#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sfc n ASN 29 N 0.00 2.31 0.00 -3.46 3.02 -1.26 -4.38 115.26 111.49 1sfc n ASN 29 Ca 0.00 -2.14 0.00 0.00 -0.03 0.00 0.00 54.58 52.41 1sfc n ASN 29 Cb 0.00 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.64 1sfc n ASN 29 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1sfc n ARG 30 N 0.19 0.00 0.00 3.52 5.12 -1.26 -2.42 116.66 121.81 1sfc n ARG 30 Ca 0.05 0.31 0.00 0.00 -1.93 0.00 0.00 57.85 56.28 1sfc n ARG 30 Cb 0.50 -1.13 0.00 0.00 -1.16 0.00 0.00 32.46 30.67 1sfc n ARG 30 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1sfc n ARG 31 N -1.44 0.00 -0.11 5.56 1.74 -1.26 -0.11 116.66 121.04 1sfc n ARG 31 Ca 0.00 0.01 -0.17 0.00 -0.77 0.00 0.00 57.85 56.92 1sfc n ARG 31 Cb 0.00 -1.51 -0.06 0.00 -1.02 0.00 0.00 32.46 29.87 1sfc n ARG 31 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1sfc n LEU 32 N -0.78 1.93 -0.18 0.55 0.00 -1.22 -3.68 117.00 113.62 1sfc n LEU 32 Ca 0.00 0.37 0.20 0.00 0.00 0.00 0.00 56.01 56.59 1sfc n LEU 32 Cb 0.01 -0.80 0.58 0.00 0.00 0.00 0.00 43.42 43.21 1sfc n LEU 32 CO 0.00 0.04 1.22 1.56 0.00 0.00 0.00 177.39 180.22 1sfc h GLN 33 N -1.00 0.26 0.07 1.96 4.20 -0.16 0.13 115.11 120.57 1sfc h GLN 33 Ca -0.27 -0.02 -0.25 0.00 0.06 0.00 0.00 58.65 58.17 1sfc h GLN 33 Cb 1.19 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.91 1sfc h GLN 33 CO -0.17 0.17 -1.10 -0.56 -0.67 0.00 0.00 178.83 176.51 1sfc h GLN 34 N 0.27 0.35 -0.08 1.46 3.07 -1.59 -1.96 115.11 116.62 1sfc h GLN 34 Ca 0.40 -0.47 -0.07 0.00 0.09 0.00 0.00 58.65 58.61 1sfc h GLN 34 Cb 1.17 0.15 -0.01 0.00 0.08 0.00 0.00 27.48 28.88 1sfc h GLN 34 CO -0.10 1.17 -0.27 1.15 0.09 0.00 0.00 178.83 180.86 1sfc h THR 35 N 0.15 1.23 0.65 1.86 2.02 -0.97 0.42 112.91 118.26 1sfc h THR 35 Ca -0.11 -1.07 -0.03 0.00 0.77 0.00 0.00 66.41 65.97 1sfc h THR 35 Cb 1.78 1.47 0.01 0.00 -1.74 0.00 0.00 68.15 69.67 1sfc h THR 35 CO 0.19 0.32 -0.31 -0.61 0.37 0.00 0.00 175.52 175.47 1sfc h GLN 36 N 0.12 -0.84 -0.28 6.66 5.75 -0.72 -1.45 115.11 124.36 1sfc h GLN 36 Ca 0.02 0.06 0.04 0.00 -0.15 0.00 0.00 58.65 58.62 1sfc h GLN 36 Cb 0.55 0.19 -0.08 0.00 1.07 0.00 0.00 27.48 29.21 1sfc h GLN 36 CO 0.04 -0.54 -0.52 0.00 -2.65 0.00 0.00 178.83 175.16 1sfc h ALA 37 N -0.60 -0.75 -0.89 3.38 0.00 -0.66 0.67 119.26 120.41 1sfc h ALA 37 Ca -0.09 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 54.95 1sfc h ALA 37 Cb 0.69 1.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.42 1sfc h ALA 37 CO 0.15 -1.03 0.57 -0.56 0.00 0.00 0.00 179.25 178.38 1sfc h GLN 38 N -0.47 0.65 -0.40 0.00 3.07 -0.88 0.28 115.11 117.36 1sfc h GLN 38 Ca 0.07 -0.04 -0.03 0.00 0.09 0.00 0.00 58.65 58.74 1sfc h GLN 38 Cb 0.63 -0.15 -0.02 0.00 0.08 0.00 0.00 27.48 28.03 1sfc h GLN 38 CO -0.51 0.43 0.14 0.28 0.09 0.00 0.00 178.83 179.26 1sfc h VAL 39 N 0.67 1.21 -1.00 1.86 2.07 -0.05 -2.21 116.25 118.80 1sfc h VAL 39 Ca 0.45 -0.66 0.12 0.00 0.82 0.00 0.00 66.70 67.42 1sfc h VAL 39 Cb 0.74 0.89 -0.08 0.00 -1.52 0.00 0.00 31.29 31.32 1sfc h VAL 39 CO -0.20 0.24 0.63 0.44 0.02 0.00 0.00 177.57 178.69 1sfc h ASP 40 N 0.50 0.94 -0.20 0.57 3.32 0.17 -0.19 116.42 121.53 1sfc h ASP 40 Ca 0.13 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 1sfc h ASP 40 Cb 0.23 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1sfc h ASP 40 CO -0.01 0.51 0.06 -0.08 -1.72 0.00 0.00 179.24 178.00 1sfc h GLU 41 N 1.01 0.31 -0.31 3.56 4.81 -0.68 -1.10 114.58 122.17 1sfc h GLU 41 Ca 0.49 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.67 1sfc h GLU 41 Cb 0.46 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 1sfc h GLU 41 CO -0.26 0.41 0.21 0.28 -0.73 0.00 0.00 179.01 178.92 1sfc h VAL 42 N 0.15 1.06 -0.72 0.32 2.07 -0.75 0.35 116.25 118.73 1sfc h VAL 42 Ca 0.06 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 67.39 1sfc h VAL 42 Cb 0.23 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1sfc h VAL 42 CO -0.00 0.07 0.23 0.58 0.02 0.00 0.00 177.57 178.47 1sfc h VAL 43 N 0.40 1.26 -0.29 2.57 2.07 -0.24 0.13 116.25 122.15 1sfc h VAL 43 Ca 0.12 -0.90 -0.05 0.00 0.82 0.00 0.00 66.70 66.69 1sfc h VAL 43 Cb -0.01 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1sfc h VAL 43 CO -0.03 0.35 -0.03 0.44 0.02 0.00 0.00 177.57 178.33 1sfc h ASP 44 N 1.06 0.53 -0.35 0.57 3.32 0.15 0.32 116.42 122.03 1sfc h ASP 44 Ca 0.23 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1sfc h ASP 44 Cb 0.30 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1sfc h ASP 44 CO -0.01 0.74 0.23 0.40 -1.72 0.00 0.00 179.24 178.88 1sfc h ILE 45 N 0.32 1.09 -0.12 0.35 2.04 -0.73 -2.20 117.51 118.26 1sfc h ILE 45 Ca 0.08 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 1sfc h ILE 45 Cb 0.48 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1sfc h ILE 45 CO 0.02 0.09 -0.01 0.24 0.00 0.00 0.00 178.15 178.49 1sfc h MET 46 N 0.47 0.22 -0.73 2.37 2.86 -0.69 0.08 114.93 119.52 1sfc h MET 46 Ca 0.13 -0.08 0.16 0.00 -2.06 0.00 0.00 59.70 57.85 1sfc h MET 46 Cb -0.05 -0.02 -0.13 0.00 0.06 0.00 0.00 31.60 31.46 1sfc h MET 46 CO -0.03 0.48 -0.04 -0.09 1.06 0.00 0.00 176.91 178.29 1sfc h ARG 47 N -0.06 0.07 -0.34 1.72 2.43 -0.82 0.65 114.38 118.03 1sfc h ARG 47 Ca 0.03 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 1sfc h ARG 47 Cb 0.39 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1sfc h ARG 47 CO 0.01 0.05 0.00 0.28 -1.51 0.00 0.00 179.97 178.80 1sfc h VAL 48 N 0.08 1.26 -0.42 0.20 2.07 -1.26 -2.56 116.25 115.62 1sfc h VAL 48 Ca 0.38 -0.96 0.06 0.00 0.82 0.00 0.00 66.70 67.00 1sfc h VAL 48 Cb 0.65 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 1sfc h VAL 48 CO -0.66 0.31 0.13 0.78 0.02 0.00 0.00 177.57 178.15 1sfc h ASN 49 N 0.40 0.12 -0.81 0.57 -0.26 0.14 0.20 115.58 115.93 1sfc h ASN 49 Ca 0.10 0.05 0.20 0.00 -0.56 0.00 0.00 56.30 56.09 1sfc h ASN 49 Cb 0.44 0.05 -0.05 0.00 -1.06 0.00 0.00 38.32 37.70 1sfc h ASN 49 CO 0.02 0.10 0.56 0.58 -1.06 0.00 0.00 177.43 177.62 1sfc h VAL 50 N 0.29 0.68 0.49 2.81 2.07 0.34 0.16 116.25 123.09 1sfc h VAL 50 Ca 0.20 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.60 1sfc h VAL 50 Cb 0.20 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1sfc h VAL 50 CO -0.21 0.05 -0.24 -0.78 0.02 0.00 0.00 177.57 176.41 1sfc h ASP 51 N 0.26 -0.56 -1.05 0.57 3.58 -0.27 -2.54 116.42 116.40 1sfc h ASP 51 Ca 0.41 0.02 0.28 0.00 0.42 0.00 0.00 57.03 58.15 1sfc h ASP 51 Cb 1.20 0.14 -0.10 0.00 1.72 0.00 0.00 39.33 42.29 1sfc h ASP 51 CO -0.10 -0.35 0.67 0.11 -2.88 0.00 0.00 179.24 176.69 1sfc h LYS 52 N -0.77 0.39 -0.39 0.28 1.57 0.31 0.75 116.57 118.71 1sfc h LYS 52 Ca -0.07 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 1sfc h LYS 52 Cb 0.51 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1sfc h LYS 52 CO 0.11 0.26 0.04 0.28 -0.57 0.00 0.00 179.45 179.57 1sfc h VAL 53 N 0.40 1.25 0.00 0.50 2.07 -0.69 0.16 116.25 119.94 1sfc h VAL 53 Ca 0.62 -0.91 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 1sfc h VAL 53 Cb 1.54 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 1sfc h VAL 53 CO -0.34 0.31 -0.17 -0.07 0.02 0.00 0.00 177.57 177.31 1sfc h LEU 54 N 0.50 0.00 -0.12 2.57 3.38 -0.47 0.34 115.31 121.51 1sfc h LEU 54 Ca 0.12 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 1sfc h LEU 54 Cb 0.40 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1sfc h LEU 54 CO 0.01 0.17 -0.20 -0.08 0.09 0.00 0.00 178.44 178.43 1sfc h GLU 55 N 0.00 0.34 -0.03 1.13 4.81 -0.37 -2.26 114.58 118.20 1sfc h GLU 55 Ca -0.00 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.00 1sfc h GLU 55 Cb 0.36 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 1sfc h GLU 55 CO 0.02 0.80 -0.07 -0.09 -0.73 0.00 0.00 179.01 178.93 1sfc h ARG 56 N -0.07 0.04 -0.30 1.92 2.43 0.69 -1.20 114.38 117.88 1sfc h ARG 56 Ca 0.01 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1sfc h ARG 56 Cb 0.77 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 1sfc h ARG 56 CO 0.04 0.12 0.11 0.22 -1.51 0.00 0.00 179.97 178.95 1sfc h ASP 57 N 0.04 0.42 0.81 -3.80 3.58 -0.11 0.17 116.42 117.53 1sfc h ASP 57 Ca 0.01 -0.18 -0.04 0.00 0.42 0.00 0.00 57.03 57.24 1sfc h ASP 57 Cb 0.16 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.10 1sfc h ASP 57 CO 0.01 0.49 -0.45 -0.61 -2.88 0.00 0.00 179.24 175.80 1sfc h GLN 58 N 0.33 -1.12 -0.78 0.28 4.15 -0.67 -1.86 115.11 115.43 1sfc h GLN 58 Ca 0.10 0.08 0.13 0.00 0.77 0.00 0.00 58.65 59.72 1sfc h GLN 58 Cb 0.21 0.25 -0.09 0.00 0.21 0.00 0.00 27.48 28.06 1sfc h GLN 58 CO -0.01 -0.75 0.38 0.87 -1.93 0.00 0.00 178.83 177.39 1sfc h LYS 59 N -1.16 0.56 -0.83 1.69 1.57 -1.27 0.23 116.57 117.35 1sfc h LYS 59 Ca -0.11 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 1sfc h LYS 59 Cb 0.91 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 33.06 1sfc h LYS 59 CO 0.14 0.37 0.46 -0.07 -0.57 0.00 0.00 179.45 179.78 1sfc h LEU 60 N 0.57 1.03 -0.79 2.94 3.38 -0.56 0.30 115.31 122.18 1sfc h LEU 60 Ca 0.42 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 58.18 1sfc h LEU 60 Cb 0.56 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1sfc h LEU 60 CO -0.34 0.82 -0.45 -1.28 0.09 0.00 0.00 178.44 177.27 1sfc h SER 61 N 1.16 0.37 0.02 -0.43 0.87 -0.03 0.52 113.55 116.03 1sfc h SER 61 Ca 0.29 -0.17 -0.10 0.00 -1.23 0.00 0.00 61.79 60.58 1sfc h SER 61 Cb 0.01 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 1sfc h SER 61 CO -0.05 0.77 -0.32 -0.08 -0.53 0.00 0.00 176.83 176.63 1sfc h GLU 62 N 0.28 0.43 0.15 2.24 4.81 0.49 -2.78 114.58 120.21 1sfc h GLU 62 Ca 0.02 -0.18 -0.29 0.00 -0.13 0.00 0.00 59.36 58.78 1sfc h GLU 62 Cb 0.91 -0.02 0.02 0.00 0.63 0.00 0.00 28.75 30.29 1sfc h GLU 62 CO 0.08 0.71 -1.27 1.25 -0.73 0.00 0.00 179.01 179.04 1sfc h LEU 63 N 0.38 0.64 -1.97 1.64 5.85 0.04 -2.78 115.31 119.11 1sfc h LEU 63 Ca 0.05 -0.64 0.04 0.00 0.84 0.00 0.00 57.88 58.16 1sfc h LEU 63 Cb 0.74 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1sfc h LEU 63 CO 0.06 1.48 0.11 -0.78 -0.34 0.00 0.00 178.44 178.97 1sfc h ASP 64 N 0.15 0.04 0.06 1.25 3.58 0.20 0.51 116.42 122.21 1sfc h ASP 64 Ca -0.17 -0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.19 1sfc h ASP 64 Cb 1.97 -0.01 0.01 0.00 1.72 0.00 0.00 39.33 43.02 1sfc h ASP 64 CO 0.23 0.03 -0.38 0.44 -2.88 0.00 0.00 179.24 176.67 1sfc h ASP 65 N 0.04 0.23 -0.70 2.28 3.32 -1.50 -2.81 116.42 117.27 1sfc h ASP 65 Ca 0.07 -0.96 -0.01 0.00 0.02 0.00 0.00 57.03 56.15 1sfc h ASP 65 Cb 0.23 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 1sfc h ASP 65 CO -0.00 1.17 0.41 0.03 -1.72 0.00 0.00 179.24 179.12 1sfc h ARG 66 N -0.67 0.97 -0.86 3.56 3.08 -1.10 0.22 114.38 119.57 1sfc h ARG 66 Ca -0.07 -0.10 0.03 0.00 0.07 0.00 0.00 59.98 59.92 1sfc h ARG 66 Cb 1.28 -0.20 -0.05 0.00 0.08 0.00 0.00 29.97 31.09 1sfc h ARG 66 CO 0.07 0.70 0.56 0.00 -1.07 0.00 0.00 179.97 180.23 1sfc h ALA 67 N 1.21 1.14 -0.44 0.04 0.00 -0.09 0.54 119.26 121.65 1sfc h ALA 67 Ca 0.25 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 1sfc h ALA 67 Cb -0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1sfc h ALA 67 CO -0.04 0.40 -0.29 0.22 0.00 0.00 0.00 179.25 179.54 1sfc h ASP 68 N 1.08 1.00 -0.24 0.00 3.58 -1.11 -1.54 116.42 119.18 1sfc h ASP 68 Ca 0.34 -0.41 -0.09 0.00 0.42 0.00 0.00 57.03 57.29 1sfc h ASP 68 Cb 0.01 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 40.76 1sfc h ASP 68 CO -0.12 1.21 -0.13 0.00 -2.88 0.00 0.00 179.24 177.32 1sfc h ALA 69 N 0.85 1.08 -0.23 -0.78 0.00 -0.13 -0.96 119.26 119.08 1sfc h ALA 69 Ca 0.09 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1sfc h ALA 69 Cb 0.87 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1sfc h ALA 69 CO 0.08 0.57 0.05 1.25 0.00 0.00 0.00 179.25 181.20 1sfc h LEU 70 N 0.60 0.36 -1.12 0.00 5.85 0.28 0.20 115.31 121.48 1sfc h LEU 70 Ca 0.10 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.51 1sfc h LEU 70 Cb 0.57 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1sfc h LEU 70 CO 0.04 0.50 -0.15 -0.61 -0.34 0.00 0.00 178.44 177.88 1sfc h GLN 71 N 0.20 0.45 -0.16 1.25 -0.00 -1.14 0.45 115.11 116.16 1sfc h GLN 71 Ca 0.07 -0.13 -0.04 0.00 -0.00 0.00 0.00 58.65 58.56 1sfc h GLN 71 Cb 0.29 -0.05 -0.00 0.00 0.00 0.00 0.00 27.48 27.71 1sfc h GLN 71 CO 0.00 0.59 -0.04 0.00 0.00 0.00 0.00 178.83 179.38 1sfc h ALA 72 N 1.44 0.22 -0.49 3.38 0.00 -0.81 -0.60 119.26 122.39 1sfc h ALA 72 Ca 0.08 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 1sfc h ALA 72 Cb 0.50 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1sfc h ALA 72 CO 0.03 -0.02 -0.10 0.78 0.00 0.00 0.00 179.25 179.94 1sfc h GLY 73 N 0.01 0.98 0.94 0.00 0.00 -0.27 -2.32 103.07 102.41 1sfc h GLY 73 Ca 0.04 -0.76 -0.03 0.00 0.00 0.00 0.00 47.33 46.58 1sfc h GLY 73 CO 0.02 0.70 0.15 0.00 0.00 0.00 0.00 176.54 177.40 1sfc h ALA 74 N 1.06 0.53 -1.00 3.60 0.00 -0.01 -1.45 119.26 121.99 1sfc h ALA 74 Ca 0.13 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1sfc h ALA 74 Cb 0.62 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 1sfc h ALA 74 CO 0.04 0.14 0.66 1.03 0.00 0.00 0.00 179.25 181.12 1sfc h SER 75 N 0.51 1.10 0.61 0.00 0.87 -0.89 0.84 113.55 116.59 1sfc h SER 75 Ca 0.13 -0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.57 1sfc h SER 75 Cb 0.21 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 1sfc h SER 75 CO -0.01 0.75 -0.54 -0.61 -0.53 0.00 0.00 176.83 175.90 1sfc h GLN 76 N 1.27 0.00 -0.25 2.24 5.75 -1.17 -1.36 115.11 121.59 1sfc h GLN 76 Ca 0.40 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.81 1sfc h GLN 76 Cb -0.00 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.54 1sfc h GLN 76 CO -0.12 0.54 -0.20 0.35 -2.65 0.00 0.00 178.83 176.74 1sfc h PHE 77 N 0.00 0.68 -0.24 3.99 3.57 -0.01 -2.38 116.94 122.55 1sfc h PHE 77 Ca -0.01 -0.19 0.06 0.00 3.53 0.00 0.00 57.97 61.36 1sfc h PHE 77 Cb 0.99 -0.15 -0.07 0.00 2.79 0.00 0.00 35.95 39.51 1sfc h PHE 77 CO 0.00 0.88 -0.20 1.49 -2.23 0.00 0.00 178.31 178.25 1sfc h GLU 78 N 0.29 -0.19 -0.90 1.11 4.22 -0.60 0.18 114.58 118.69 1sfc h GLU 78 Ca 0.05 0.01 0.12 0.00 0.08 0.00 0.00 59.36 59.62 1sfc h GLU 78 Cb 0.74 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.95 1sfc h GLU 78 CO 0.05 -0.12 0.53 1.15 -2.18 0.00 0.00 179.01 178.43 1sfc h THR 79 N -0.19 0.86 -0.26 0.32 2.02 -1.13 0.78 112.91 115.31 1sfc h THR 79 Ca 0.14 -0.28 -0.14 0.00 0.77 0.00 0.00 66.41 66.90 1sfc h THR 79 Cb 0.40 -0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.78 1sfc h THR 79 CO -0.36 0.15 -0.38 0.28 0.37 0.00 0.00 175.52 175.58 1sfc h SER 80 N 0.82 0.78 -0.13 4.18 0.02 -0.72 -2.15 113.55 116.36 1sfc h SER 80 Ca 0.45 -0.51 0.04 0.00 -0.84 0.00 0.00 61.79 60.93 1sfc h SER 80 Cb 0.49 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.78 1sfc h SER 80 CO -0.28 1.14 -0.09 0.00 -1.14 0.00 0.00 176.83 176.45 1sfc h ALA 81 N 0.66 0.01 -0.92 3.77 0.00 0.34 -0.61 119.26 122.52 1sfc h ALA 81 Ca 0.03 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.07 1sfc h ALA 81 Cb 0.97 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.90 1sfc h ALA 81 CO 0.09 -0.54 0.57 0.00 0.00 0.00 0.00 179.25 179.37 1sfc h ALA 82 N 1.01 1.29 -0.69 0.00 0.00 -0.83 0.30 119.26 120.34 1sfc h ALA 82 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1sfc h ALA 82 Cb 0.22 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1sfc h ALA 82 CO -0.19 0.28 0.45 0.87 0.00 0.00 0.00 179.25 180.66 1sfc h LYS 83 N 1.00 0.92 0.25 0.00 1.79 -0.66 0.24 116.57 120.12 1sfc h LYS 83 Ca 0.42 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.81 1sfc h LYS 83 Cb 0.25 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 1sfc h LYS 83 CO -0.20 0.62 -0.12 1.25 -1.08 0.00 0.00 179.45 179.92 1sfc h LEU 84 N 0.94 -0.29 -0.49 2.94 5.85 0.41 0.23 115.31 124.90 1sfc h LEU 84 Ca 0.25 -0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.97 1sfc h LEU 84 Cb -0.08 0.07 -0.09 0.00 0.37 0.00 0.00 40.66 40.93 1sfc h LEU 84 CO -0.05 -0.08 -0.07 0.50 -0.34 0.00 0.00 178.44 178.40 1sfc h LYS 85 N -0.49 0.05 -0.94 1.25 3.64 -0.14 0.38 116.57 120.32 1sfc h LYS 85 Ca -0.03 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.38 1sfc h LYS 85 Cb 0.37 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.12 1sfc h LYS 85 CO 0.06 0.03 0.61 -0.09 -2.27 0.00 0.00 179.45 177.79 1sfc h ARG 86 N 0.05 1.14 0.18 1.90 2.43 -0.18 -0.08 114.38 119.81 1sfc h ARG 86 Ca 0.24 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1sfc h ARG 86 Cb 0.37 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1sfc h ARG 86 CO -0.46 0.75 -0.08 -0.22 -1.51 0.00 0.00 179.97 178.45 1sfc h LYS 87 N 1.17 -0.23 0.00 0.20 3.64 0.15 -1.23 116.57 120.28 1sfc h LYS 87 Ca 0.38 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.71 1sfc h LYS 87 Cb 0.02 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1sfc h LYS 87 CO -0.13 -0.07 -0.28 1.88 -2.27 0.00 0.00 179.45 178.58 1sfc h TYR 88 N -0.33 0.00 -0.67 1.91 0.05 -1.18 -1.31 116.97 115.43 1sfc h TYR 88 Ca -0.02 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.68 1sfc h TYR 88 Cb 0.26 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.97 1sfc h TYR 88 CO -0.04 0.28 0.12 2.35 -1.05 0.00 0.00 178.16 179.83 1sfc h TRP 89 N 0.00 1.17 -0.12 4.88 7.01 -0.80 0.56 115.95 128.66 1sfc h TRP 89 Ca -0.00 -0.16 -0.21 0.00 2.11 0.00 0.00 58.89 60.63 1sfc h TRP 89 Cb 0.94 -0.32 0.01 0.00 -2.10 0.00 0.00 29.16 27.68 1sfc h TRP 89 CO 0.00 0.98 -0.74 2.35 -2.79 0.00 0.00 178.44 178.23 1sfc h TRP 90 N 1.03 0.98 0.09 2.65 2.91 -0.87 -0.82 115.95 121.91 1sfc h TRP 90 Ca 0.21 -0.45 -0.00 0.00 1.13 0.00 0.00 58.89 59.77 1sfc h TRP 90 Cb 0.43 -0.14 0.00 0.00 -0.51 0.00 0.00 29.16 28.93 1sfc h TRP 90 CO 0.03 1.27 -0.04 0.87 -1.03 0.00 0.00 178.44 179.54 1sfc h LYS 91 N 0.40 -0.11 -0.54 2.65 1.57 -1.13 -0.11 116.57 119.29 1sfc h LYS 91 Ca -0.06 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.84 1sfc h LYS 91 Cb 1.38 0.03 -0.10 0.00 0.08 0.00 0.00 32.23 33.62 1sfc h LYS 91 CO 0.15 0.01 -0.12 -0.97 -0.57 0.00 0.00 179.45 177.95 1sfc h ASN 92 N -0.21 -0.47 -0.99 0.86 -0.73 -0.87 -0.09 115.58 113.07 1sfc h ASN 92 Ca -0.01 0.16 0.05 0.00 1.87 0.00 0.00 56.30 58.36 1sfc h ASN 92 Cb 0.18 0.32 -0.06 0.00 0.27 0.00 0.00 38.32 39.03 1sfc h ASN 92 CO 0.02 -0.17 0.65 0.25 -0.37 0.00 0.00 177.43 177.81 1sfc h LEU 93 N 0.01 1.06 -1.13 0.34 5.85 -0.66 -1.33 115.31 119.45 1sfc h LEU 93 Ca 0.26 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 1sfc h LEU 93 Cb 0.40 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 1sfc h LEU 93 CO -0.55 0.71 -0.00 0.11 -0.34 0.00 0.00 178.44 178.37 1sfc h LYS 94 N 1.22 0.00 -0.54 1.25 1.57 0.74 -3.04 116.57 117.77 1sfc h LYS 94 Ca 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 1sfc h LYS 94 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1sfc h LYS 94 CO -0.14 0.00 0.00 -1.33 -0.57 0.00 0.00 179.45 177.41 1sfc n MET 95 N -3.10 2.42 0.00 3.15 2.81 -0.45 -5.10 117.12 116.86 1sfc n MET 95 Ca 0.01 -1.87 0.13 0.00 -1.81 0.00 0.00 57.70 54.16 1sfc n MET 95 Cb 0.36 -1.50 0.38 0.00 -0.71 0.00 0.00 33.22 31.75 1sfc n MET 95 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15