88 0.00 -1.54 0.00 0.00 41.25 37.93 2jts s ASN 71 CO -0.06 -2.10 2.03 0.00 -3.04 0.00 0.00 177.10 173.93 2jts h ALA 72 N 12.01 1.68 0.00 1.71 0.00 -1.66 -3.47 119.26 129.53 2jts h ALA 72 Ca -0.19 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2jts h ALA 72 Cb 1.08 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2jts h ALA 72 CO 1.27 0.26 0.00 0.41 0.00 0.00 0.00 179.25 181.19 2jts n GLY 73 N -1.31 0.60 3.35 0.00 0.00 -1.24 -4.85 105.19 101.73 2jts n GLY 73 Ca 0.01 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 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 1.36 0.35 -0.02 0.00 -1.26 -3.84 107.32 103.91 2jts s GLY 74 Ca 0.00 -1.53 0.05 0.00 0.00 0.00 0.00 44.72 43.24 2jts s GLY 74 CO 0.00 -1.16 1.91 -2.00 0.00 0.00 0.00 173.10 171.84 2jts h LEU 75 N 2.38 0.50 -0.83 0.66 5.85 -1.38 -0.19 115.31 122.30 2jts h LEU 75 Ca -0.31 -0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.23 2jts h LEU 75 Cb 1.25 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 2jts h LEU 75 CO 0.44 0.53 -0.22 0.50 -0.34 0.00 0.00 178.44 179.35 2jts h LYS 76 N 0.52 0.63 0.13 1.25 3.64 -1.83 -3.30 116.57 117.62 2jts h LYS 76 Ca 0.12 -0.24 -0.25 0.00 -1.27 0.00 0.00 60.65 59.01 2jts h LYS 76 Cb 0.25 -0.04 0.03 0.00 -0.41 0.00 0.00 32.23 32.06 2jts h LYS 76 CO 0.00 0.80 -1.06 0.22 -2.27 0.00 0.00 179.45 177.14 2jts h ASP 77 N 0.56 0.71 -3.98 4.20 3.58 -1.57 -3.45 116.42 116.46 2jts h ASP 77 Ca 0.08 -0.87 -0.54 0.00 0.42 0.00 0.00 57.03 56.13 2jts h ASP 77 Cb 0.68 -0.23 0.11 0.00 1.72 0.00 0.00 39.33 41.62 2jts h ASP 77 CO 0.05 1.51 0.68 -0.63 -2.88 0.00 0.00 179.24 177.97 2jts s ILE 78 N -2.80 2.21 -0.11 2.25 1.01 -0.22 -4.94 121.20 118.60 2jts s ILE 78 Ca -0.11 0.18 0.14 0.00 0.00 0.00 0.00 60.65 60.86 2jts s ILE 78 Cb 0.04 -3.11 0.30 0.00 0.01 0.00 0.00 42.46 39.70 2jts s ILE 78 CO 0.89 0.02 1.15 0.00 0.00 0.00 0.00 174.94 177.00 2jts n ALA 79 N -0.15 2.65 -1.31 9.38 0.00 -1.26 -4.94 120.51 124.87 2jts n ALA 79 Ca 0.05 -2.48 -0.30 0.00 0.00 0.00 0.00 53.44 50.71 2jts n ALA 79 Cb 0.42 -0.45 0.13 0.00 0.00 0.00 0.00 19.45 19.55 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 -2.00 1.44 0.57 0.00 -1.94 -1.26 -5.03 119.30 111.09 2jts s MET 80 Ca 0.28 0.74 -0.19 0.00 -1.71 0.00 0.00 55.69 54.81 2jts s MET 80 Cb 0.27 -1.84 -0.07 0.00 2.01 0.00 0.00 34.83 35.21 2jts s MET 80 CO -0.04 -2.09 0.79 -2.30 -0.01 0.00 0.00 175.02 171.37 2jts n PRO 81 N -3.77 0.77 -4.02 2.03 -0.02 -1.26 -4.88 135.00 123.85 2jts n PRO 81 Ca 0.07 0.30 -0.11 0.00 -2.02 0.00 0.00 63.50 61.73 2jts n PRO 81 Cb 0.56 -1.97 -0.12 0.00 -0.02 0.00 0.00 33.50 31.95 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 -2.43 0.40 0.01 -0.52 1.02 -1.26 -0.95 119.74 116.00 2jts s LYS 82 Ca 0.72 -0.62 -0.04 0.00 0.02 0.00 0.00 55.97 56.05 2jts s LYS 82 Cb -0.44 -0.11 -0.01 0.00 -0.52 0.00 0.00 37.83 36.76 2jts s LYS 82 CO 0.51 0.01 0.06 0.14 -0.92 0.00 0.00 175.35 175.14 2jts s VAL 83 N -1.28 0.09 0.89 3.17 -7.23 -0.26 -4.85 120.40 110.93 2jts s VAL 83 Ca -0.11 -0.77 -0.12 0.00 -1.81 0.00 0.00 61.98 59.17 2jts s VAL 83 Cb -0.09 -0.35 0.12 0.00 0.56 0.00 0.00 36.38 36.63 2jts s VAL 83 CO -0.00 -0.42 1.09 -1.59 -0.31 0.00 0.00 175.10 173.87 2jts s LYS 84 N -1.37 1.32 0.00 4.82 -2.85 -1.26 -0.77 119.74 119.62 2jts s LYS 84 Ca -0.15 0.81 0.00 0.00 -1.00 0.00 0.00 55.97 55.63 2jts s LYS 84 Cb -0.08 -1.82 0.00 0.00 -2.06 0.00 0.00 37.83 33.87 2jts s LYS 84 CO 0.00 -2.20 0.28 0.41 0.10 0.00 0.00 175.35 173.95