#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 0.71 0.06 0.00 2.02 -1.26 -3.37 118.70 116.86 2jts s GLU 2 Ca 0.00 -0.95 0.04 0.00 0.02 0.00 0.00 54.97 54.08 2jts s GLU 2 Cb 0.00 0.28 -0.03 0.00 0.10 0.00 0.00 34.13 34.48 2jts s GLU 2 CO 0.00 -0.19 -0.12 -1.01 0.02 0.00 0.00 175.26 173.96 2jts s HIS 3 N -3.48 1.03 0.02 1.61 3.76 0.14 -4.97 115.29 113.39 2jts s HIS 3 Ca 0.02 -0.48 0.07 0.00 -0.15 0.00 0.00 55.06 54.52 2jts s HIS 3 Cb 0.04 -0.59 -0.02 0.00 1.11 0.00 0.00 32.58 33.12 2jts s HIS 3 CO -0.09 0.01 -0.21 -1.58 -0.85 0.00 0.00 174.74 172.02 2jts s TRP 4 N -1.35 1.88 -0.03 1.40 0.52 -1.26 -0.33 118.94 119.76 2jts s TRP 4 Ca -0.04 -0.37 -0.01 0.00 0.02 0.00 0.00 56.10 55.70 2jts s TRP 4 Cb -0.10 -1.16 0.03 0.00 -1.15 0.00 0.00 33.47 31.09 2jts s TRP 4 CO 0.02 0.04 0.05 0.42 0.02 0.00 0.00 176.95 177.49 2jts s ILE 5 N -0.66 -0.09 -0.19 2.03 -1.09 -0.51 -2.97 121.20 117.72 2jts s ILE 5 Ca 0.08 0.35 -0.29 0.00 -2.23 0.00 0.00 60.65 58.56 2jts s ILE 5 Cb -0.09 -0.12 0.00 0.00 -1.58 0.00 0.00 42.46 40.67 2jts s ILE 5 CO 0.01 0.14 1.04 -0.62 -1.23 0.00 0.00 174.94 174.28 2jts s ASP 6 N 1.74 7.14 -0.19 3.58 2.15 -0.07 -2.46 116.67 128.56 2jts s ASP 6 Ca -0.01 1.44 0.16 0.00 0.43 0.00 0.00 52.55 54.57 2jts s ASP 6 Cb -0.12 -2.55 0.50 0.00 -0.30 0.00 0.00 42.92 40.45 2jts s ASP 6 CO -0.03 -0.60 1.40 1.33 -0.17 0.00 0.00 175.17 177.10 2jts n VAL 7 N 5.08 2.29 -3.47 1.11 0.24 -0.92 -0.32 118.33 122.34 2jts n VAL 7 Ca 0.11 -2.05 -0.13 0.00 -2.04 0.00 0.00 64.34 60.23 2jts n VAL 7 Cb 0.47 -0.27 0.01 0.00 -1.47 0.00 0.00 33.84 32.59 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 -0.71 0.94 -1.55 7.34 0.63 -1.26 -0.60 116.66 121.45 2jts n ARG 8 Ca 0.23 -1.87 -0.36 0.00 -0.92 0.00 0.00 57.85 54.92 2jts n ARG 8 Cb 0.89 0.08 0.09 0.00 0.45 0.00 0.00 32.46 33.97 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 -1.35 2.01 0.22 5.15 -7.23 -1.26 -4.03 120.40 113.92 2jts s VAL 9 Ca 0.24 0.01 0.29 0.00 -1.81 0.00 0.00 61.98 60.70 2jts s VAL 9 Cb -0.02 -2.83 0.29 0.00 0.56 0.00 0.00 36.38 34.37 2jts s VAL 9 CO 0.15 -0.00 1.86 -0.65 -0.31 0.00 0.00 175.10 176.15 2jts h PRO 10 N 0.12 0.00 -1.00 4.82 0.11 -1.98 -3.01 132.00 131.06 2jts h PRO 10 Ca -0.50 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.75 2jts h PRO 10 Cb 1.33 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.35 2jts h PRO 10 CO 0.51 0.00 0.63 1.49 -0.21 0.00 0.00 178.00 180.42 2jts h GLU 11 N 0.00 0.92 -0.23 1.05 4.81 -2.00 0.28 114.58 119.41 2jts h GLU 11 Ca 0.00 -0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 59.02 2jts h GLU 11 Cb 0.19 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.36 2jts h GLU 11 CO 0.00 0.61 -0.47 -0.56 -0.73 0.00 0.00 179.01 177.86 2jts h GLN 12 N 0.95 0.73 -0.81 1.92 3.07 -1.86 -3.29 115.11 115.82 2jts h GLN 12 Ca 0.51 -0.47 0.06 0.00 0.09 0.00 0.00 58.65 58.84 2jts h GLN 12 Cb 0.56 0.06 -0.05 0.00 0.08 0.00 0.00 27.48 28.13 2jts h GLN 12 CO -0.28 1.10 0.53 -0.92 0.09 0.00 0.00 178.83 179.35 2jts h TYR 13 N 0.46 0.90 -0.92 0.06 5.03 -1.14 -0.60 116.97 120.75 2jts h TYR 13 Ca 0.01 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.35 2jts h TYR 13 Cb 1.07 -0.30 -0.05 0.00 1.55 0.00 0.00 36.73 39.01 2jts h TYR 13 CO 0.08 0.48 0.61 1.96 -1.32 0.00 0.00 178.16 179.97 2jts h GLN 14 N 0.89 1.21 0.08 1.82 1.08 -1.14 -2.24 115.11 116.81 2jts h GLN 14 Ca 0.35 -0.07 -0.28 0.00 -1.45 0.00 0.00 58.65 57.20 2jts h GLN 14 Cb 0.22 -0.27 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 2jts h GLN 14 CO -0.12 0.80 -1.47 -0.56 -0.95 0.00 0.00 178.83 176.52 2jts h GLN 15 N 1.24 0.18 -1.87 1.46 3.07 -1.26 -2.72 115.11 115.22 2jts h GLN 15 Ca 0.34 -0.30 -0.01 0.00 0.09 0.00 0.00 58.65 58.76 2jts h GLN 15 Cb -0.14 0.11 -0.20 0.00 0.08 0.00 0.00 27.48 27.33 2jts h GLN 15 CO -0.07 1.14 0.31 -1.83 0.09 0.00 0.00 178.83 178.47 2jts s GLU 16 N -2.46 0.91 0.03 0.06 -1.05 -0.59 -4.27 118.70 111.34 2jts s GLU 16 Ca -0.23 0.22 -0.00 0.00 -0.15 0.00 0.00 54.97 54.80 2jts s GLU 16 Cb 0.05 0.43 -0.03 0.00 -0.44 0.00 0.00 34.13 34.14 2jts s GLU 16 CO 0.72 -0.28 -0.03 -3.38 0.95 0.00 0.00 175.26 173.23 2jts s HIS 17 N -1.19 0.33 0.10 4.83 -3.43 0.93 -3.91 115.29 112.96 2jts s HIS 17 Ca -0.08 -0.68 -0.34 0.00 -0.80 0.00 0.00 55.06 53.16 2jts s HIS 17 Cb -0.00 -0.25 -0.14 0.00 -1.43 0.00 0.00 32.58 30.76 2jts s HIS 17 CO 0.07 -0.24 1.60 0.28 -2.00 0.00 0.00 174.74 174.45 2jts n VAL 18 N 1.19 0.10 -1.74 -5.38 0.31 -1.26 -1.09 118.33 110.46 2jts n VAL 18 Ca -0.21 -0.02 -0.43 0.00 -0.01 0.00 0.00 64.34 63.67 2jts n VAL 18 Cb 0.57 -1.48 -0.03 0.00 -0.91 0.00 0.00 33.84 31.98 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 1.41 3.50 0.00 5.55 -0.44 -0.40 -1.37 119.66 127.92 2jts s GLN 19 Ca 0.82 2.06 0.00 0.00 -2.50 0.00 0.00 55.36 55.75 2jts s GLN 19 Cb -0.73 -4.25 0.00 0.00 -1.64 0.00 0.00 33.01 26.39 2jts s GLN 19 CO 0.42 -1.67 0.00 0.41 0.50 0.00 0.00 175.29 174.94 2jts n GLY 20 N 5.26 1.52 3.78 2.59 0.00 -1.26 -4.95 105.19 112.13 2jts n GLY 20 Ca 0.25 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.12 2.12 -0.02 4.61 0.00 -0.47 -4.47 121.76 121.41 2jts s ALA 21 Ca 0.00 -0.11 0.03 0.00 0.00 0.00 0.00 51.96 51.88 2jts s ALA 21 Cb 0.00 -3.15 -0.00 0.00 0.00 0.00 0.00 23.12 19.97 2jts s ALA 21 CO 0.00 -1.84 -0.12 0.96 0.00 0.00 0.00 175.76 174.77 2jts s ILE 22 N -3.07 0.96 -0.29 0.00 -4.36 -1.16 -4.89 121.20 108.40 2jts s ILE 22 Ca 0.61 -0.49 -0.29 0.00 -0.26 0.00 0.00 60.65 60.22 2jts s ILE 22 Cb -0.15 -0.82 0.00 0.00 1.25 0.00 0.00 42.46 42.74 2jts s ILE 22 CO 0.55 0.28 1.28 0.21 0.24 0.00 0.00 174.94 177.50 2jts s ASN 23 N -0.11 6.72 -0.40 4.36 3.84 -1.26 -0.89 114.94 127.21 2jts s ASN 23 Ca 0.01 1.24 0.03 0.00 0.21 0.00 0.00 52.86 54.36 2jts s ASN 23 Cb -0.07 -2.54 0.16 0.00 -0.55 0.00 0.00 41.25 38.26 2jts s ASN 23 CO 0.00 -1.03 0.31 -0.63 -2.79 0.00 0.00 177.10 172.96 2jts s ILE 24 N 4.22 0.25 0.72 -5.21 1.01 0.56 -4.97 121.20 117.79 2jts s ILE 24 Ca 0.55 -2.35 -0.16 0.00 0.00 0.00 0.00 60.65 58.69 2jts s ILE 24 Cb -0.17 -1.19 -0.03 0.00 0.01 0.00 0.00 42.46 41.09 2jts s ILE 24 CO 0.21 -1.15 0.64 -2.65 0.00 0.00 0.00 174.94 171.99 2jts n PRO 25 N 3.18 0.35 -0.32 2.79 -0.02 -1.26 -4.20 135.00 135.52 2jts n PRO 25 Ca 0.25 0.16 0.21 0.00 -2.02 0.00 0.00 63.50 62.10 2jts n PRO 25 Cb 0.45 -1.92 0.48 0.00 -0.02 0.00 0.00 33.50 32.49 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 -0.33 0.50 -1.04 2.45 5.85 -1.12 0.74 115.31 122.35 2jts h LEU 26 Ca -0.46 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.35 2jts h LEU 26 Cb 1.35 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.38 2jts h LEU 26 CO 0.44 0.11 0.00 0.11 -0.34 0.00 0.00 178.44 178.76 2jts h LYS 27 N 0.45 0.00 0.00 1.25 1.57 -1.89 -3.25 116.57 114.70 2jts h LYS 27 Ca 0.59 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.37 2jts h LYS 27 Cb 1.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.70 2jts h LYS 27 CO -0.31 0.00 -0.17 0.39 -0.57 0.00 0.00 179.45 178.79 2jts n GLU 28 N -2.35 3.23 -0.18 3.15 1.02 0.11 -4.79 120.64 120.83 2jts n GLU 28 Ca 0.01 0.00 0.17 0.00 -0.02 0.00 0.00 57.16 57.32 2jts n GLU 28 Cb 0.18 -0.41 0.52 0.00 -0.02 0.00 0.00 31.44 31.71 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 0.75 -0.41 2.62 3.04 -1.19 -1.36 116.25 119.70 2jts h VAL 29 Ca 0.00 -0.13 0.09 0.00 -1.01 0.00 0.00 66.70 65.65 2jts h VAL 29 Cb 0.00 0.33 -0.02 0.00 -2.01 0.00 0.00 31.29 29.59 2jts h VAL 29 CO 0.00 0.07 0.28 0.50 -1.01 0.00 0.00 177.57 177.41 2jts h LYS 30 N 0.39 0.15 0.00 4.17 3.64 -1.87 -1.34 116.57 121.71 2jts h LYS 30 Ca 0.39 -0.01 -0.28 0.00 -1.27 0.00 0.00 60.65 59.48 2jts h LYS 30 Cb 0.97 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.70 2jts h LYS 30 CO -0.13 0.10 -2.07 0.39 -2.27 0.00 0.00 179.45 175.48 2jts n GLU 31 N -4.45 0.91 0.15 1.90 1.02 -0.59 -4.59 120.64 114.99 2jts n GLU 31 Ca 0.06 0.06 0.12 0.00 -0.02 0.00 0.00 57.16 57.39 2jts n GLU 31 Cb 0.37 -1.38 0.27 0.00 -0.02 0.00 0.00 31.44 30.67 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 0.00 0.00 -0.67 3.49 3.08 -1.18 -3.01 114.38 116.10 2jts h ARG 32 Ca -0.42 0.00 0.10 0.00 0.07 0.00 0.00 59.98 59.74 2jts h ARG 32 Cb 1.77 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.78 2jts h ARG 32 CO -0.03 0.00 0.44 0.97 -1.07 0.00 0.00 179.97 180.28 2jts h ILE 33 N 0.00 0.89 -0.15 2.04 6.09 -1.49 -1.43 117.51 123.46 2jts h ILE 33 Ca 0.00 -0.17 -0.05 0.00 -1.37 0.00 0.00 64.86 63.27 2jts h ILE 33 Cb 0.86 0.37 -0.01 0.00 0.47 0.00 0.00 36.82 38.51 2jts h ILE 33 CO 0.00 0.09 -0.14 0.00 -3.07 0.00 0.00 178.15 175.03 2jts h ALA 34 N 1.67 1.49 0.00 0.18 0.00 -1.76 0.15 119.26 120.99 2jts h ALA 34 Ca 0.31 -0.21 -0.23 0.00 0.00 0.00 0.00 54.91 54.77 2jts h ALA 34 Cb 0.57 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2jts h ALA 34 CO -0.10 0.36 -1.43 1.79 0.00 0.00 0.00 179.25 179.88 2jts h THR 35 N 0.22 0.92 0.10 0.00 1.35 -1.62 -3.22 112.91 110.65 2jts h THR 35 Ca 0.04 -2.62 -0.29 0.00 -0.55 0.00 0.00 66.41 62.99 2jts h THR 35 Cb 0.39 2.40 0.03 0.00 -1.73 0.00 0.00 68.15 69.24 2jts h THR 35 CO 0.02 0.52 -1.21 0.00 -0.25 0.00 0.00 175.52 174.61 2jts h ALA 36 N 1.14 0.01 -2.23 6.62 0.00 -0.74 -3.42 119.26 120.65 2jts h ALA 36 Ca -0.19 -0.76 -0.53 0.00 0.00 0.00 0.00 54.91 53.44 2jts h ALA 36 Cb 1.82 0.10 -0.35 0.00 0.00 0.00 0.00 17.79 19.36 2jts h ALA 36 CO 0.08 0.68 -0.88 0.08 0.00 0.00 0.00 179.25 179.21 2jts s VAL 37 N -3.05 0.11 0.47 0.00 1.01 0.46 -5.01 120.40 114.38 2jts s VAL 37 Ca -0.10 -2.18 0.27 0.00 0.00 0.00 0.00 61.98 59.97 2jts s VAL 37 Cb 0.06 -1.05 0.30 0.00 0.00 0.00 0.00 36.38 35.69 2jts s VAL 37 CO 0.93 -1.02 2.11 1.55 0.00 0.00 0.00 175.10 178.68 2jts h PRO 38 N 5.93 0.00 -4.16 2.72 0.14 -1.73 -3.37 132.00 131.53 2jts h PRO 38 Ca 0.19 0.00 -0.75 0.00 0.14 0.00 0.00 66.00 65.58 2jts h PRO 38 Cb 0.95 0.00 -0.25 0.00 0.14 0.00 0.00 31.00 31.84 2jts h PRO 38 CO 0.30 0.09 -0.27 0.34 0.14 0.00 0.00 178.00 178.60 2jts s ASP 39 N -6.24 6.08 0.00 1.44 2.15 -1.26 -4.95 116.67 113.90 2jts s ASP 39 Ca -0.04 -1.76 0.14 0.00 0.43 0.00 0.00 52.55 51.33 2jts s ASP 39 Cb 0.14 -2.17 0.68 0.00 -0.30 0.00 0.00 42.92 41.27 2jts s ASP 39 CO 0.58 -0.80 1.39 2.29 -0.17 0.00 0.00 175.17 178.47 2jts n LYS 40 N 5.17 0.15 0.20 4.34 2.85 -1.26 -1.45 118.16 128.16 2jts n LYS 40 Ca -0.13 0.18 0.14 0.00 -1.05 0.00 0.00 58.31 57.45 2jts n LYS 40 Cb 0.41 -1.50 0.39 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 -4.11 -5.58 -0.00 -1.92 -2.94 115.58 101.03 2jts h ASN 41 Ca 0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 56.30 55.78 2jts h ASN 41 Cb 0.16 0.00 0.10 0.00 -0.00 0.00 0.00 38.32 38.58 2jts h ASN 41 CO 0.00 0.00 0.45 -0.62 -0.00 0.00 0.00 177.43 177.26 2jts s ASP 42 N -5.54 5.27 0.12 1.15 2.15 -0.53 -4.53 116.67 114.77 2jts s ASP 42 Ca 0.06 2.29 -0.31 0.00 0.43 0.00 0.00 52.55 55.02 2jts s ASP 42 Cb 0.08 -2.59 -0.07 0.00 -0.30 0.00 0.00 42.92 40.04 2jts s ASP 42 CO 0.59 -1.53 1.26 -0.89 -0.17 0.00 0.00 175.17 174.42 2jts s THR 43 N -1.74 3.65 -0.12 1.71 2.01 -1.22 -4.46 115.64 115.48 2jts s THR 43 Ca 0.75 1.25 0.01 0.00 0.31 0.00 0.00 61.69 64.01 2jts s THR 43 Cb -0.28 -3.80 0.02 0.00 0.01 0.00 0.00 72.50 68.45 2jts s THR 43 CO 0.33 0.13 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.55 2jts s VAL 44 N 0.69 1.53 -0.22 3.82 1.01 -0.07 -0.69 120.40 126.48 2jts s VAL 44 Ca 0.58 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.87 2jts s VAL 44 Cb -0.33 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 2jts s VAL 44 CO 0.32 0.45 -0.02 -0.54 0.00 0.00 0.00 175.10 175.31 2jts s LYS 45 N 1.07 3.47 0.03 2.72 1.02 0.55 -0.86 119.74 127.74 2jts s LYS 45 Ca -0.05 -0.58 0.02 0.00 0.02 0.00 0.00 55.97 55.39 2jts s LYS 45 Cb -0.15 -3.07 -0.04 0.00 -0.52 0.00 0.00 37.83 34.06 2jts s LYS 45 CO -0.03 -0.15 0.03 0.14 -0.92 0.00 0.00 175.35 174.42 2jts s VAL 46 N 1.40 4.29 0.16 3.17 -7.23 -0.26 -1.42 120.40 120.50 2jts s VAL 46 Ca 0.05 -0.69 -0.12 0.00 -1.81 0.00 0.00 61.98 59.41 2jts s VAL 46 Cb -0.14 -2.98 0.01 0.00 0.56 0.00 0.00 36.38 33.82 2jts s VAL 46 CO -0.01 0.27 0.35 -0.72 -0.31 0.00 0.00 175.10 174.68 2jts s TYR 47 N -1.21 0.15 0.24 2.82 1.13 -1.03 -1.13 117.35 118.33 2jts s TYR 47 Ca 0.23 -0.52 -0.05 0.00 -1.41 0.00 0.00 57.07 55.32 2jts s TYR 47 Cb -0.12 0.11 0.02 0.00 -1.10 0.00 0.00 41.96 40.87 2jts s TYR 47 CO 0.15 -0.75 0.42 0.00 -2.51 0.00 0.00 175.55 172.85 2jts h ASN 49 N 1.29 0.08 0.00 0.00 -1.24 -1.94 0.17 115.58 113.94 2jts h ASN 49 Ca -0.20 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.81 2jts h ASN 49 Cb 0.79 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.82 2jts h ASN 49 CO 0.26 0.06 0.00 0.00 -1.29 0.00 0.00 177.43 176.46 2jts n ALA 50 N -2.53 1.73 0.00 1.57 0.00 -1.26 -4.07 120.51 115.95 2jts n ALA 50 Ca -0.02 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.02 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 -0.03 2.72 0.09 0.00 0.00 -1.21 -4.72 105.19 102.04 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 0.42 0.17 0.00 1.61 9.65 -1.90 -2.01 114.38 122.31 2jts h ARG 52 Ca 0.00 -0.09 -0.12 0.00 -1.10 0.00 0.00 59.98 58.66 2jts h ARG 52 Cb 0.00 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.57 2jts h ARG 52 CO 0.00 0.62 -0.58 1.96 2.80 0.00 0.00 179.97 184.77 2jts h GLN 53 N -0.27 0.00 -0.29 0.20 4.20 -1.95 -0.69 115.11 116.32 2jts h GLN 53 Ca 0.01 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.62 2jts h GLN 53 Cb 0.59 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 2jts h GLN 53 CO 0.02 0.58 -0.26 0.66 -0.67 0.00 0.00 178.83 179.16 2jts h SER 54 N 0.00 0.58 -0.46 1.46 4.64 -1.84 -0.02 113.55 117.91 2jts h SER 54 Ca -0.01 -0.20 0.07 0.00 -0.47 0.00 0.00 61.79 61.18 2jts h SER 54 Cb 1.04 -0.16 -0.06 0.00 -0.31 0.00 0.00 62.40 62.91 2jts h SER 54 CO 0.08 0.82 0.13 1.23 -0.87 0.00 0.00 176.83 178.21 2jts h GLY 55 N 1.01 0.58 0.91 -0.77 0.00 -0.44 0.94 103.07 105.30 2jts h GLY 55 Ca 0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 2jts h GLY 55 CO 0.05 -0.02 0.11 1.46 0.00 0.00 0.00 176.54 178.14 2jts h GLN 56 N 0.28 0.47 -0.82 4.80 4.20 -0.83 -2.25 115.11 120.97 2jts h GLN 56 Ca 0.22 -0.10 0.03 0.00 0.06 0.00 0.00 58.65 58.87 2jts h GLN 56 Cb 0.26 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.93 2jts h GLN 56 CO -0.26 0.51 0.54 0.00 -0.67 0.00 0.00 178.83 178.94 2jts h ALA 57 N 0.94 1.48 -0.79 3.87 0.00 -0.71 -0.89 119.26 123.17 2jts h ALA 57 Ca 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2jts h ALA 57 Cb 0.22 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 2jts h ALA 57 CO -0.01 0.45 0.44 -0.22 0.00 0.00 0.00 179.25 179.91 2jts h LYS 58 N 1.03 1.09 -0.51 0.00 3.11 -0.27 0.16 116.57 121.19 2jts h LYS 58 Ca 0.32 -0.12 -0.07 0.00 -2.81 0.00 0.00 60.65 57.96 2jts h LYS 58 Cb -0.00 -0.22 -0.02 0.00 -1.00 0.00 0.00 32.23 30.99 2jts h LYS 58 CO -0.09 0.80 0.03 0.93 -2.81 0.00 0.00 179.45 178.31 2jts h GLU 59 N 1.09 0.88 -0.24 1.90 5.08 -0.77 0.13 114.58 122.65 2jts h GLU 59 Ca 0.28 -0.26 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 2jts h GLU 59 Cb 0.02 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 2jts h GLU 59 CO -0.05 0.89 0.05 0.82 -1.00 0.00 0.00 179.01 179.73 2jts h ILE 60 N 0.75 0.89 -0.14 3.13 2.04 -0.75 -0.79 117.51 122.63 2jts h ILE 60 Ca 0.15 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.94 2jts h ILE 60 Cb 0.48 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 2jts h ILE 60 CO 0.02 0.03 0.03 -0.07 0.00 0.00 0.00 178.15 178.16 2jts h LEU 61 N 0.14 0.22 -1.38 1.44 3.38 -0.77 -1.63 115.31 116.72 2jts h LEU 61 Ca 0.11 -0.24 0.17 0.00 0.09 0.00 0.00 57.88 58.02 2jts h LEU 61 Cb 0.11 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.73 2jts h LEU 61 CO -0.14 0.40 0.58 0.28 0.09 0.00 0.00 178.44 179.65 2jts h SER 62 N 0.03 0.54 -0.40 -0.43 0.02 -0.15 0.43 113.55 113.60 2jts h SER 62 Ca 0.05 0.05 -0.10 0.00 -0.84 0.00 0.00 61.79 60.94 2jts h SER 62 Cb 0.27 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 2jts h SER 62 CO 0.00 0.24 -0.10 -0.08 -1.14 0.00 0.00 176.83 175.75 2jts h GLU 63 N 0.55 0.85 0.00 3.45 4.81 -0.73 -2.02 114.58 121.50 2jts h GLU 63 Ca 0.46 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2jts h GLU 63 Cb 0.94 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.25 2jts h GLU 63 CO -0.20 0.92 0.00 -1.33 -0.73 0.00 0.00 179.01 177.66 2jts n MET 64 N -4.16 0.14 -0.82 1.92 2.81 0.14 -4.88 117.12 112.27 2jts n MET 64 Ca 0.02 0.20 0.00 0.00 -1.81 0.00 0.00 57.70 56.10 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 -0.27 1.23 3.76 3.03 0.00 -0.73 -5.05 105.19 107.18 2jts n GLY 65 Ca 0.05 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 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 2.55 -0.07 1.61 2.02 -1.22 -4.94 117.35 115.31 2jts s TYR 66 Ca 0.00 1.54 0.13 0.00 -0.37 0.00 0.00 57.07 58.37 2jts s TYR 66 Cb 0.00 -3.32 -0.19 0.00 -0.40 0.00 0.00 41.96 38.06 2jts s TYR 66 CO 0.00 -1.82 0.19 0.25 -1.57 0.00 0.00 175.55 172.59 2jts n THR 67 N -1.73 0.38 -2.69 -0.71 -2.24 -1.11 -4.74 114.28 101.45 2jts n THR 67 Ca 0.12 -0.41 -0.08 0.00 -2.27 0.00 0.00 64.05 61.41 2jts n THR 67 Cb 0.51 -0.19 0.03 0.00 -2.10 0.00 0.00 70.33 68.58 2jts n THR 67 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2jts n HIS 68 N -2.19 1.31 -3.38 4.78 8.25 -1.26 -5.06 115.22 117.66 2jts n HIS 68 Ca -0.10 -2.63 -0.33 0.00 -0.26 0.00 0.00 57.72 54.39 2jts n HIS 68 Cb 0.60 -0.33 -0.06 0.00 1.12 0.00 0.00 29.99 31.33 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 -3.43 4.89 -0.10 1.59 1.01 -1.26 -0.89 120.40 122.22 2jts s VAL 69 Ca 0.28 0.61 -0.07 0.00 0.00 0.00 0.00 61.98 62.80 2jts s VAL 69 Cb 0.42 -3.65 0.04 0.00 0.00 0.00 0.00 36.38 33.19 2jts s VAL 69 CO 0.01 0.02 0.26 -0.70 0.00 0.00 0.00 175.10 174.68 2jts s GLU 70 N -2.57 0.26 -0.44 2.72 2.12 -0.04 -4.94 118.70 115.81 2jts s GLU 70 Ca 0.45 0.46 -0.29 0.00 0.36 0.00 0.00 54.97 55.96 2jts s GLU 70 Cb -0.12 0.00 0.02 0.00 0.26 0.00 0.00 34.13 34.29 2jts s GLU 70 CO 0.20 -0.11 1.23 1.21 -0.54 0.00 0.00 175.26 177.26 2jts s ASN 71 N 0.76 6.55 0.37 -1.70 2.47 -1.26 -1.11 114.94 121.03 2jts s ASN 71 Ca -0.05 0.65 0.10 0.00 0.42 0.00 0.00 52.86 53.97 2jts s ASN 71 Cb -0.06 -2.55 0.73 0.00 -1.45 0.00 0.00 41.25 37.92 2jts s ASN 71 CO -0.05 -1.29 1.87 0.00 -3.72 0.00 0.00 177.10 173.91 2jts h ALA 72 N 9.67 1.43 0.00 1.71 0.00 -1.48 -3.48 119.26 127.12 2jts h ALA 72 Ca -0.25 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2jts h ALA 72 Cb 1.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2jts h ALA 72 CO 1.11 0.40 0.00 0.41 0.00 0.00 0.00 179.25 181.17 2jts n GLY 73 N -0.70 0.59 3.98 0.00 0.00 -1.26 -4.77 105.19 103.03 2jts n GLY 73 Ca -0.01 -1.60 -0.19 0.00 0.00 0.00 0.00 46.02 44.22 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 1.64 0.48 -0.02 0.00 -1.26 -3.69 107.32 104.46 2jts s GLY 74 Ca 0.00 -1.49 0.26 0.00 0.00 0.00 0.00 44.72 43.49 2jts s GLY 74 CO 0.00 -1.40 1.83 -2.00 0.00 0.00 0.00 173.10 171.53 2jts h LEU 75 N 0.90 0.21 -1.16 0.66 5.85 -0.80 0.32 115.31 121.29 2jts h LEU 75 Ca -0.45 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.22 2jts h LEU 75 Cb 1.26 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 2jts h LEU 75 CO 0.53 0.06 -0.39 0.11 -0.34 0.00 0.00 178.44 178.40 2jts h LYS 76 N 0.19 0.00 0.17 1.25 1.57 -1.85 -3.26 116.57 114.65 2jts h LYS 76 Ca 0.51 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.94 2jts h LYS 76 Cb 1.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.97 2jts h LYS 76 CO -0.12 0.39 -1.77 0.22 -0.57 0.00 0.00 179.45 177.60 2jts h ASP 77 N 0.00 0.57 -2.58 0.86 1.82 -0.75 -3.45 116.42 112.88 2jts h ASP 77 Ca -0.00 -0.94 -0.53 0.00 -0.39 0.00 0.00 57.03 55.18 2jts h ASP 77 Cb 0.76 -0.18 0.04 0.00 0.68 0.00 0.00 39.33 40.63 2jts h ASP 77 CO 0.05 1.79 1.08 -0.63 -1.61 0.00 0.00 179.24 179.92 2jts s ILE 78 N -2.56 2.48 -0.44 2.25 1.09 -1.01 -4.85 121.20 118.16 2jts s ILE 78 Ca -0.18 0.09 0.04 0.00 -1.10 0.00 0.00 60.65 59.51 2jts s ILE 78 Cb 0.05 -3.06 0.53 0.00 -1.06 0.00 0.00 42.46 38.92 2jts s ILE 78 CO 0.83 0.00 1.71 0.00 -0.10 0.00 0.00 174.94 177.38 2jts n ALA 79 N 5.29 5.35 -2.41 9.38 0.00 -1.26 -4.95 120.51 131.91 2jts n ALA 79 Ca 0.17 -3.27 -0.25 0.00 0.00 0.00 0.00 53.44 50.09 2jts n ALA 79 Cb 0.38 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 -3.48 3.35 0.62 0.00 -1.94 -1.26 -5.08 119.30 111.51 2jts s MET 80 Ca 0.55 -0.18 -0.18 0.00 -1.71 0.00 0.00 55.69 54.17 2jts s MET 80 Cb 0.46 -2.52 -0.06 0.00 2.01 0.00 0.00 34.83 34.72 2jts s MET 80 CO 0.03 -0.13 0.64 -2.30 -0.01 0.00 0.00 175.02 173.25 2jts n PRO 81 N -2.07 0.55 -4.14 2.03 -0.02 -1.26 -4.87 135.00 125.22 2jts n PRO 81 Ca -0.01 0.22 -0.14 0.00 -2.02 0.00 0.00 63.50 61.55 2jts n PRO 81 Cb 0.56 -1.86 -0.11 0.00 -0.02 0.00 0.00 33.50 32.08 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 -2.44 0.74 0.06 -0.52 1.02 -1.26 -1.27 119.74 116.07 2jts s LYS 82 Ca 0.70 -1.02 0.00 0.00 0.02 0.00 0.00 55.97 55.67 2jts s LYS 82 Cb -0.41 -0.47 -0.04 0.00 -0.52 0.00 0.00 37.83 36.39 2jts s LYS 82 CO 0.53 0.08 -0.04 0.14 -0.92 0.00 0.00 175.35 175.14 2jts s VAL 83 N -2.05 0.35 0.58 3.17 -7.23 -0.25 -4.84 120.40 110.13 2jts s VAL 83 Ca 0.00 -1.64 -0.07 0.00 -1.81 0.00 0.00 61.98 58.46 2jts s VAL 83 Cb -0.05 -1.29 -0.01 0.00 0.56 0.00 0.00 36.38 35.59 2jts s VAL 83 CO 0.00 -0.84 0.92 -0.54 -0.31 0.00 0.00 175.10 174.33 2jts s LYS 84 N -3.32 3.18 0.00 4.82 1.02 -1.26 -0.05 119.74 124.14 2jts s LYS 84 Ca 0.03 0.23 0.01 0.00 0.02 0.00 0.00 55.97 56.27 2jts s LYS 84 Cb 0.03 -2.24 0.07 0.00 -0.52 0.00 0.00 37.83 35.18 2jts s LYS 84 CO -0.06 -0.59 0.57 0.41 -0.92 0.00 0.00 175.35 174.75