#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 0.52 0.02 0.00 2.02 -1.26 -3.47 118.70 116.54 2jts s GLU 2 Ca 0.00 -0.72 -0.02 0.00 0.02 0.00 0.00 54.97 54.24 2jts s GLU 2 Cb 0.00 0.20 -0.02 0.00 0.10 0.00 0.00 34.13 34.42 2jts s GLU 2 CO 0.00 -0.12 0.02 -1.01 0.02 0.00 0.00 175.26 174.17 2jts s HIS 3 N -2.35 0.25 -0.03 1.61 3.76 -0.96 -4.98 115.29 112.58 2jts s HIS 3 Ca -0.07 -0.53 0.03 0.00 -0.15 0.00 0.00 55.06 54.34 2jts s HIS 3 Cb -0.03 -0.18 -0.00 0.00 1.11 0.00 0.00 32.58 33.48 2jts s HIS 3 CO -0.04 -0.27 -0.12 -1.58 -0.85 0.00 0.00 174.74 171.89 2jts s TRP 4 N -2.00 1.21 -0.03 1.40 0.52 -1.26 -0.95 118.94 117.84 2jts s TRP 4 Ca -0.11 -0.31 0.01 0.00 0.02 0.00 0.00 56.10 55.71 2jts s TRP 4 Cb -0.05 -0.83 0.02 0.00 -1.15 0.00 0.00 33.47 31.45 2jts s TRP 4 CO -0.02 -0.11 -0.02 0.42 0.02 0.00 0.00 176.95 177.24 2jts s ILE 5 N 0.09 0.27 -0.31 2.03 1.09 -0.93 -3.36 121.20 120.08 2jts s ILE 5 Ca -0.02 0.00 -0.25 0.00 -1.10 0.00 0.00 60.65 59.28 2jts s ILE 5 Cb -0.09 -0.33 0.01 0.00 -1.06 0.00 0.00 42.46 40.99 2jts s ILE 5 CO 0.01 0.15 0.89 -0.62 -0.10 0.00 0.00 174.94 175.27 2jts s ASP 6 N 0.82 6.77 -0.27 3.58 2.15 0.02 -3.42 116.67 126.32 2jts s ASP 6 Ca -0.09 0.82 0.12 0.00 0.43 0.00 0.00 52.55 53.83 2jts s ASP 6 Cb -0.12 -2.46 0.67 0.00 -0.30 0.00 0.00 42.92 40.71 2jts s ASP 6 CO -0.01 -0.70 1.66 1.33 -0.17 0.00 0.00 175.17 177.27 2jts n VAL 7 N 5.63 2.70 -3.82 1.11 0.24 -1.21 -0.61 118.33 122.37 2jts n VAL 7 Ca 0.07 -1.81 -0.15 0.00 -2.04 0.00 0.00 64.34 60.40 2jts n VAL 7 Cb 0.48 -0.32 -0.00 0.00 -1.47 0.00 0.00 33.84 32.53 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 -0.27 1.07 -1.72 7.34 0.63 -1.26 -0.45 116.66 122.00 2jts n ARG 8 Ca 0.33 -1.97 -0.37 0.00 -0.92 0.00 0.00 57.85 54.92 2jts n ARG 8 Cb 1.19 0.26 0.07 0.00 0.45 0.00 0.00 32.46 34.42 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 -1.61 2.08 0.61 5.15 -7.23 -1.26 -3.93 120.40 114.21 2jts s VAL 9 Ca 0.15 0.05 0.29 0.00 -1.81 0.00 0.00 61.98 60.66 2jts s VAL 9 Cb -0.01 -2.98 0.35 0.00 0.56 0.00 0.00 36.38 34.30 2jts s VAL 9 CO 0.10 -0.01 1.96 -0.65 -0.31 0.00 0.00 175.10 176.18 2jts h PRO 10 N 0.47 0.00 0.00 4.82 0.11 -1.98 -3.06 132.00 132.37 2jts h PRO 10 Ca -0.51 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 2jts h PRO 10 Cb 1.33 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.44 2jts h PRO 10 CO 0.53 0.00 -0.06 1.05 -0.21 0.00 0.00 178.00 179.31 2jts h GLU 11 N 0.00 0.00 0.05 1.05 4.11 -1.99 0.29 114.58 118.09 2jts h GLU 11 Ca 0.12 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.54 2jts h GLU 11 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 2jts h GLU 11 CO -0.00 0.06 -0.02 -0.56 0.07 0.00 0.00 179.01 178.56 2jts h GLN 12 N 0.00 -0.06 -0.85 1.06 3.07 -1.85 -3.30 115.11 113.18 2jts h GLN 12 Ca -0.00 0.00 0.10 0.00 0.09 0.00 0.00 58.65 58.84 2jts h GLN 12 Cb 0.14 0.01 -0.06 0.00 0.08 0.00 0.00 27.48 27.66 2jts h GLN 12 CO 0.01 0.37 0.55 -0.92 0.09 0.00 0.00 178.83 178.93 2jts h TYR 13 N -0.51 0.86 0.00 0.06 3.20 -1.21 0.13 116.97 119.50 2jts h TYR 13 Ca -0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2jts h TYR 13 Cb 0.46 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.45 2jts h TYR 13 CO 0.08 0.39 0.00 1.04 -1.64 0.00 0.00 178.16 178.03 2jts n GLN 14 N -4.52 0.03 0.00 1.82 1.13 -0.06 -2.03 117.38 113.75 2jts n GLN 14 Ca 0.14 0.49 0.00 0.00 -1.94 0.00 0.00 57.00 55.69 2jts n GLN 14 Cb 0.33 -1.60 0.00 0.00 0.11 0.00 0.00 30.24 29.08 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 -1.67 0.29 -3.63 -1.09 10.64 -0.19 -4.60 117.38 117.13 2jts n GLN 15 Ca 0.00 0.00 -0.15 0.00 -1.83 0.00 0.00 57.00 55.02 2jts n GLN 15 Cb 0.04 -0.80 -0.08 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 -1.59 0.82 0.04 2.61 1.03 -0.14 -3.74 118.70 117.72 2jts s GLU 16 Ca 0.00 0.44 -0.03 0.00 0.03 0.00 0.00 54.97 55.41 2jts s GLU 16 Cb 0.00 0.39 -0.02 0.00 -0.80 0.00 0.00 34.13 33.70 2jts s GLU 16 CO 0.00 -0.19 0.04 -3.38 -1.33 0.00 0.00 175.26 170.40 2jts s HIS 17 N -0.51 0.28 0.22 4.83 -3.43 -0.06 -3.60 115.29 113.02 2jts s HIS 17 Ca -0.06 -0.63 -0.32 0.00 -0.80 0.00 0.00 55.06 53.25 2jts s HIS 17 Cb -0.03 -0.21 -0.13 0.00 -1.43 0.00 0.00 32.58 30.78 2jts s HIS 17 CO 0.05 -0.33 1.53 0.28 -2.00 0.00 0.00 174.74 174.27 2jts n VAL 18 N 0.83 0.52 -1.68 -5.38 0.31 -1.26 -1.54 118.33 110.13 2jts n VAL 18 Ca -0.19 -0.13 -0.47 0.00 -0.01 0.00 0.00 64.34 63.54 2jts n VAL 18 Cb 0.58 -1.62 -0.04 0.00 -0.91 0.00 0.00 33.84 31.85 2jts n VAL 18 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2jts n GLN 19 N 2.74 2.29 0.00 5.55 0.00 -0.32 -1.42 117.38 126.22 2jts n GLN 19 Ca 0.13 0.84 0.00 0.00 -0.00 0.00 0.00 57.00 57.97 2jts n GLN 19 Cb 0.32 -2.70 0.00 0.00 0.00 0.00 0.00 30.24 27.85 2jts n GLN 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2jts n GLY 20 N 4.40 1.29 3.76 1.69 0.00 -1.26 -5.00 105.19 110.08 2jts n GLY 20 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.35 2.11 -0.01 4.61 0.00 -0.51 -4.68 121.76 120.94 2jts s ALA 21 Ca 0.00 0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.16 2jts s ALA 21 Cb 0.00 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.87 2jts s ALA 21 CO 0.00 -1.88 -0.06 0.96 0.00 0.00 0.00 175.76 174.78 2jts s ILE 22 N -2.92 0.55 -0.28 0.00 -4.36 -1.21 -4.90 121.20 108.08 2jts s ILE 22 Ca 0.62 -0.26 -0.29 0.00 -0.26 0.00 0.00 60.65 60.46 2jts s ILE 22 Cb -0.17 -0.48 0.01 0.00 1.25 0.00 0.00 42.46 43.06 2jts s ILE 22 CO 0.56 0.17 1.15 0.21 0.24 0.00 0.00 174.94 177.28 2jts s ASN 23 N 0.07 6.90 -0.37 4.36 3.84 -1.26 -0.80 114.94 127.67 2jts s ASN 23 Ca -0.01 1.23 0.02 0.00 0.21 0.00 0.00 52.86 54.32 2jts s ASN 23 Cb -0.05 -2.54 0.15 0.00 -0.55 0.00 0.00 41.25 38.26 2jts s ASN 23 CO -0.00 -0.88 0.30 -0.63 -2.79 0.00 0.00 177.10 173.10 2jts s ILE 24 N 3.74 -0.02 0.79 -5.21 1.01 0.21 -4.96 121.20 116.77 2jts s ILE 24 Ca 0.49 -1.63 -0.15 0.00 0.00 0.00 0.00 60.65 59.37 2jts s ILE 24 Cb -0.15 -0.96 0.01 0.00 0.01 0.00 0.00 42.46 41.37 2jts s ILE 24 CO 0.16 -0.88 0.71 -2.65 0.00 0.00 0.00 174.94 172.28 2jts n PRO 25 N 3.85 0.16 -0.32 2.79 -0.02 -1.25 -4.17 135.00 136.04 2jts n PRO 25 Ca 0.15 0.11 0.14 0.00 -2.02 0.00 0.00 63.50 61.88 2jts n PRO 25 Cb 0.42 -2.02 0.32 0.00 -0.02 0.00 0.00 33.50 32.20 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 -0.75 0.44 0.00 2.45 5.85 -1.02 0.17 115.31 122.44 2jts h LEU 26 Ca -0.45 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.41 2jts h LEU 26 Cb 1.32 0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.44 2jts h LEU 26 CO 0.42 0.05 0.00 0.29 -0.34 0.00 0.00 178.44 178.86 2jts n LYS 27 N -4.99 0.10 0.00 1.25 4.76 -1.26 -3.64 118.16 114.38 2jts n LYS 27 Ca 0.23 0.16 0.00 0.00 -2.87 0.00 0.00 58.31 55.83 2jts n LYS 27 Cb 0.66 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.35 2jts n LYS 27 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2jts n GLU 28 N -1.42 2.98 0.15 1.97 1.02 0.34 -4.78 120.64 120.90 2jts n GLU 28 Ca 0.06 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.31 2jts n GLU 28 Cb 0.18 -0.64 0.64 0.00 -0.02 0.00 0.00 31.44 31.60 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 0.92 -0.44 2.62 3.04 -0.96 -3.12 116.25 118.31 2jts h VAL 29 Ca 0.00 -0.02 0.07 0.00 -1.01 0.00 0.00 66.70 65.74 2jts h VAL 29 Cb 0.00 0.87 -0.06 0.00 -2.01 0.00 0.00 31.29 30.09 2jts h VAL 29 CO 0.00 0.01 0.10 0.50 -1.01 0.00 0.00 177.57 177.17 2jts h LYS 30 N 0.05 0.23 0.12 4.17 3.11 -1.86 -0.99 116.57 121.39 2jts h LYS 30 Ca 0.10 -0.01 -0.33 0.00 -2.81 0.00 0.00 60.65 57.59 2jts h LYS 30 Cb 0.31 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.48 2jts h LYS 30 CO -0.01 0.15 -1.79 0.93 -2.81 0.00 0.00 179.45 175.92 2jts h GLU 31 N 0.23 0.25 0.00 1.90 4.39 -1.95 -3.40 114.58 116.01 2jts h GLU 31 Ca 0.22 -0.42 0.00 0.00 0.34 0.00 0.00 59.36 59.49 2jts h GLU 31 Cb 0.27 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 2jts h GLU 31 CO -0.28 1.20 0.00 0.00 -1.16 0.00 0.00 179.01 178.78 2jts h ARG 32 N -0.11 0.00 -0.56 2.33 3.08 -1.43 -1.64 114.38 116.05 2jts h ARG 32 Ca -0.39 0.00 0.09 0.00 0.07 0.00 0.00 59.98 59.75 2jts h ARG 32 Cb 1.91 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.93 2jts h ARG 32 CO 0.06 0.00 0.37 0.97 -1.07 0.00 0.00 179.97 180.30 2jts h ILE 33 N 0.00 0.90 -0.76 2.04 6.09 -1.40 -1.52 117.51 122.87 2jts h ILE 33 Ca 0.00 -0.13 -0.04 0.00 -1.37 0.00 0.00 64.86 63.32 2jts h ILE 33 Cb 0.39 0.50 -0.03 0.00 0.47 0.00 0.00 36.82 38.15 2jts h ILE 33 CO 0.00 0.07 0.31 0.00 -3.07 0.00 0.00 178.15 175.46 2jts h ALA 34 N 1.72 0.98 -0.11 0.18 0.00 -1.53 0.15 119.26 120.66 2jts h ALA 34 Ca 0.26 -0.18 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 2jts h ALA 34 Cb 0.52 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2jts h ALA 34 CO -0.06 0.60 -0.73 1.79 0.00 0.00 0.00 179.25 180.84 2jts h THR 35 N 1.09 1.34 -0.27 0.00 1.35 -1.64 -3.00 112.91 111.77 2jts h THR 35 Ca 0.25 -2.06 -0.13 0.00 -0.55 0.00 0.00 66.41 63.93 2jts h THR 35 Cb 0.20 2.04 -0.00 0.00 -1.73 0.00 0.00 68.15 68.66 2jts h THR 35 CO -0.02 0.63 -0.33 0.00 -0.25 0.00 0.00 175.52 175.55 2jts h ALA 36 N 0.81 0.41 -2.22 6.62 0.00 -0.77 -3.41 119.26 120.71 2jts h ALA 36 Ca -0.03 -0.42 -0.51 0.00 0.00 0.00 0.00 54.91 53.94 2jts h ALA 36 Cb 1.32 -0.08 -0.35 0.00 0.00 0.00 0.00 17.79 18.68 2jts h ALA 36 CO 0.14 0.46 -0.86 0.08 0.00 0.00 0.00 179.25 179.06 2jts s VAL 37 N -4.28 0.06 0.32 0.00 1.01 0.49 -5.02 120.40 112.98 2jts s VAL 37 Ca -0.12 -2.05 0.03 0.00 0.00 0.00 0.00 61.98 59.84 2jts s VAL 37 Cb 0.09 -1.01 0.29 0.00 0.00 0.00 0.00 36.38 35.74 2jts s VAL 37 CO 0.84 -0.97 1.90 -0.65 0.00 0.00 0.00 175.10 176.22 2jts h PRO 38 N 6.08 0.90 -5.75 2.72 0.11 -1.72 -3.38 132.00 130.95 2jts h PRO 38 Ca 0.17 -0.05 -0.60 0.00 0.11 0.00 0.00 66.00 65.63 2jts h PRO 38 Cb 0.96 -0.20 -0.12 0.00 0.11 0.00 0.00 31.00 31.75 2jts h PRO 38 CO 0.29 0.59 0.72 0.34 -0.21 0.00 0.00 178.00 179.73 2jts s ASP 39 N -5.98 6.17 0.34 -2.05 2.15 -1.26 -4.90 116.67 111.14 2jts s ASP 39 Ca -0.11 -0.81 0.24 0.00 0.43 0.00 0.00 52.55 52.30 2jts s ASP 39 Cb 0.20 -2.47 1.23 0.00 -0.30 0.00 0.00 42.92 41.59 2jts s ASP 39 CO 0.79 -1.58 1.74 0.07 -0.17 0.00 0.00 175.17 176.03 2jts h LYS 40 N 9.72 0.00 0.00 4.34 2.10 -1.94 -1.69 116.57 129.10 2jts h LYS 40 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 2jts h LYS 40 Cb 1.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.39 2jts h LYS 40 CO 1.22 0.00 -0.17 -1.71 -2.00 0.00 0.00 179.45 176.79 2jts n ASN 41 N -2.34 0.39 -4.77 7.07 4.05 -1.26 -2.37 115.26 116.03 2jts n ASN 41 Ca -0.01 0.34 -0.33 0.00 0.45 0.00 0.00 54.58 55.03 2jts n ASN 41 Cb 0.09 -0.36 0.05 0.00 1.23 0.00 0.00 39.78 40.79 2jts n ASN 41 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 2jts s ASP 42 N -3.56 5.10 0.31 1.20 2.15 -0.64 -4.63 116.67 116.60 2jts s ASP 42 Ca 0.12 1.97 -0.29 0.00 0.43 0.00 0.00 52.55 54.78 2jts s ASP 42 Cb 0.16 -2.55 -0.10 0.00 -0.30 0.00 0.00 42.92 40.13 2jts s ASP 42 CO 0.60 -1.64 1.24 -0.89 -0.17 0.00 0.00 175.17 174.31 2jts s THR 43 N -2.40 2.97 -0.00 1.71 2.01 -1.23 -4.35 115.64 114.35 2jts s THR 43 Ca 0.66 0.98 0.01 0.00 0.31 0.00 0.00 61.69 63.65 2jts s THR 43 Cb -0.20 -3.62 -0.00 0.00 0.01 0.00 0.00 72.50 68.69 2jts s THR 43 CO 0.43 0.23 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.85 2jts s VAL 44 N -1.15 0.38 -0.03 3.82 1.01 -0.49 -2.26 120.40 121.68 2jts s VAL 44 Ca 0.47 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.24 2jts s VAL 44 Cb -0.37 -0.33 -0.00 0.00 0.00 0.00 0.00 36.38 35.68 2jts s VAL 44 CO 0.49 0.08 -0.13 -0.54 0.00 0.00 0.00 175.10 175.00 2jts s LYS 45 N -0.18 1.35 0.08 2.72 1.02 -0.12 -1.35 119.74 123.26 2jts s LYS 45 Ca 0.01 -0.46 0.08 0.00 0.02 0.00 0.00 55.97 55.63 2jts s LYS 45 Cb -0.02 -1.22 -0.03 0.00 -0.52 0.00 0.00 37.83 36.04 2jts s LYS 45 CO -0.00 0.18 -0.22 0.14 -0.92 0.00 0.00 175.35 174.53 2jts s VAL 46 N 0.10 1.81 0.17 3.17 -7.23 -0.95 -2.19 120.40 115.27 2jts s VAL 46 Ca -0.03 -1.42 -0.12 0.00 -1.81 0.00 0.00 61.98 58.60 2jts s VAL 46 Cb -0.10 -1.60 0.00 0.00 0.56 0.00 0.00 36.38 35.25 2jts s VAL 46 CO 0.01 0.10 0.35 -0.72 -0.31 0.00 0.00 175.10 174.54 2jts s TYR 47 N -0.97 0.22 0.08 2.82 1.13 -1.22 -0.60 117.35 118.80 2jts s TYR 47 Ca 0.08 -0.58 -0.26 0.00 -1.41 0.00 0.00 57.07 54.90 2jts s TYR 47 Cb -0.10 0.08 0.08 0.00 -1.10 0.00 0.00 41.96 40.92 2jts s TYR 47 CO 0.03 -0.77 0.66 0.00 -2.51 0.00 0.00 175.55 172.97 2jts h ASN 49 N 2.27 0.00 -3.31 0.00 -1.24 -1.94 0.44 115.58 111.80 2jts h ASN 49 Ca -0.30 0.00 -0.57 0.00 0.71 0.00 0.00 56.30 56.14 2jts h ASN 49 Cb 1.26 0.00 -0.40 0.00 0.73 0.00 0.00 38.32 39.91 2jts h ASN 49 CO 0.37 0.00 -0.76 0.00 -1.29 0.00 0.00 177.43 175.75 2jts s ALA 50 N -4.44 1.51 0.61 1.57 0.00 -1.26 -4.60 121.76 115.15 2jts s ALA 50 Ca -0.04 -1.34 0.33 0.00 0.00 0.00 0.00 51.96 50.91 2jts s ALA 50 Cb 0.13 -1.46 1.94 0.00 0.00 0.00 0.00 23.12 23.73 2jts s ALA 50 CO 0.46 -1.42 2.24 0.78 0.00 0.00 0.00 175.76 177.82 2jts h GLY 51 N 8.09 0.00 1.00 0.00 0.00 -1.79 0.03 103.07 110.41 2jts h GLY 51 Ca -0.15 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.24 2jts h GLY 51 CO 0.42 0.00 0.50 0.07 0.00 0.00 0.00 176.54 177.53 2jts h ARG 52 N 0.00 0.81 -0.21 4.80 0.11 -1.92 -1.36 114.38 116.60 2jts h ARG 52 Ca 0.02 -0.05 -0.18 0.00 0.10 0.00 0.00 59.98 59.87 2jts h ARG 52 Cb 0.14 -0.18 -0.00 0.00 1.11 0.00 0.00 29.97 31.03 2jts h ARG 52 CO -0.00 0.53 -0.58 1.96 0.10 0.00 0.00 179.97 181.99 2jts h GLN 53 N 0.83 0.68 0.00 0.08 4.20 -1.38 -0.69 115.11 118.82 2jts h GLN 53 Ca 0.33 -0.44 -0.06 0.00 0.06 0.00 0.00 58.65 58.54 2jts h GLN 53 Cb 0.23 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 2jts h GLN 53 CO -0.11 1.06 -0.29 0.66 -0.67 0.00 0.00 178.83 179.48 2jts h SER 54 N 0.51 0.00 -0.43 1.46 4.64 -1.59 -1.11 113.55 117.04 2jts h SER 54 Ca 0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 2jts h SER 54 Cb 1.15 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.21 2jts h SER 54 CO 0.12 0.29 0.24 1.23 -0.87 0.00 0.00 176.83 177.83 2jts h GLY 55 N 1.36 0.60 0.96 -0.77 0.00 -0.30 0.52 103.07 105.44 2jts h GLY 55 Ca -0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 2jts h GLY 55 CO 0.04 0.14 0.07 1.46 0.00 0.00 0.00 176.54 178.25 2jts h GLN 56 N 0.47 0.17 -0.85 4.80 4.20 -0.55 -2.47 115.11 120.88 2jts h GLN 56 Ca 0.18 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.91 2jts h GLN 56 Cb 0.05 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 27.75 2jts h GLN 56 CO -0.10 0.16 0.56 0.00 -0.67 0.00 0.00 178.83 178.78 2jts h ALA 57 N 1.00 1.49 -0.86 3.87 0.00 -0.97 -1.35 119.26 122.44 2jts h ALA 57 Ca 0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2jts h ALA 57 Cb 0.04 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 2jts h ALA 57 CO -0.01 0.41 0.45 -0.22 0.00 0.00 0.00 179.25 179.89 2jts h LYS 58 N 1.03 1.21 -0.19 0.00 3.11 -0.52 -0.32 116.57 120.89 2jts h LYS 58 Ca 0.34 -0.15 -0.14 0.00 -2.81 0.00 0.00 60.65 57.89 2jts h LYS 58 Cb 0.07 -0.23 -0.01 0.00 -1.00 0.00 0.00 32.23 31.06 2jts h LYS 58 CO -0.11 0.89 -0.49 0.93 -2.81 0.00 0.00 179.45 177.87 2jts h GLU 59 N 1.21 0.49 -0.24 1.90 4.39 -0.85 -0.63 114.58 120.86 2jts h GLU 59 Ca 0.30 -0.28 0.01 0.00 0.34 0.00 0.00 59.36 59.73 2jts h GLU 59 Cb 0.05 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 2jts h GLU 59 CO -0.05 0.87 0.12 0.82 -1.16 0.00 0.00 179.01 179.62 2jts h ILE 60 N 0.39 1.00 -0.22 3.13 2.04 -0.55 -0.25 117.51 123.06 2jts h ILE 60 Ca 0.02 -0.09 -0.08 0.00 1.00 0.00 0.00 64.86 65.71 2jts h ILE 60 Cb 1.00 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 2jts h ILE 60 CO 0.09 0.05 -0.23 -0.07 0.00 0.00 0.00 178.15 177.99 2jts h LEU 61 N 0.26 0.40 -0.72 1.44 3.38 -0.88 -0.60 115.31 118.60 2jts h LEU 61 Ca 0.10 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 2jts h LEU 61 Cb 0.02 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2jts h LEU 61 CO -0.06 0.64 0.04 0.28 0.09 0.00 0.00 178.44 179.43 2jts h SER 62 N 0.37 0.99 -0.27 -0.43 0.02 -0.78 -1.65 113.55 111.80 2jts h SER 62 Ca 0.06 -0.26 -0.08 0.00 -0.84 0.00 0.00 61.79 60.67 2jts h SER 62 Cb 0.60 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 2jts h SER 62 CO 0.04 1.02 -0.11 -0.08 -1.14 0.00 0.00 176.83 176.56 2jts h GLU 63 N 0.95 0.68 0.00 3.45 4.57 -0.39 -0.75 114.58 123.08 2jts h GLU 63 Ca 0.18 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2jts h GLU 63 Cb 0.49 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 2jts h GLU 63 CO 0.02 0.77 0.00 -1.33 -1.18 0.00 0.00 179.01 177.29 2jts n MET 64 N -4.18 0.28 -0.68 1.92 2.81 -0.29 -4.88 117.12 112.10 2jts n MET 64 Ca 0.01 0.11 0.00 0.00 -1.81 0.00 0.00 57.70 56.01 2jts n MET 64 Cb 0.35 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.36 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 -0.10 0.62 3.71 3.03 0.00 -0.29 -5.03 105.19 107.13 2jts n GLY 65 Ca 0.08 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 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 3.20 -0.30 1.61 1.51 -0.67 -4.85 117.35 115.84 2jts s TYR 66 Ca 0.00 0.97 0.23 0.00 -1.01 0.00 0.00 57.07 57.26 2jts s TYR 66 Cb 0.00 -3.65 0.00 0.00 -0.11 0.00 0.00 41.96 38.21 2jts s TYR 66 CO 0.00 -2.26 1.00 0.25 -1.11 0.00 0.00 175.55 173.43 2jts n THR 67 N 4.07 0.46 -2.51 -0.71 -2.24 -1.00 -4.40 114.28 107.95 2jts n THR 67 Ca 0.11 -0.47 -0.10 0.00 -2.27 0.00 0.00 64.05 61.32 2jts n THR 67 Cb 0.43 -0.20 0.04 0.00 -2.10 0.00 0.00 70.33 68.49 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 -2.47 1.87 -2.80 4.78 8.25 -1.26 -5.06 115.22 118.53 2jts n HIS 68 Ca 0.00 -2.21 -0.33 0.00 -0.26 0.00 0.00 57.72 54.92 2jts n HIS 68 Cb 0.53 -0.27 -0.07 0.00 1.12 0.00 0.00 29.99 31.29 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 -4.13 4.35 -0.04 1.59 1.01 -1.26 -1.39 120.40 120.52 2jts s VAL 69 Ca 0.37 1.51 -0.05 0.00 0.00 0.00 0.00 61.98 63.80 2jts s VAL 69 Cb 0.36 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 33.12 2jts s VAL 69 CO -0.01 -0.27 0.14 -0.70 0.00 0.00 0.00 175.10 174.25 2jts s GLU 70 N -3.07 0.23 -0.53 2.72 2.56 -0.46 -4.93 118.70 115.22 2jts s GLU 70 Ca 0.61 0.07 -0.24 0.00 0.00 0.00 0.00 54.97 55.40 2jts s GLU 70 Cb -0.10 0.10 0.04 0.00 2.00 0.00 0.00 34.13 36.17 2jts s GLU 70 CO 0.14 -0.04 0.92 1.21 -0.56 0.00 0.00 175.26 176.94 2jts s ASN 71 N -0.23 6.37 0.46 -1.70 2.47 -1.26 -2.25 114.94 118.80 2jts s ASN 71 Ca -0.03 -0.26 0.23 0.00 0.42 0.00 0.00 52.86 53.22 2jts s ASN 71 Cb -0.02 -2.43 1.13 0.00 -1.45 0.00 0.00 41.25 38.47 2jts s ASN 71 CO 0.00 -1.17 1.94 0.00 -3.72 0.00 0.00 177.10 174.16 2jts h ALA 72 N 9.25 1.23 0.00 1.71 0.00 -1.23 -3.48 119.26 126.73 2jts h ALA 72 Ca -0.26 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2jts h ALA 72 Cb 1.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2jts h ALA 72 CO 1.07 0.26 0.00 0.41 0.00 0.00 0.00 179.25 180.99 2jts n GLY 73 N -0.39 0.41 3.76 0.00 0.00 -1.26 -4.71 105.19 103.00 2jts n GLY 73 Ca -0.01 -2.27 -0.35 0.00 0.00 0.00 0.00 46.02 43.39 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 2.52 0.26 -0.02 0.00 -1.26 -3.07 107.32 105.76 2jts s GLY 74 Ca 0.00 0.82 -0.02 0.00 0.00 0.00 0.00 44.72 45.53 2jts s GLY 74 CO 0.00 1.19 1.68 -2.00 0.00 0.00 0.00 173.10 173.97 2jts h LEU 75 N 0.64 0.06 -1.32 0.66 6.46 -1.15 0.23 115.31 120.90 2jts h LEU 75 Ca -0.49 0.16 -0.05 0.00 -0.12 0.00 0.00 57.88 57.38 2jts h LEU 75 Cb 1.27 0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 41.40 2jts h LEU 75 CO 0.55 -0.06 -0.07 0.50 -0.62 0.00 0.00 178.44 178.74 2jts h LYS 76 N 0.28 0.37 -0.00 1.25 1.63 -1.92 -3.11 116.57 115.08 2jts h LYS 76 Ca 0.48 -0.08 -0.13 0.00 -0.85 0.00 0.00 60.65 60.06 2jts h LYS 76 Cb 0.87 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.43 2jts h LYS 76 CO -0.56 0.46 -0.62 0.22 -3.45 0.00 0.00 179.45 175.50 2jts h ASP 77 N 0.36 0.00 -0.95 4.20 3.58 -1.30 -3.37 116.42 118.94 2jts h ASP 77 Ca 0.08 -0.00 -0.37 0.00 0.42 0.00 0.00 57.03 57.15 2jts h ASP 77 Cb 0.35 -0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.35 2jts h ASP 77 CO 0.02 0.62 0.94 -0.63 -2.88 0.00 0.00 179.24 177.30 2jts s ILE 78 N -3.61 3.53 -0.36 2.25 1.09 -1.18 -4.83 121.20 118.10 2jts s ILE 78 Ca -0.01 -0.36 0.00 0.00 -1.10 0.00 0.00 60.65 59.18 2jts s ILE 78 Cb 0.13 -4.20 0.00 0.00 -1.06 0.00 0.00 42.46 37.33 2jts s ILE 78 CO 0.76 -1.13 0.67 0.00 -0.10 0.00 0.00 174.94 175.14 2jts n ALA 79 N 12.87 2.28 -1.74 9.38 0.00 -1.26 -4.84 120.51 137.20 2jts n ALA 79 Ca 0.36 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.49 2jts n ALA 79 Cb 0.48 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 18.95 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 -0.24 3.37 0.73 0.00 -1.94 -1.26 -5.05 119.30 114.92 2jts s MET 80 Ca 0.00 0.89 -0.16 0.00 -1.71 0.00 0.00 55.69 54.71 2jts s MET 80 Cb 0.00 -2.05 -0.02 0.00 2.01 0.00 0.00 34.83 34.77 2jts s MET 80 CO 0.00 -0.75 0.62 -2.30 -0.01 0.00 0.00 175.02 172.58 2jts n PRO 81 N -2.69 0.30 -4.04 2.03 -0.02 -1.26 -4.86 135.00 124.46 2jts n PRO 81 Ca 0.07 0.15 -0.09 0.00 -2.02 0.00 0.00 63.50 61.60 2jts n PRO 81 Cb 0.54 -1.92 -0.11 0.00 -0.02 0.00 0.00 33.50 31.99 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 -2.94 0.48 0.07 -0.52 1.02 -1.26 -1.18 119.74 115.41 2jts s LYS 82 Ca 0.67 -0.88 -0.15 0.00 0.02 0.00 0.00 55.97 55.62 2jts s LYS 82 Cb -0.34 0.05 0.03 0.00 -0.52 0.00 0.00 37.83 37.04 2jts s LYS 82 CO 0.57 -0.05 0.36 0.54 -0.92 0.00 0.00 175.35 175.85 2jts s VAL 83 N -2.38 0.07 0.61 3.17 0.11 -0.59 -4.88 120.40 116.52 2jts s VAL 83 Ca -0.06 -0.62 -0.17 0.00 -2.93 0.00 0.00 61.98 58.20 2jts s VAL 83 Cb -0.03 -1.04 -0.02 0.00 -1.53 0.00 0.00 36.38 33.75 2jts s VAL 83 CO -0.04 -0.34 1.14 -0.75 -3.33 0.00 0.00 175.10 171.79 2jts s LYS 84 N -2.99 2.97 0.00 1.54 2.36 -1.25 -0.88 119.74 121.50 2jts s LYS 84 Ca -0.02 1.59 0.00 0.00 -2.55 0.00 0.00 55.97 54.99 2jts s LYS 84 Cb 0.00 -1.95 0.00 0.00 -1.05 0.00 0.00 37.83 34.83 2jts s LYS 84 CO -0.06 -1.15 0.00 0.41 1.55 0.00 0.00 175.35 176.09