#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 0.45 0.05 0.00 2.02 -1.26 -3.41 118.70 116.55 2jts s GLU 2 Ca 0.00 -0.71 -0.02 0.00 0.02 0.00 0.00 54.97 54.26 2jts s GLU 2 Cb 0.00 0.17 -0.03 0.00 0.10 0.00 0.00 34.13 34.37 2jts s GLU 2 CO 0.00 -0.09 0.01 -1.01 0.02 0.00 0.00 175.26 174.19 2jts s HIS 3 N -2.10 0.43 0.04 1.61 3.76 -0.72 -4.98 115.29 113.34 2jts s HIS 3 Ca -0.10 -0.94 0.05 0.00 -0.15 0.00 0.00 55.06 53.92 2jts s HIS 3 Cb -0.05 -0.32 -0.02 0.00 1.11 0.00 0.00 32.58 33.30 2jts s HIS 3 CO -0.03 -0.40 -0.14 -1.58 -0.85 0.00 0.00 174.74 171.74 2jts s TRP 4 N -3.77 1.26 -0.10 1.40 0.52 -1.26 -0.83 118.94 116.17 2jts s TRP 4 Ca 0.05 -0.35 -0.07 0.00 0.02 0.00 0.00 56.10 55.75 2jts s TRP 4 Cb 0.06 -0.75 0.03 0.00 -1.15 0.00 0.00 33.47 31.67 2jts s TRP 4 CO -0.10 0.04 0.24 0.42 0.02 0.00 0.00 176.95 177.57 2jts s ILE 5 N -0.84 -0.02 -0.18 2.03 1.01 -0.74 -3.83 121.20 118.62 2jts s ILE 5 Ca 0.02 0.07 -0.20 0.00 0.00 0.00 0.00 60.65 60.54 2jts s ILE 5 Cb -0.08 -0.35 -0.03 0.00 0.01 0.00 0.00 42.46 42.01 2jts s ILE 5 CO 0.01 0.03 0.58 -0.62 0.00 0.00 0.00 174.94 174.94 2jts s ASP 6 N 0.64 6.66 -0.16 3.58 2.15 -0.21 -3.49 116.67 125.83 2jts s ASP 6 Ca -0.04 0.80 0.17 0.00 0.43 0.00 0.00 52.55 53.91 2jts s ASP 6 Cb -0.06 -2.33 0.41 0.00 -0.30 0.00 0.00 42.92 40.65 2jts s ASP 6 CO -0.04 -0.20 1.29 1.33 -0.17 0.00 0.00 175.17 177.38 2jts n VAL 7 N 4.48 2.12 -3.28 1.11 0.24 -1.20 -0.53 118.33 121.27 2jts n VAL 7 Ca -0.03 -2.18 -0.01 0.00 -2.04 0.00 0.00 64.34 60.07 2jts n VAL 7 Cb 0.50 -0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.62 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 -1.02 1.23 -1.34 7.34 0.63 -1.26 -0.54 116.66 121.70 2jts n ARG 8 Ca 0.20 -0.19 -0.32 0.00 -0.92 0.00 0.00 57.85 56.61 2jts n ARG 8 Cb 0.78 0.00 0.09 0.00 0.45 0.00 0.00 32.46 33.78 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 0.29 2.88 0.23 5.15 -7.23 -1.26 -4.02 120.40 116.44 2jts s VAL 9 Ca 0.03 0.35 0.20 0.00 -1.81 0.00 0.00 61.98 60.75 2jts s VAL 9 Cb -0.00 -2.78 0.20 0.00 0.56 0.00 0.00 36.38 34.36 2jts s VAL 9 CO 0.02 -0.31 1.57 -0.65 -0.31 0.00 0.00 175.10 175.41 2jts h PRO 10 N -0.75 0.00 -0.92 4.82 0.11 -1.98 -3.02 132.00 130.26 2jts h PRO 10 Ca -0.45 0.00 0.20 0.00 0.11 0.00 0.00 66.00 65.86 2jts h PRO 10 Cb 1.25 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.25 2jts h PRO 10 CO 0.50 0.00 0.48 1.49 -0.21 0.00 0.00 178.00 180.26 2jts h GLU 11 N 0.00 0.55 -0.01 1.05 4.81 -2.01 0.16 114.58 119.13 2jts h GLU 11 Ca 0.00 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.07 2jts h GLU 11 Cb 0.56 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 29.82 2jts h GLU 11 CO 0.00 0.37 -0.49 -0.56 -0.73 0.00 0.00 179.01 177.60 2jts h GLN 12 N 0.57 0.35 -0.95 1.92 3.07 -1.85 -3.33 115.11 114.90 2jts h GLN 12 Ca 0.55 -0.36 0.13 0.00 0.09 0.00 0.00 58.65 59.06 2jts h GLN 12 Cb 0.94 0.10 -0.08 0.00 0.08 0.00 0.00 27.48 28.52 2jts h GLN 12 CO -0.44 1.04 0.60 -0.92 0.09 0.00 0.00 178.83 179.20 2jts h TYR 13 N -0.19 0.99 0.07 0.06 3.20 -1.28 -0.04 116.97 119.77 2jts h TYR 13 Ca -0.06 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.84 2jts h TYR 13 Cb 1.20 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.16 2jts h TYR 13 CO 0.15 0.38 -0.03 1.96 -1.64 0.00 0.00 178.16 178.97 2jts h GLN 14 N 0.84 -0.09 0.18 1.82 4.20 -1.17 -3.03 115.11 117.87 2jts h GLN 14 Ca 0.47 0.01 -0.33 0.00 0.06 0.00 0.00 58.65 58.86 2jts h GLN 14 Cb 0.60 0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.41 2jts h GLN 14 CO -0.24 -0.05 -1.62 -0.56 -0.67 0.00 0.00 178.83 175.68 2jts h GLN 15 N -0.10 0.38 -1.56 1.46 3.07 -1.29 -0.98 115.11 116.09 2jts h GLN 15 Ca -0.01 -0.64 0.07 0.00 0.09 0.00 0.00 58.65 58.16 2jts h GLN 15 Cb 0.08 0.24 -0.27 0.00 0.08 0.00 0.00 27.48 27.61 2jts h GLN 15 CO 0.02 1.28 0.48 -1.83 0.09 0.00 0.00 178.83 178.86 2jts s GLU 16 N -2.60 0.46 0.03 0.06 -1.05 -0.17 -4.77 118.70 110.66 2jts s GLU 16 Ca -0.12 0.56 0.03 0.00 -0.15 0.00 0.00 54.97 55.29 2jts s GLU 16 Cb 0.06 0.22 -0.02 0.00 -0.44 0.00 0.00 34.13 33.95 2jts s GLU 16 CO 0.87 -0.06 -0.08 -3.38 0.95 0.00 0.00 175.26 173.56 2jts s HIS 17 N 0.28 0.71 0.27 4.83 -3.43 0.24 -4.09 115.29 114.11 2jts s HIS 17 Ca 0.03 -0.33 -0.31 0.00 -0.80 0.00 0.00 55.06 53.65 2jts s HIS 17 Cb -0.05 -0.43 -0.12 0.00 -1.43 0.00 0.00 32.58 30.55 2jts s HIS 17 CO -0.08 -0.03 1.59 0.28 -2.00 0.00 0.00 174.74 174.50 2jts n VAL 18 N 2.06 0.79 -1.70 -5.38 0.31 -1.26 -0.59 118.33 112.56 2jts n VAL 18 Ca -0.18 -0.20 -0.41 0.00 -0.01 0.00 0.00 64.34 63.54 2jts n VAL 18 Cb 0.56 -1.88 0.01 0.00 -0.91 0.00 0.00 33.84 31.62 2jts n VAL 18 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jts n GLN 19 N 2.51 1.93 0.00 5.55 -0.00 -0.82 -2.02 117.38 124.53 2jts n GLN 19 Ca 0.11 0.69 0.00 0.00 -0.00 0.00 0.00 57.00 57.79 2jts n GLN 19 Cb 0.35 -2.38 0.00 0.00 -0.00 0.00 0.00 30.24 28.21 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 0.81 2.96 3.70 2.61 0.00 -1.26 -4.93 105.19 109.08 2jts n GLY 20 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.75 1.50 -0.08 4.61 0.00 -0.85 -4.35 121.76 120.84 2jts s ALA 21 Ca 0.00 0.11 -0.07 0.00 0.00 0.00 0.00 51.96 52.00 2jts s ALA 21 Cb 0.00 -3.26 0.02 0.00 0.00 0.00 0.00 23.12 19.89 2jts s ALA 21 CO 0.00 -2.42 0.21 0.96 0.00 0.00 0.00 175.76 174.50 2jts s ILE 22 N -2.84 -0.01 -0.32 0.00 -4.36 -1.25 -4.89 121.20 107.54 2jts s ILE 22 Ca 0.64 0.03 -0.29 0.00 -0.26 0.00 0.00 60.65 60.77 2jts s ILE 22 Cb -0.19 -0.30 0.01 0.00 1.25 0.00 0.00 42.46 43.22 2jts s ILE 22 CO 0.58 0.01 1.26 0.21 0.24 0.00 0.00 174.94 177.24 2jts s ASN 23 N 0.33 6.70 -0.38 4.36 3.84 -1.26 -1.05 114.94 127.47 2jts s ASN 23 Ca -0.02 1.11 0.02 0.00 0.21 0.00 0.00 52.86 54.19 2jts s ASN 23 Cb -0.03 -2.54 0.16 0.00 -0.55 0.00 0.00 41.25 38.28 2jts s ASN 23 CO -0.01 -1.08 0.29 -0.63 -2.79 0.00 0.00 177.10 172.88 2jts s ILE 24 N 4.31 0.15 0.85 -5.21 1.01 0.31 -4.97 121.20 117.66 2jts s ILE 24 Ca 0.54 -2.04 -0.14 0.00 0.00 0.00 0.00 60.65 59.01 2jts s ILE 24 Cb -0.15 -1.11 0.03 0.00 0.01 0.00 0.00 42.46 41.25 2jts s ILE 24 CO 0.23 -1.04 0.68 -2.65 0.00 0.00 0.00 174.94 172.15 2jts n PRO 25 N 3.51 -0.03 -0.33 2.79 -0.02 -1.26 -4.17 135.00 135.49 2jts n PRO 25 Ca 0.20 0.05 0.18 0.00 -2.02 0.00 0.00 63.50 61.91 2jts n PRO 25 Cb 0.43 -2.02 0.39 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 -1.11 0.47 -0.07 2.45 5.85 -1.08 0.14 115.31 121.96 2jts h LEU 26 Ca -0.45 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.44 2jts h LEU 26 Cb 1.30 0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.45 2jts h LEU 26 CO 0.40 -0.03 0.00 0.29 -0.34 0.00 0.00 178.44 178.76 2jts n LYS 27 N -5.01 0.03 0.00 1.25 4.76 -1.26 -3.75 118.16 114.17 2jts n LYS 27 Ca 0.27 0.19 0.00 0.00 -2.87 0.00 0.00 58.31 55.90 2jts n LYS 27 Cb 0.80 -1.56 0.00 0.00 -1.84 0.00 0.00 35.03 32.43 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 -1.62 1.42 -0.22 1.97 -0.58 0.30 -4.75 120.64 117.16 2jts n GLU 28 Ca 0.05 0.00 0.23 0.00 -0.42 0.00 0.00 57.16 57.02 2jts n GLU 28 Cb 0.24 -0.91 0.59 0.00 -0.57 0.00 0.00 31.44 30.80 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 0.62 -0.73 2.62 3.04 -1.11 -2.92 116.25 117.76 2jts h VAL 29 Ca 0.00 -0.09 0.10 0.00 -1.01 0.00 0.00 66.70 65.70 2jts h VAL 29 Cb 0.12 0.35 -0.07 0.00 -2.01 0.00 0.00 31.29 29.67 2jts h VAL 29 CO 0.00 0.05 0.36 0.50 -1.01 0.00 0.00 177.57 177.47 2jts h LYS 30 N 0.25 0.60 0.04 4.17 3.11 -1.85 -1.40 116.57 121.48 2jts h LYS 30 Ca 0.46 -0.04 -0.35 0.00 -2.81 0.00 0.00 60.65 57.92 2jts h LYS 30 Cb 1.40 -0.13 -0.04 0.00 -1.00 0.00 0.00 32.23 32.46 2jts h LYS 30 CO -0.12 0.39 -1.94 0.39 -2.81 0.00 0.00 179.45 175.36 2jts n GLU 31 N -4.86 0.64 0.24 1.90 4.71 -1.14 -4.51 120.64 117.61 2jts n GLU 31 Ca 0.11 0.35 0.16 0.00 -0.01 0.00 0.00 57.16 57.78 2jts n GLU 31 Cb 0.28 -1.65 0.74 0.00 -1.01 0.00 0.00 31.44 29.81 2jts n GLU 31 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2jts h ARG 32 N -0.54 0.00 -0.90 3.49 3.08 -1.36 -1.87 114.38 116.27 2jts h ARG 32 Ca -0.49 0.00 0.17 0.00 0.07 0.00 0.00 59.98 59.74 2jts h ARG 32 Cb 1.67 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.65 2jts h ARG 32 CO -0.15 0.00 0.58 0.97 -1.07 0.00 0.00 179.97 180.30 2jts h ILE 33 N 0.00 0.76 -0.61 2.04 6.09 -1.49 -1.30 117.51 123.00 2jts h ILE 33 Ca 0.00 -0.20 -0.06 0.00 -1.37 0.00 0.00 64.86 63.23 2jts h ILE 33 Cb 0.28 0.13 -0.02 0.00 0.47 0.00 0.00 36.82 37.68 2jts h ILE 33 CO 0.00 0.11 0.15 0.00 -3.07 0.00 0.00 178.15 175.34 2jts h ALA 34 N 1.61 0.80 -0.09 0.18 0.00 -1.57 0.11 119.26 120.30 2jts h ALA 34 Ca 0.47 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.97 2jts h ALA 34 Cb 0.92 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2jts h ALA 34 CO -0.21 0.50 -0.70 1.79 0.00 0.00 0.00 179.25 180.64 2jts h THR 35 N 0.88 1.37 -0.35 0.00 1.35 -1.65 -3.04 112.91 111.47 2jts h THR 35 Ca 0.19 -2.08 -0.10 0.00 -0.55 0.00 0.00 66.41 63.87 2jts h THR 35 Cb 0.34 2.06 -0.01 0.00 -1.73 0.00 0.00 68.15 68.81 2jts h THR 35 CO 0.00 0.63 -0.18 0.00 -0.25 0.00 0.00 175.52 175.71 2jts h ALA 36 N 0.96 0.50 -2.38 6.62 0.00 -0.74 -3.41 119.26 120.82 2jts h ALA 36 Ca -0.02 -0.36 -0.53 0.00 0.00 0.00 0.00 54.91 54.00 2jts h ALA 36 Cb 1.26 -0.12 -0.37 0.00 0.00 0.00 0.00 17.79 18.56 2jts h ALA 36 CO 0.12 0.44 -0.83 0.08 0.00 0.00 0.00 179.25 179.05 2jts s VAL 37 N -4.60 0.05 -0.82 0.00 1.01 0.33 -5.03 120.40 111.33 2jts s VAL 37 Ca -0.12 -1.72 0.00 0.00 0.00 0.00 0.00 61.98 60.14 2jts s VAL 37 Cb 0.10 -1.02 0.00 0.00 0.00 0.00 0.00 36.38 35.46 2jts s VAL 37 CO 0.82 -0.93 0.44 -0.81 0.00 0.00 0.00 175.10 174.62 2jts n PRO 38 N 3.84 0.74 -3.49 2.72 -0.04 -1.15 -4.31 135.00 133.32 2jts n PRO 38 Ca 0.15 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.40 2jts n PRO 38 Cb 0.41 -1.33 -0.13 0.00 -0.04 0.00 0.00 33.50 32.41 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 -0.03 2.06 0.05 3.54 2.15 -1.26 -5.04 116.67 118.14 2jts s ASP 39 Ca 0.00 -0.67 0.12 0.00 0.43 0.00 0.00 52.55 52.43 2jts s ASP 39 Cb 0.00 0.19 0.53 0.00 -0.30 0.00 0.00 42.92 43.34 2jts s ASP 39 CO 0.00 -0.37 1.38 2.29 -0.17 0.00 0.00 175.17 178.30 2jts n LYS 40 N 5.30 0.03 0.07 4.34 2.85 -1.26 -1.63 118.16 127.86 2jts n LYS 40 Ca -0.05 0.36 0.13 0.00 -1.05 0.00 0.00 58.31 57.70 2jts n LYS 40 Cb 0.47 -1.57 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 -1.71 -0.05 0.00 0.00 177.40 175.64 2jts n ASN 41 N -1.62 0.62 -4.79 -5.58 4.05 -1.26 -2.48 115.26 104.20 2jts n ASN 41 Ca 0.02 0.41 -0.33 0.00 0.45 0.00 0.00 54.58 55.13 2jts n ASN 41 Cb 0.13 -0.47 0.02 0.00 1.23 0.00 0.00 39.78 40.68 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 -4.09 5.58 0.23 1.20 2.15 -0.64 -4.59 116.67 116.51 2jts s ASP 42 Ca 0.10 1.91 -0.30 0.00 0.43 0.00 0.00 52.55 54.70 2jts s ASP 42 Cb 0.14 -2.54 -0.09 0.00 -0.30 0.00 0.00 42.92 40.13 2jts s ASP 42 CO 0.62 -1.31 1.20 -0.89 -0.17 0.00 0.00 175.17 174.62 2jts s THR 43 N -2.34 3.39 -0.01 1.71 2.01 -1.22 -4.39 115.64 114.78 2jts s THR 43 Ca 0.66 1.25 0.01 0.00 0.31 0.00 0.00 61.69 63.91 2jts s THR 43 Cb -0.18 -3.79 0.01 0.00 0.01 0.00 0.00 72.50 68.54 2jts s THR 43 CO 0.37 0.24 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.83 2jts s VAL 44 N -0.47 0.22 -0.13 3.82 1.01 -0.55 -1.75 120.40 122.55 2jts s VAL 44 Ca 0.51 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.45 2jts s VAL 44 Cb -0.34 -0.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.80 2jts s VAL 44 CO 0.40 0.10 -0.16 -0.54 0.00 0.00 0.00 175.10 174.90 2jts s LYS 45 N 0.38 3.27 0.06 2.72 1.02 -0.01 -1.39 119.74 125.78 2jts s LYS 45 Ca -0.04 -0.74 0.09 0.00 0.02 0.00 0.00 55.97 55.30 2jts s LYS 45 Cb -0.06 -2.56 -0.03 0.00 -0.52 0.00 0.00 37.83 34.65 2jts s LYS 45 CO -0.01 0.15 -0.26 0.14 -0.92 0.00 0.00 175.35 174.45 2jts s VAL 46 N 0.48 2.11 0.10 3.17 -7.23 -0.55 -1.79 120.40 116.70 2jts s VAL 46 Ca -0.11 -1.43 -0.12 0.00 -1.81 0.00 0.00 61.98 58.50 2jts s VAL 46 Cb -0.16 -1.82 0.02 0.00 0.56 0.00 0.00 36.38 34.97 2jts s VAL 46 CO 0.05 0.31 0.29 -0.72 -0.31 0.00 0.00 175.10 174.72 2jts s TYR 47 N -0.85 -0.03 0.24 2.82 1.13 -1.23 -1.44 117.35 118.00 2jts s TYR 47 Ca 0.12 -0.33 -0.19 0.00 -1.41 0.00 0.00 57.07 55.26 2jts s TYR 47 Cb -0.10 0.10 0.02 0.00 -1.10 0.00 0.00 41.96 40.88 2jts s TYR 47 CO 0.03 -0.62 0.61 0.00 -2.51 0.00 0.00 175.55 173.06 2jts h ASN 49 N 2.10 0.01 0.00 0.00 -1.24 -1.93 0.94 115.58 115.47 2jts h ASN 49 Ca -0.25 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.77 2jts h ASN 49 Cb 1.26 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.31 2jts h ASN 49 CO 0.31 -0.00 0.00 0.00 -1.29 0.00 0.00 177.43 176.45 2jts n ALA 50 N -2.79 1.49 0.00 1.57 0.00 -1.26 -4.35 120.51 115.17 2jts n ALA 50 Ca 0.29 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 53.07 2jts n ALA 50 Cb 1.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.84 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 -0.21 0.93 0.20 0.00 0.00 -0.77 -4.69 105.19 100.64 2jts n GLY 51 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 0.17 -0.54 1.61 9.65 -1.89 -0.50 114.38 122.87 2jts h ARG 52 Ca 0.00 -0.01 -0.07 0.00 -1.10 0.00 0.00 59.98 58.80 2jts h ARG 52 Cb 0.00 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.52 2jts h ARG 52 CO 0.00 0.11 0.05 1.96 2.80 0.00 0.00 179.97 184.89 2jts h GLN 53 N 0.18 0.89 -0.04 0.20 7.50 -1.92 -0.28 115.11 121.63 2jts h GLN 53 Ca 0.25 -0.23 -0.10 0.00 0.50 0.00 0.00 58.65 59.07 2jts h GLN 53 Cb 0.36 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 27.77 2jts h GLN 53 CO -0.37 0.86 -0.44 0.66 -1.50 0.00 0.00 178.83 178.03 2jts h SER 54 N 0.84 0.10 -0.60 1.46 4.64 -1.71 -1.46 113.55 116.81 2jts h SER 54 Ca 0.17 -0.04 0.03 0.00 -0.47 0.00 0.00 61.79 61.47 2jts h SER 54 Cb 0.43 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 62.45 2jts h SER 54 CO 0.01 0.53 0.37 1.23 -0.87 0.00 0.00 176.83 178.11 2jts h GLY 55 N 1.32 0.86 0.95 -0.77 0.00 0.50 0.10 103.07 106.03 2jts h GLY 55 Ca 0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 2jts h GLY 55 CO 0.06 0.23 0.03 1.46 0.00 0.00 0.00 176.54 178.32 2jts h GLN 56 N 0.73 0.07 -0.97 4.80 4.20 -0.73 -2.19 115.11 121.01 2jts h GLN 56 Ca 0.24 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 59.01 2jts h GLN 56 Cb 0.02 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 27.72 2jts h GLN 56 CO -0.10 0.10 0.62 0.00 -0.67 0.00 0.00 178.83 178.78 2jts h ALA 57 N 0.97 1.35 -0.69 3.87 0.00 -0.99 -1.29 119.26 122.47 2jts h ALA 57 Ca 0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2jts h ALA 57 Cb 0.05 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2jts h ALA 57 CO -0.00 0.40 0.32 -0.22 0.00 0.00 0.00 179.25 179.76 2jts h LYS 58 N 1.13 0.99 -0.10 0.00 3.11 -0.43 -0.52 116.57 120.75 2jts h LYS 58 Ca 0.42 -0.14 -0.17 0.00 -2.81 0.00 0.00 60.65 57.95 2jts h LYS 58 Cb 0.17 -0.18 -0.01 0.00 -1.00 0.00 0.00 32.23 31.22 2jts h LYS 58 CO -0.18 0.77 -0.67 0.93 -2.81 0.00 0.00 179.45 177.49 2jts h GLU 59 N 0.98 0.40 -0.35 1.90 4.39 -0.67 0.01 114.58 121.24 2jts h GLU 59 Ca 0.24 -0.30 0.03 0.00 0.34 0.00 0.00 59.36 59.67 2jts h GLU 59 Cb 0.11 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 2jts h GLU 59 CO -0.03 0.93 0.15 0.82 -1.16 0.00 0.00 179.01 179.72 2jts h ILE 60 N 0.29 0.94 0.00 3.13 2.04 -0.58 -0.88 117.51 122.45 2jts h ILE 60 Ca -0.02 -0.11 -0.11 0.00 1.00 0.00 0.00 64.86 65.62 2jts h ILE 60 Cb 1.22 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 2jts h ILE 60 CO 0.11 0.06 -0.52 -0.07 0.00 0.00 0.00 178.15 177.73 2jts h LEU 61 N 0.32 0.00 -0.81 1.44 3.38 -0.92 -1.12 115.31 117.59 2jts h LEU 61 Ca 0.15 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 2jts h LEU 61 Cb 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2jts h LEU 61 CO -0.13 0.52 0.00 0.28 0.09 0.00 0.00 178.44 179.20 2jts h SER 62 N 0.00 0.87 -0.23 -0.43 0.02 -0.60 -0.97 113.55 112.20 2jts h SER 62 Ca -0.01 -0.22 -0.09 0.00 -0.84 0.00 0.00 61.79 60.63 2jts h SER 62 Cb 0.92 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 2jts h SER 62 CO 0.07 0.93 -0.15 -0.08 -1.14 0.00 0.00 176.83 176.46 2jts h GLU 63 N 0.83 0.65 0.00 3.45 4.57 -0.54 -0.86 114.58 122.68 2jts h GLU 63 Ca 0.16 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 2jts h GLU 63 Cb 0.49 -0.05 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 0.00 179.01 177.30 2jts n MET 64 N -4.16 0.19 -0.55 1.92 2.81 -0.48 -4.88 117.12 111.96 2jts n MET 64 Ca 0.01 0.16 0.00 0.00 -1.81 0.00 0.00 57.70 56.06 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 -0.14 0.71 3.70 3.03 0.00 -0.33 -5.04 105.19 107.13 2jts n GLY 65 Ca 0.06 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 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 2.94 -0.20 1.61 1.51 -0.44 -4.87 117.35 115.89 2jts s TYR 66 Ca 0.00 0.72 0.20 0.00 -1.01 0.00 0.00 57.07 56.99 2jts s TYR 66 Cb 0.00 -3.79 -0.03 0.00 -0.11 0.00 0.00 41.96 38.03 2jts s TYR 66 CO 0.00 -2.92 1.00 1.79 -1.11 0.00 0.00 175.55 174.32 2jts h THR 67 N 4.48 0.18 -0.19 -0.71 1.35 -1.79 -3.40 112.91 112.83 2jts h THR 67 Ca -0.41 -1.35 -0.20 0.00 -0.55 0.00 0.00 66.41 63.90 2jts h THR 67 Cb 1.20 1.71 -0.30 0.00 -1.73 0.00 0.00 68.15 69.03 2jts h THR 67 CO 0.90 0.10 -0.90 1.41 -0.25 0.00 0.00 175.52 176.78 2jts n HIS 68 N -2.78 0.63 -2.72 4.73 8.25 -1.26 -5.03 115.22 117.04 2jts n HIS 68 Ca -0.03 -1.32 -0.41 0.00 -0.26 0.00 0.00 57.72 55.70 2jts n HIS 68 Cb 0.65 -0.22 -0.05 0.00 1.12 0.00 0.00 29.99 31.49 2jts n HIS 68 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2jts s VAL 69 N -2.21 4.27 -0.04 1.59 -7.23 -1.26 -1.48 120.40 114.04 2jts s VAL 69 Ca 0.36 2.04 -0.07 0.00 -1.81 0.00 0.00 61.98 62.49 2jts s VAL 69 Cb 0.37 -4.30 0.01 0.00 0.56 0.00 0.00 36.38 33.03 2jts s VAL 69 CO -0.09 0.39 0.17 -0.70 -0.31 0.00 0.00 175.10 174.56 2jts s GLU 70 N -0.52 0.33 -0.45 4.82 2.56 -0.49 -4.95 118.70 120.00 2jts s GLU 70 Ca 0.45 -0.01 -0.26 0.00 0.00 0.00 0.00 54.97 55.14 2jts s GLU 70 Cb -0.25 0.15 0.03 0.00 2.00 0.00 0.00 34.13 36.05 2jts s GLU 70 CO 0.31 -0.06 0.98 1.21 -0.56 0.00 0.00 175.26 177.13 2jts s ASN 71 N -0.52 6.55 0.43 -1.70 3.04 -1.26 -1.49 114.94 120.00 2jts s ASN 71 Ca -0.06 0.26 0.15 0.00 0.04 0.00 0.00 52.86 53.24 2jts s ASN 71 Cb -0.04 -2.48 0.94 0.00 -1.54 0.00 0.00 41.25 38.14 2jts s ASN 71 CO 0.01 -1.07 1.94 0.00 -3.04 0.00 0.00 177.10 174.94 2jts h ALA 72 N 9.04 1.57 0.00 1.71 0.00 -1.60 -3.48 119.26 126.50 2jts h ALA 72 Ca -0.24 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2jts h ALA 72 Cb 1.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2jts h ALA 72 CO 1.05 0.30 0.00 0.41 0.00 0.00 0.00 179.25 181.00 2jts n GLY 73 N -0.81 0.24 3.90 0.00 0.00 -1.26 -4.81 105.19 102.45 2jts n GLY 73 Ca -0.02 -1.55 -0.28 0.00 0.00 0.00 0.00 46.02 44.16 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 1.60 0.39 -0.02 0.00 -1.26 -3.83 107.32 104.20 2jts s GLY 74 Ca 0.00 -0.42 0.11 0.00 0.00 0.00 0.00 44.72 44.41 2jts s GLY 74 CO 0.00 -0.24 1.92 -2.00 0.00 0.00 0.00 173.10 172.78 2jts h LEU 75 N 0.40 0.54 0.00 0.66 7.12 -1.04 0.18 115.31 123.18 2jts h LEU 75 Ca -0.47 0.02 0.00 0.00 0.13 0.00 0.00 57.88 57.56 2jts h LEU 75 Cb 1.20 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 41.24 2jts h LEU 75 CO 0.62 0.30 0.00 0.29 -0.13 0.00 0.00 178.44 179.53 2jts n LYS 76 N -4.50 0.70 0.00 1.25 5.02 -1.26 -3.97 118.16 115.40 2jts n LYS 76 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 2jts n LYS 76 Cb 0.41 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 2jts n LYS 76 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2jts n ASP 77 N -0.95 2.28 -4.70 4.39 2.03 0.51 -5.02 116.55 115.08 2jts n ASP 77 Ca 0.15 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 55.03 2jts n ASP 77 Cb 0.07 0.26 -0.02 0.00 -0.72 0.00 0.00 41.12 40.71 2jts n ASP 77 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2jts n ILE 78 N -1.10 1.00 -2.62 5.18 -0.00 -0.40 -4.91 119.36 116.50 2jts n ILE 78 Ca 0.00 -0.25 -0.27 0.00 -0.00 0.00 0.00 62.75 62.23 2jts n ILE 78 Cb 0.19 -1.67 -0.01 0.00 -0.00 0.00 0.00 39.64 38.15 2jts n ILE 78 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2jts n ALA 79 N 1.97 4.93 -2.30 -1.39 0.00 -1.26 -5.01 120.51 117.45 2jts n ALA 79 Ca 0.10 -4.43 -0.13 0.00 0.00 0.00 0.00 53.44 48.98 2jts n ALA 79 Cb 0.34 -0.60 -0.10 0.00 0.00 0.00 0.00 19.45 19.08 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 -3.52 0.89 0.59 0.00 -1.94 -1.26 -5.14 119.30 108.92 2jts s MET 80 Ca 0.48 -1.30 -0.19 0.00 -1.71 0.00 0.00 55.69 52.97 2jts s MET 80 Cb 0.36 -0.41 -0.05 0.00 2.01 0.00 0.00 34.83 36.74 2jts s MET 80 CO -0.17 0.04 0.94 -2.30 -0.01 0.00 0.00 175.02 173.51 2jts n PRO 81 N 0.13 0.91 -4.31 2.03 -0.02 -1.26 -4.88 135.00 127.60 2jts n PRO 81 Ca -0.13 0.35 -0.18 0.00 -2.02 0.00 0.00 63.50 61.52 2jts n PRO 81 Cb 0.60 -2.13 -0.10 0.00 -0.02 0.00 0.00 33.50 31.85 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 -2.65 1.24 0.22 -0.52 1.02 -1.26 -1.95 119.74 115.83 2jts s LYS 82 Ca 0.74 -1.51 0.01 0.00 0.02 0.00 0.00 55.97 55.23 2jts s LYS 82 Cb -0.43 -1.00 -0.05 0.00 -0.52 0.00 0.00 37.83 35.83 2jts s LYS 82 CO 0.48 0.17 0.06 0.08 -0.92 0.00 0.00 175.35 175.22 2jts s VAL 83 N -2.91 0.58 0.20 3.17 1.01 0.25 -4.82 120.40 117.88 2jts s VAL 83 Ca 0.19 -1.99 0.06 0.00 0.00 0.00 0.00 61.98 60.24 2jts s VAL 83 Cb -0.01 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 2jts s VAL 83 CO 0.05 -0.18 -0.10 -0.54 0.00 0.00 0.00 175.10 174.33 2jts s LYS 84 N -3.99 1.28 0.00 2.72 1.02 -1.26 -0.59 119.74 118.92 2jts s LYS 84 Ca 0.33 -1.59 0.00 0.00 0.02 0.00 0.00 55.97 54.73 2jts s LYS 84 Cb 0.07 -0.89 0.00 0.00 -0.52 0.00 0.00 37.83 36.49 2jts s LYS 84 CO 0.10 0.08 0.39 0.41 -0.92 0.00 0.00 175.35 175.42