#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 0.19 -0.32 0.00 2.02 -1.26 -3.04 118.70 116.29 2jts s GLU 2 Ca 0.00 -0.31 -0.01 0.00 0.02 0.00 0.00 54.97 54.67 2jts s GLU 2 Cb 0.00 0.07 0.10 0.00 0.10 0.00 0.00 34.13 34.40 2jts s GLU 2 CO 0.00 -0.03 0.12 -1.01 0.02 0.00 0.00 175.26 174.36 2jts s HIS 3 N -0.78 1.25 0.45 1.61 3.76 -0.18 -4.98 115.29 116.41 2jts s HIS 3 Ca -0.09 -1.52 -0.23 0.00 -0.15 0.00 0.00 55.06 53.08 2jts s HIS 3 Cb -0.05 -1.43 -0.08 0.00 1.11 0.00 0.00 32.58 32.12 2jts s HIS 3 CO -0.00 -0.85 1.10 -1.58 -0.85 0.00 0.00 174.74 172.55 2jts s TRP 4 N 1.64 3.03 -0.04 1.40 0.52 -1.23 -1.08 118.94 123.18 2jts s TRP 4 Ca 0.11 1.58 -0.01 0.00 0.02 0.00 0.00 56.10 57.80 2jts s TRP 4 Cb -0.18 -3.23 0.03 0.00 -1.15 0.00 0.00 33.47 28.95 2jts s TRP 4 CO -0.25 -1.07 0.06 0.42 0.02 0.00 0.00 176.95 176.12 2jts s ILE 5 N -1.67 -0.09 -0.37 2.03 -1.09 -0.38 -3.84 121.20 115.78 2jts s ILE 5 Ca 0.63 0.33 -0.29 0.00 -2.23 0.00 0.00 60.65 59.08 2jts s ILE 5 Cb -0.24 -0.13 0.02 0.00 -1.58 0.00 0.00 42.46 40.53 2jts s ILE 5 CO 0.29 0.14 1.11 -0.62 -1.23 0.00 0.00 174.94 174.62 2jts s ASP 6 N 1.67 6.82 -0.17 3.58 2.15 -0.37 -1.89 116.67 128.46 2jts s ASP 6 Ca -0.02 0.88 0.16 0.00 0.43 0.00 0.00 52.55 53.99 2jts s ASP 6 Cb -0.12 -2.55 0.63 0.00 -0.30 0.00 0.00 42.92 40.58 2jts s ASP 6 CO -0.03 -1.01 1.54 1.33 -0.17 0.00 0.00 175.17 176.82 2jts n VAL 7 N 6.20 2.28 -2.87 1.11 0.24 -0.78 -0.41 118.33 124.11 2jts n VAL 7 Ca 0.12 -1.59 -0.04 0.00 -2.04 0.00 0.00 64.34 60.80 2jts n VAL 7 Cb 0.48 -0.16 0.02 0.00 -1.47 0.00 0.00 33.84 32.71 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 0.11 0.83 -1.31 7.34 0.63 -1.26 -0.67 116.66 122.34 2jts n ARG 8 Ca 0.23 -0.61 -0.34 0.00 -0.92 0.00 0.00 57.85 56.22 2jts n ARG 8 Cb 0.95 -0.06 0.11 0.00 0.45 0.00 0.00 32.46 33.90 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 0.14 2.22 -0.84 5.15 -7.23 -1.26 -3.97 120.40 114.62 2jts s VAL 9 Ca 0.12 0.10 0.10 0.00 -1.81 0.00 0.00 61.98 60.49 2jts s VAL 9 Cb -0.01 -2.62 0.09 0.00 0.56 0.00 0.00 36.38 34.40 2jts s VAL 9 CO 0.08 -0.06 1.30 -0.81 -0.31 0.00 0.00 175.10 175.30 2jts n PRO 10 N -2.95 0.04 -0.27 4.82 -0.04 -1.26 -3.20 135.00 132.14 2jts n PRO 10 Ca 0.13 0.44 0.11 0.00 -0.04 0.00 0.00 63.50 64.14 2jts n PRO 10 Cb 0.50 -1.60 0.37 0.00 -0.04 0.00 0.00 33.50 32.73 2jts n PRO 10 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2jts h GLU 11 N 0.00 0.69 -0.34 0.54 4.57 -2.00 -0.06 114.58 117.98 2jts h GLU 11 Ca 0.00 -0.04 -0.13 0.00 -1.18 0.00 0.00 59.36 58.01 2jts h GLU 11 Cb 0.11 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 2jts h GLU 11 CO 0.00 0.46 -0.28 -0.56 -1.18 0.00 0.00 179.01 177.45 2jts h GLN 12 N 0.71 0.79 -0.25 1.92 3.07 -1.87 -3.19 115.11 116.28 2jts h GLN 12 Ca 0.44 -0.39 0.04 0.00 0.09 0.00 0.00 58.65 58.83 2jts h GLN 12 Cb 0.68 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.24 2jts h GLN 12 CO -0.20 1.02 0.17 -0.92 0.09 0.00 0.00 178.83 178.99 2jts h TYR 13 N 0.56 0.18 0.00 0.06 3.20 -1.18 -0.57 116.97 119.21 2jts h TYR 13 Ca 0.06 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.94 2jts h TYR 13 Cb 0.85 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.06 2jts h TYR 13 CO 0.07 0.10 0.00 1.04 -1.64 0.00 0.00 178.16 177.73 2jts n GLN 14 N -4.49 0.16 0.00 1.82 1.13 -0.66 -0.58 117.38 114.77 2jts n GLN 14 Ca 0.02 0.53 0.00 0.00 -1.94 0.00 0.00 57.00 55.61 2jts n GLN 14 Cb 0.19 -1.91 0.00 0.00 0.11 0.00 0.00 30.24 28.63 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 -2.23 0.56 -3.63 -1.09 10.64 -0.40 -4.34 117.38 116.88 2jts n GLN 15 Ca 0.00 0.00 -0.11 0.00 -1.83 0.00 0.00 57.00 55.06 2jts n GLN 15 Cb 0.12 -0.70 -0.07 0.00 -0.86 0.00 0.00 30.24 28.74 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 -1.40 0.67 0.04 2.61 -1.05 -0.36 -4.15 118.70 115.06 2jts s GLU 16 Ca 0.00 0.81 -0.03 0.00 -0.15 0.00 0.00 54.97 55.60 2jts s GLU 16 Cb 0.00 0.32 -0.02 0.00 -0.44 0.00 0.00 34.13 33.99 2jts s GLU 16 CO 0.00 -0.08 0.03 -3.38 0.95 0.00 0.00 175.26 172.78 2jts s HIS 17 N 0.34 0.30 0.12 4.83 -3.43 -0.00 -4.03 115.29 113.41 2jts s HIS 17 Ca 0.01 -0.65 -0.34 0.00 -0.80 0.00 0.00 55.06 53.28 2jts s HIS 17 Cb -0.05 -0.22 -0.14 0.00 -1.43 0.00 0.00 32.58 30.74 2jts s HIS 17 CO -0.03 -0.32 1.58 0.28 -2.00 0.00 0.00 174.74 174.26 2jts n VAL 18 N 0.85 0.07 0.18 -5.38 0.31 -1.26 -2.12 118.33 110.97 2jts n VAL 18 Ca -0.19 -0.01 0.12 0.00 -0.01 0.00 0.00 64.34 64.25 2jts n VAL 18 Cb 0.58 -1.48 0.67 0.00 -0.91 0.00 0.00 33.84 32.70 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 6.13 0.00 -0.77 5.55 -0.00 -1.45 -1.05 115.11 123.52 2jts h GLN 19 Ca -0.46 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.09 2jts h GLN 19 Cb 1.27 0.00 -0.06 0.00 0.00 0.00 0.00 27.48 28.68 2jts h GLN 19 CO 0.88 0.00 0.14 0.41 0.00 0.00 0.00 178.83 180.26 2jts n GLY 20 N -1.56 2.97 3.51 2.39 0.00 -1.26 -4.96 105.19 106.28 2jts n GLY 20 Ca 0.01 -0.73 -0.25 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.37 2.84 0.01 4.61 0.00 -0.40 -3.52 121.76 122.94 2jts s ALA 21 Ca 0.41 -2.02 0.01 0.00 0.00 0.00 0.00 51.96 50.37 2jts s ALA 21 Cb 0.33 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.35 2jts s ALA 21 CO 0.11 0.12 -0.05 0.96 0.00 0.00 0.00 175.76 176.90 2jts s ILE 22 N -2.62 0.33 -0.29 0.00 -4.36 -1.25 -4.90 121.20 108.10 2jts s ILE 22 Ca 0.31 -0.56 -0.29 0.00 -0.26 0.00 0.00 60.65 59.85 2jts s ILE 22 Cb 0.01 -0.35 0.01 0.00 1.25 0.00 0.00 42.46 43.38 2jts s ILE 22 CO 0.16 -0.16 1.10 0.21 0.24 0.00 0.00 174.94 176.49 2jts s ASN 23 N -0.77 6.94 -0.39 4.36 3.84 -1.26 -1.23 114.94 126.43 2jts s ASN 23 Ca -0.05 1.17 0.03 0.00 0.21 0.00 0.00 52.86 54.22 2jts s ASN 23 Cb -0.05 -2.54 0.16 0.00 -0.55 0.00 0.00 41.25 38.26 2jts s ASN 23 CO -0.00 -0.85 0.32 -0.63 -2.79 0.00 0.00 177.10 173.15 2jts s ILE 24 N 3.62 0.18 0.70 -5.21 1.01 0.46 -4.97 121.20 116.99 2jts s ILE 24 Ca 0.47 -2.22 -0.16 0.00 0.00 0.00 0.00 60.65 58.73 2jts s ILE 24 Cb -0.14 -1.13 -0.02 0.00 0.01 0.00 0.00 42.46 41.19 2jts s ILE 24 CO 0.14 -1.08 0.81 -2.65 0.00 0.00 0.00 174.94 172.16 2jts n PRO 25 N 3.27 0.48 -0.35 2.79 -0.02 -1.25 -4.18 135.00 135.74 2jts n PRO 25 Ca 0.23 0.21 0.25 0.00 -2.02 0.00 0.00 63.50 62.18 2jts n PRO 25 Cb 0.45 -2.07 0.53 0.00 -0.02 0.00 0.00 33.50 32.39 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 -0.19 0.41 -2.37 2.45 5.85 -1.14 0.49 115.31 120.80 2jts h LEU 26 Ca -0.47 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.35 2jts h LEU 26 Cb 1.35 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.42 2jts h LEU 26 CO 0.46 0.02 -0.00 0.11 -0.34 0.00 0.00 178.44 178.69 2jts h LYS 27 N 0.33 0.00 0.00 1.25 1.57 -1.90 -3.28 116.57 114.54 2jts h LYS 27 Ca 0.65 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.43 2jts h LYS 27 Cb 1.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.03 2jts h LYS 27 CO -0.34 0.00 -0.08 0.39 -0.57 0.00 0.00 179.45 178.85 2jts n GLU 28 N -3.09 3.35 -0.23 3.15 1.02 0.01 -4.78 120.64 120.05 2jts n GLU 28 Ca -0.02 0.00 0.22 0.00 -0.02 0.00 0.00 57.16 57.35 2jts n GLU 28 Cb 0.17 -0.33 0.57 0.00 -0.02 0.00 0.00 31.44 31.83 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 0.63 -0.82 2.62 3.04 -1.20 -1.16 116.25 119.36 2jts h VAL 29 Ca 0.00 -0.10 0.14 0.00 -1.01 0.00 0.00 66.70 65.73 2jts h VAL 29 Cb 0.00 0.31 -0.06 0.00 -2.01 0.00 0.00 31.29 29.53 2jts h VAL 29 CO 0.00 0.05 0.53 0.50 -1.01 0.00 0.00 177.57 177.65 2jts h LYS 30 N 0.29 0.55 0.00 4.17 3.64 -1.87 -1.82 116.57 121.54 2jts h LYS 30 Ca 0.47 -0.03 -0.29 0.00 -1.27 0.00 0.00 60.65 59.53 2jts h LYS 30 Cb 1.36 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 33.00 2jts h LYS 30 CO -0.14 0.37 -2.05 0.39 -2.27 0.00 0.00 179.45 175.74 2jts n GLU 31 N -4.52 0.45 0.13 1.90 1.02 -0.75 -4.57 120.64 114.30 2jts n GLU 31 Ca 0.15 0.12 0.11 0.00 -0.02 0.00 0.00 57.16 57.53 2jts n GLU 31 Cb 0.48 -1.33 0.49 0.00 -0.02 0.00 0.00 31.44 31.07 2jts n GLU 31 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2jts n ARG 32 N -3.22 0.16 -0.32 3.49 1.74 -0.52 -1.98 116.66 116.02 2jts n ARG 32 Ca -0.34 0.47 0.13 0.00 -0.77 0.00 0.00 57.85 57.35 2jts n ARG 32 Cb 0.83 -1.87 0.35 0.00 -1.02 0.00 0.00 32.46 30.76 2jts n ARG 32 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 2jts h ILE 33 N 0.00 0.75 -0.57 0.55 6.09 -1.57 -0.71 117.51 122.04 2jts h ILE 33 Ca 0.00 -0.25 -0.04 0.00 -1.37 0.00 0.00 64.86 63.21 2jts h ILE 33 Cb 0.25 -0.04 -0.02 0.00 0.47 0.00 0.00 36.82 37.48 2jts h ILE 33 CO 0.00 0.13 0.21 0.00 -3.07 0.00 0.00 178.15 175.42 2jts h ALA 34 N 1.62 0.74 -0.13 0.18 0.00 -1.61 0.70 119.26 120.75 2jts h ALA 34 Ca 0.53 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 55.10 2jts h ALA 34 Cb 0.88 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2jts h ALA 34 CO -0.30 0.37 -0.63 1.79 0.00 0.00 0.00 179.25 180.49 2jts h THR 35 N 0.79 1.34 -0.15 0.00 1.35 -1.66 -3.26 112.91 111.32 2jts h THR 35 Ca 0.19 -1.94 -0.06 0.00 -0.55 0.00 0.00 66.41 64.05 2jts h THR 35 Cb 0.23 1.92 -0.00 0.00 -1.73 0.00 0.00 68.15 68.57 2jts h THR 35 CO -0.01 0.59 -0.13 0.00 -0.25 0.00 0.00 175.52 175.72 2jts h ALA 36 N 0.96 0.22 -2.49 6.62 0.00 -0.63 -3.43 119.26 120.52 2jts h ALA 36 Ca -0.01 -0.31 -0.42 0.00 0.00 0.00 0.00 54.91 54.17 2jts h ALA 36 Cb 1.18 -0.05 -0.37 0.00 0.00 0.00 0.00 17.79 18.55 2jts h ALA 36 CO 0.11 0.09 -0.70 0.08 0.00 0.00 0.00 179.25 178.83 2jts s VAL 37 N -4.37 -0.24 0.63 0.00 1.01 0.19 -5.04 120.40 112.58 2jts s VAL 37 Ca -0.14 -0.56 0.31 0.00 0.00 0.00 0.00 61.98 61.60 2jts s VAL 37 Cb 0.05 -0.94 0.35 0.00 0.00 0.00 0.00 36.38 35.85 2jts s VAL 37 CO 0.75 -0.55 2.04 -0.65 0.00 0.00 0.00 175.10 176.69 2jts h PRO 38 N 8.34 0.00 -2.88 2.72 0.11 -1.78 -3.40 132.00 135.11 2jts h PRO 38 Ca -0.17 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.65 2jts h PRO 38 Cb 1.06 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 31.81 2jts h PRO 38 CO 0.37 0.00 -0.62 0.34 -0.21 0.00 0.00 178.00 177.89 2jts s ASP 39 N -5.11 0.93 0.00 -2.05 -1.08 -1.26 -5.02 116.67 103.07 2jts s ASP 39 Ca -0.04 0.18 0.10 0.00 -0.52 0.00 0.00 52.55 52.27 2jts s ASP 39 Cb 0.13 0.37 0.54 0.00 -1.46 0.00 0.00 42.92 42.49 2jts s ASP 39 CO 0.43 -0.27 1.19 0.29 0.52 0.00 0.00 175.17 177.33 2jts n LYS 40 N 5.33 0.18 0.23 4.34 5.02 -1.26 -1.45 118.16 130.55 2jts n LYS 40 Ca -0.05 0.15 0.11 0.00 -2.02 0.00 0.00 58.31 56.50 2jts n LYS 40 Cb 0.50 -1.50 0.51 0.00 -0.02 0.00 0.00 35.03 34.52 2jts n LYS 40 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 2jts h ASN 41 N 0.00 0.00 -4.08 4.39 -1.24 -1.93 -1.58 115.58 111.13 2jts h ASN 41 Ca 0.00 0.00 -0.49 0.00 0.71 0.00 0.00 56.30 56.52 2jts h ASN 41 Cb 0.08 0.00 0.06 0.00 0.73 0.00 0.00 38.32 39.19 2jts h ASN 41 CO 0.00 0.19 0.42 -0.62 -1.29 0.00 0.00 177.43 176.13 2jts s ASP 42 N -6.13 5.89 0.12 1.15 2.15 -0.53 -4.56 116.67 114.76 2jts s ASP 42 Ca 0.00 2.11 -0.31 0.00 0.43 0.00 0.00 52.55 54.78 2jts s ASP 42 Cb 0.10 -2.58 -0.08 0.00 -0.30 0.00 0.00 42.92 40.07 2jts s ASP 42 CO 0.62 -1.10 1.39 -0.89 -0.17 0.00 0.00 175.17 175.02 2jts s THR 43 N -1.83 3.30 -0.05 1.71 2.01 -1.17 -4.53 115.64 115.08 2jts s THR 43 Ca 0.71 0.93 0.04 0.00 0.31 0.00 0.00 61.69 63.69 2jts s THR 43 Cb -0.22 -3.60 -0.00 0.00 0.01 0.00 0.00 72.50 68.69 2jts s THR 43 CO 0.25 0.08 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.39 2jts s VAL 44 N 1.06 1.46 -0.48 3.82 1.01 -0.37 -1.01 120.40 125.88 2jts s VAL 44 Ca 0.64 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.93 2jts s VAL 44 Cb -0.37 -1.26 0.15 0.00 0.00 0.00 0.00 36.38 34.90 2jts s VAL 44 CO 0.31 0.42 0.30 -0.54 0.00 0.00 0.00 175.10 175.58 2jts s LYS 45 N 0.11 1.45 0.38 2.72 1.02 -0.24 -0.96 119.74 124.21 2jts s LYS 45 Ca -0.06 -2.27 -0.25 0.00 0.02 0.00 0.00 55.97 53.41 2jts s LYS 45 Cb -0.12 -2.41 -0.09 0.00 -0.52 0.00 0.00 37.83 34.69 2jts s LYS 45 CO 0.03 -1.22 1.09 0.14 -0.92 0.00 0.00 175.35 174.47 2jts s VAL 46 N -0.03 3.53 0.16 3.17 -7.23 -0.85 -1.25 120.40 117.91 2jts s VAL 46 Ca 0.21 1.26 -0.14 0.00 -1.81 0.00 0.00 61.98 61.51 2jts s VAL 46 Cb -0.16 -3.70 0.02 0.00 0.56 0.00 0.00 36.38 33.09 2jts s VAL 46 CO -0.06 0.09 0.40 -0.72 -0.31 0.00 0.00 175.10 174.51 2jts s TYR 47 N -1.50 0.04 0.27 2.82 1.13 -0.79 -1.02 117.35 118.29 2jts s TYR 47 Ca 0.55 -0.39 -0.16 0.00 -1.41 0.00 0.00 57.07 55.65 2jts s TYR 47 Cb -0.26 0.20 0.01 0.00 -1.10 0.00 0.00 41.96 40.81 2jts s TYR 47 CO 0.33 -0.79 0.60 0.00 -2.51 0.00 0.00 175.55 173.18 2jts n ASN 49 N -0.47 0.43 0.00 0.00 5.15 -1.26 -0.42 115.26 118.69 2jts n ASN 49 Ca -0.03 0.64 0.00 0.00 -0.60 0.00 0.00 54.58 54.59 2jts n ASN 49 Cb 0.60 -0.63 0.00 0.00 -0.53 0.00 0.00 39.78 39.23 2jts n ASN 49 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jts n ALA 50 N -1.65 1.19 0.00 5.20 0.00 -1.26 -4.53 120.51 119.46 2jts n ALA 50 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2jts n ALA 50 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.67 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 0.17 1.42 0.06 0.00 0.00 -1.07 -4.73 105.19 101.03 2jts n GLY 51 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.03 -0.07 1.61 9.65 -1.90 -1.60 114.38 122.10 2jts h ARG 52 Ca 0.00 -0.01 -0.09 0.00 -1.10 0.00 0.00 59.98 58.79 2jts h ARG 52 Cb 0.00 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.56 2jts h ARG 52 CO 0.00 0.27 -0.35 1.96 2.80 0.00 0.00 179.97 184.65 2jts h GLN 53 N -0.21 0.14 -0.02 0.20 4.20 -1.94 -0.17 115.11 117.31 2jts h GLN 53 Ca 0.01 -0.06 -0.13 0.00 0.06 0.00 0.00 58.65 58.53 2jts h GLN 53 Cb 0.25 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 2jts h GLN 53 CO 0.00 0.48 -0.58 0.66 -0.67 0.00 0.00 178.83 178.72 2jts h SER 54 N 0.12 0.09 -0.27 1.46 4.64 -1.84 -0.31 113.55 117.43 2jts h SER 54 Ca 0.01 -0.05 0.04 0.00 -0.47 0.00 0.00 61.79 61.33 2jts h SER 54 Cb 0.69 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 62.71 2jts h SER 54 CO 0.05 0.65 0.02 1.23 -0.87 0.00 0.00 176.83 177.91 2jts h GLY 55 N 1.64 0.29 0.98 -0.77 0.00 -0.13 0.00 103.07 105.09 2jts h GLY 55 Ca -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 2jts h GLY 55 CO 0.08 -0.04 0.29 1.46 0.00 0.00 0.00 176.54 178.33 2jts h GLN 56 N 0.11 0.71 -0.63 4.80 4.20 -0.77 -1.77 115.11 121.76 2jts h GLN 56 Ca 0.13 -0.08 0.02 0.00 0.06 0.00 0.00 58.65 58.78 2jts h GLN 56 Cb 0.16 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 2jts h GLN 56 CO -0.20 0.54 0.42 0.00 -0.67 0.00 0.00 178.83 178.92 2jts h ALA 57 N 1.13 1.59 -0.52 3.87 0.00 -0.72 -0.42 119.26 124.18 2jts h ALA 57 Ca 0.18 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 2jts h ALA 57 Cb 0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2jts h ALA 57 CO -0.03 0.36 -0.12 -0.22 0.00 0.00 0.00 179.25 179.24 2jts h LYS 58 N 0.81 1.00 -0.64 0.00 3.11 -0.36 -0.52 116.57 119.97 2jts h LYS 58 Ca 0.24 -0.38 -0.05 0.00 -2.81 0.00 0.00 60.65 57.64 2jts h LYS 58 Cb -0.03 -0.06 -0.03 0.00 -1.00 0.00 0.00 32.23 31.11 2jts h LYS 58 CO -0.06 1.06 0.19 0.93 -2.81 0.00 0.00 179.45 178.77 2jts h GLU 59 N 0.87 1.01 0.05 1.90 4.39 -0.47 0.98 114.58 123.31 2jts h GLU 59 Ca 0.13 -0.22 0.02 0.00 0.34 0.00 0.00 59.36 59.63 2jts h GLU 59 Cb 0.69 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.17 2jts h GLU 59 CO 0.05 0.89 -0.19 0.82 -1.16 0.00 0.00 179.01 179.42 2jts h ILE 60 N 0.94 0.56 0.00 3.13 2.04 -0.91 -2.68 117.51 120.59 2jts h ILE 60 Ca 0.21 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.03 2jts h ILE 60 Cb 0.31 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 36.94 2jts h ILE 60 CO -0.01 0.00 -0.16 -0.07 0.00 0.00 0.00 178.15 177.92 2jts h LEU 61 N -0.33 0.00 -0.46 1.44 3.38 -0.75 -1.65 115.31 116.93 2jts h LEU 61 Ca 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2jts h LEU 61 Cb 0.38 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2jts h LEU 61 CO -0.14 0.16 0.19 0.28 0.09 0.00 0.00 178.44 179.02 2jts h SER 62 N 0.00 0.64 0.40 -0.43 0.02 -0.49 -2.29 113.55 111.39 2jts h SER 62 Ca -0.00 -0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 60.72 2jts h SER 62 Cb 0.61 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 2jts h SER 62 CO 0.02 0.63 -0.32 -0.33 -1.14 0.00 0.00 176.83 175.68 2jts h GLU 63 N 0.61 0.00 0.00 3.45 4.39 -1.01 -1.48 114.58 120.54 2jts h GLU 63 Ca 0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.86 2jts h GLU 63 Cb 0.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2jts h GLU 63 CO -0.01 0.32 0.00 -1.33 -1.16 0.00 0.00 179.01 176.83 2jts n MET 64 N -4.00 0.83 -2.10 2.33 2.81 -0.78 -4.89 117.12 111.33 2jts n MET 64 Ca -0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 2jts n MET 64 Cb 0.38 -1.17 0.00 0.00 -0.71 0.00 0.00 33.22 31.72 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 0.45 0.83 3.42 3.03 0.00 -0.56 -5.04 105.19 107.33 2jts n GLY 65 Ca 0.07 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 2jts n GLY 65 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2jts n TYR 66 N -1.88 -1.23 0.00 1.61 4.11 -0.91 -4.94 117.16 113.92 2jts n TYR 66 Ca 0.00 0.22 0.00 0.00 -0.00 0.00 0.00 57.90 58.12 2jts n TYR 66 Cb 0.44 -1.77 0.00 0.00 -0.00 0.00 0.00 39.34 38.02 2jts n TYR 66 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 2jts n THR 67 N -3.84 0.00 -2.41 -3.48 -2.24 -1.23 -4.94 114.28 96.14 2jts n THR 67 Ca 0.06 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.85 2jts n THR 67 Cb 0.55 -0.13 0.06 0.00 -2.10 0.00 0.00 70.33 68.70 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 -1.75 0.54 -2.89 4.78 8.25 -0.60 -4.97 115.22 118.59 2jts n HIS 68 Ca 0.00 -1.22 -0.39 0.00 -0.26 0.00 0.00 57.72 55.85 2jts n HIS 68 Cb 0.09 -0.20 -0.06 0.00 1.12 0.00 0.00 29.99 30.94 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 -1.85 4.26 -0.06 1.59 1.01 -1.26 -1.24 120.40 122.85 2jts s VAL 69 Ca 0.34 1.82 -0.10 0.00 0.00 0.00 0.00 61.98 64.05 2jts s VAL 69 Cb 0.37 -4.18 0.02 0.00 0.00 0.00 0.00 36.38 32.59 2jts s VAL 69 CO -0.10 0.46 0.25 -0.70 0.00 0.00 0.00 175.10 175.00 2jts s GLU 70 N -1.29 0.40 -0.54 2.72 2.12 -0.14 -4.92 118.70 117.05 2jts s GLU 70 Ca 0.39 0.12 -0.28 0.00 0.36 0.00 0.00 54.97 55.56 2jts s GLU 70 Cb -0.23 0.18 0.03 0.00 0.26 0.00 0.00 34.13 34.37 2jts s GLU 70 CO 0.28 -0.08 1.21 1.21 -0.54 0.00 0.00 175.26 177.34 2jts s ASN 71 N -0.40 6.47 0.43 -1.70 2.47 -1.26 -2.00 114.94 118.94 2jts s ASN 71 Ca -0.05 0.28 0.15 0.00 0.42 0.00 0.00 52.86 53.66 2jts s ASN 71 Cb -0.03 -2.55 0.96 0.00 -1.45 0.00 0.00 41.25 38.17 2jts s ASN 71 CO 0.01 -1.43 1.94 0.00 -3.72 0.00 0.00 177.10 173.90 2jts h ALA 72 N 9.66 1.53 0.00 1.71 0.00 -1.38 -3.48 119.26 127.30 2jts h ALA 72 Ca -0.25 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2jts h ALA 72 Cb 1.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2jts h ALA 72 CO 1.16 0.30 0.00 0.41 0.00 0.00 0.00 179.25 181.13 2jts n GLY 73 N -0.77 0.91 3.92 0.00 0.00 -1.26 -4.89 105.19 103.11 2jts n GLY 73 Ca -0.02 -1.95 -0.26 0.00 0.00 0.00 0.00 46.02 43.79 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 1.52 0.42 -0.02 0.00 -1.26 -3.75 107.32 104.23 2jts s GLY 74 Ca 0.00 -0.71 0.10 0.00 0.00 0.00 0.00 44.72 44.11 2jts s GLY 74 CO 0.00 -0.53 2.02 -2.00 0.00 0.00 0.00 173.10 172.59 2jts h LEU 75 N 0.22 0.44 -0.83 0.66 5.85 -0.99 0.14 115.31 120.81 2jts h LEU 75 Ca -0.47 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 2jts h LEU 75 Cb 1.23 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.16 2jts h LEU 75 CO 0.61 0.29 0.00 0.29 -0.34 0.00 0.00 178.44 179.29 2jts n LYS 76 N -4.47 0.18 -0.06 1.25 5.02 -1.26 -3.74 118.16 115.08 2jts n LYS 76 Ca 0.07 0.46 -0.08 0.00 -2.02 0.00 0.00 58.31 56.74 2jts n LYS 76 Cb 0.21 -1.89 -0.06 0.00 -0.02 0.00 0.00 35.03 33.28 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 -2.24 3.03 -4.77 4.39 2.03 -0.19 -4.99 116.55 113.81 2jts n ASP 77 Ca 0.01 -0.06 -0.41 0.00 0.52 0.00 0.00 54.79 54.86 2jts n ASP 77 Cb 0.19 -0.12 -0.01 0.00 -0.72 0.00 0.00 41.12 40.46 2jts n ASP 77 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2jts s ILE 78 N -2.24 2.46 -0.15 5.18 1.01 -0.14 -4.93 121.20 122.39 2jts s ILE 78 Ca -0.15 0.46 0.14 0.00 0.00 0.00 0.00 60.65 61.10 2jts s ILE 78 Cb 0.04 -3.29 0.37 0.00 0.01 0.00 0.00 42.46 39.59 2jts s ILE 78 CO 0.29 0.11 1.19 0.00 0.00 0.00 0.00 174.94 176.52 2jts n ALA 79 N 0.73 3.09 -0.99 9.38 0.00 -1.26 -4.92 120.51 126.54 2jts n ALA 79 Ca 0.01 -2.90 -0.30 0.00 0.00 0.00 0.00 53.44 50.24 2jts n ALA 79 Cb 0.41 -0.42 0.15 0.00 0.00 0.00 0.00 19.45 19.58 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 -2.51 1.23 0.44 0.00 -1.94 -1.26 -5.00 119.30 110.26 2jts s MET 80 Ca 0.34 1.15 -0.24 0.00 -1.71 0.00 0.00 55.69 55.23 2jts s MET 80 Cb 0.33 -1.78 -0.10 0.00 2.01 0.00 0.00 34.83 35.29 2jts s MET 80 CO -0.06 -2.35 1.01 -2.30 -0.01 0.00 0.00 175.02 171.31 2jts n PRO 81 N -4.00 1.33 -4.15 2.03 -0.02 -1.26 -4.89 135.00 124.04 2jts n PRO 81 Ca 0.09 0.48 -0.15 0.00 -2.02 0.00 0.00 63.50 61.89 2jts n PRO 81 Cb 0.53 -2.06 -0.11 0.00 -0.02 0.00 0.00 33.50 31.84 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 -2.08 0.77 0.08 -0.52 1.02 -1.26 -1.10 119.74 116.65 2jts s LYS 82 Ca 0.64 -1.03 -0.05 0.00 0.02 0.00 0.00 55.97 55.55 2jts s LYS 82 Cb -0.54 -0.55 -0.02 0.00 -0.52 0.00 0.00 37.83 36.20 2jts s LYS 82 CO 0.56 0.10 0.10 0.14 -0.92 0.00 0.00 175.35 175.32 2jts s VAL 83 N -1.97 0.17 0.52 3.17 -7.23 -0.90 -4.87 120.40 109.28 2jts s VAL 83 Ca 0.01 -1.49 -0.12 0.00 -1.81 0.00 0.00 61.98 58.57 2jts s VAL 83 Cb -0.06 -1.47 -0.06 0.00 0.56 0.00 0.00 36.38 35.36 2jts s VAL 83 CO 0.01 -0.77 0.92 -1.59 -0.31 0.00 0.00 175.10 173.35 2jts s LYS 84 N -3.90 3.74 0.00 4.82 -2.85 -1.26 -0.82 119.74 119.47 2jts s LYS 84 Ca 0.07 0.67 0.00 0.00 -1.00 0.00 0.00 55.97 55.71 2jts s LYS 84 Cb 0.06 -2.21 0.00 0.00 -2.06 0.00 0.00 37.83 33.62 2jts s LYS 84 CO -0.10 -0.30 0.45 0.41 0.10 0.00 0.00 175.35 175.91