#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sfc h ARG 8 N 0.00 0.26 0.00 2.12 2.43 -2.05 0.84 114.38 117.98 1sfc h ARG 8 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1sfc h ARG 8 Cb 0.00 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1sfc h ARG 8 CO 0.00 0.17 0.00 0.09 -1.51 0.00 0.00 179.97 178.72 1sfc n ASN 9 N -4.43 0.00 -0.09 -3.80 3.02 -1.26 -1.20 115.26 107.49 1sfc n ASN 9 Ca 0.15 -0.53 -0.17 0.00 -0.03 0.00 0.00 54.58 54.00 1sfc n ASN 9 Cb 0.64 -0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.73 1sfc n ASN 9 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1sfc n GLU 10 N -1.00 0.43 0.26 3.52 4.07 0.29 -3.82 120.64 124.39 1sfc n GLU 10 Ca 0.13 0.14 0.18 0.00 -0.06 0.00 0.00 57.16 57.55 1sfc n GLU 10 Cb 0.06 -1.27 0.87 0.00 -0.06 0.00 0.00 31.44 31.04 1sfc n GLU 10 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1sfc h LEU 11 N -0.36 0.00 0.03 4.31 5.85 -1.20 0.48 115.31 124.42 1sfc h LEU 11 Ca -0.45 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.03 1sfc h LEU 11 Cb 1.53 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.53 1sfc h LEU 11 CO -0.18 0.00 -1.15 -0.33 -0.34 0.00 0.00 178.44 176.43 1sfc h GLU 12 N 0.00 0.06 0.08 1.25 4.39 -1.33 -2.94 114.58 116.10 1sfc h GLU 12 Ca 0.00 -0.11 -0.26 0.00 0.34 0.00 0.00 59.36 59.34 1sfc h GLU 12 Cb 0.17 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1sfc h GLU 12 CO 0.00 0.99 -1.13 1.49 -1.16 0.00 0.00 179.01 179.20 1sfc h GLU 13 N 0.02 0.32 0.00 2.33 4.81 -1.08 -3.05 114.58 117.92 1sfc h GLU 13 Ca -0.08 -0.46 -0.04 0.00 -0.13 0.00 0.00 59.36 58.66 1sfc h GLU 13 Cb 1.85 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 31.38 1sfc h GLU 13 CO 0.14 1.17 -0.20 0.52 -0.73 0.00 0.00 179.01 179.91 1sfc h MET 14 N 0.13 0.00 0.07 1.92 2.86 -1.17 0.38 114.93 119.11 1sfc h MET 14 Ca -0.11 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1sfc h MET 14 Cb 1.82 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.48 1sfc h MET 14 CO 0.19 0.20 -0.03 1.96 1.06 0.00 0.00 176.91 180.29 1sfc h GLN 15 N 0.00 -0.09 -0.33 1.72 1.08 -1.48 -1.98 115.11 114.04 1sfc h GLN 15 Ca -0.00 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1sfc h GLN 15 Cb 0.40 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 1sfc h GLN 15 CO 0.03 0.43 0.15 0.00 -0.95 0.00 0.00 178.83 178.48 1sfc h ARG 16 N -0.67 0.48 -0.63 1.46 3.08 -1.38 -0.50 114.38 116.22 1sfc h ARG 16 Ca -0.01 -0.08 0.05 0.00 0.07 0.00 0.00 59.98 60.01 1sfc h ARG 16 Cb 0.56 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.47 1sfc h ARG 16 CO 0.02 0.46 0.36 -0.09 -1.07 0.00 0.00 179.97 179.64 1sfc h ARG 17 N 0.39 0.66 -0.21 0.04 9.65 -0.32 0.26 114.38 124.85 1sfc h ARG 17 Ca 0.11 -0.04 -0.13 0.00 -1.10 0.00 0.00 59.98 58.82 1sfc h ARG 17 Cb 0.14 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.56 1sfc h ARG 17 CO -0.01 0.44 -0.42 0.00 2.80 0.00 0.00 179.97 182.77 1sfc h ALA 18 N 1.31 0.88 -0.42 2.80 0.00 -1.19 -1.56 119.26 121.09 1sfc h ALA 18 Ca 0.27 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1sfc h ALA 18 Cb 0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1sfc h ALA 18 CO -0.16 0.64 -0.17 0.22 0.00 0.00 0.00 179.25 179.79 1sfc h ASP 19 N 0.42 0.87 -0.57 0.00 3.58 -0.39 -2.15 116.42 118.18 1sfc h ASP 19 Ca 0.03 -0.39 -0.06 0.00 0.42 0.00 0.00 57.03 57.03 1sfc h ASP 19 Cb 0.91 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.70 1sfc h ASP 19 CO 0.08 1.06 0.12 -0.61 -2.88 0.00 0.00 179.24 177.01 1sfc h GLN 20 N 0.67 0.92 -0.55 0.28 4.15 -0.33 -2.04 115.11 118.21 1sfc h GLN 20 Ca 0.10 -0.23 -0.02 0.00 0.77 0.00 0.00 58.65 59.27 1sfc h GLN 20 Cb 0.72 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.27 1sfc h GLN 20 CO 0.05 0.87 0.27 -0.07 -1.93 0.00 0.00 178.83 178.03 1sfc h LEU 21 N 0.82 0.71 0.12 -2.39 3.38 -1.21 -1.77 115.31 114.97 1sfc h LEU 21 Ca 0.18 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1sfc h LEU 21 Cb 0.38 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1sfc h LEU 21 CO 0.01 0.63 -0.16 0.00 0.09 0.00 0.00 178.44 179.01 1sfc h ALA 22 N 1.11 -0.29 -0.61 1.53 0.00 -1.15 0.19 119.26 120.04 1sfc h ALA 22 Ca 0.19 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.19 1sfc h ALA 22 Cb 0.10 0.25 -0.11 0.00 0.00 0.00 0.00 17.79 18.02 1sfc h ALA 22 CO -0.03 -0.69 -0.12 -0.44 0.00 0.00 0.00 179.25 177.97 1sfc h ASP 23 N -0.33 -0.51 -0.35 0.00 3.32 -1.09 0.50 116.42 117.96 1sfc h ASP 23 Ca 0.02 0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1sfc h ASP 23 Cb 0.33 0.36 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 1sfc h ASP 23 CO -0.07 -0.19 0.22 -0.33 -1.72 0.00 0.00 179.24 177.15 1sfc h GLU 24 N 0.02 0.46 -0.61 3.56 5.08 -0.73 -0.11 114.58 122.26 1sfc h GLU 24 Ca 0.30 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.66 1sfc h GLU 24 Cb 0.46 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 1sfc h GLU 24 CO -0.61 0.33 0.37 0.77 -1.00 0.00 0.00 179.01 178.87 1sfc h SER 25 N 0.46 0.59 -0.04 1.42 0.02 0.13 0.23 113.55 116.36 1sfc h SER 25 Ca 0.13 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.10 1sfc h SER 25 Cb -0.02 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 1sfc h SER 25 CO -0.03 0.41 -0.08 0.25 -1.14 0.00 0.00 176.83 176.24 1sfc h LEU 26 N 0.72 -0.25 -0.73 5.07 6.46 0.32 -1.56 115.31 125.34 1sfc h LEU 26 Ca 0.25 0.04 0.08 0.00 -0.12 0.00 0.00 57.88 58.14 1sfc h LEU 26 Cb 0.05 0.12 -0.07 0.00 -0.73 0.00 0.00 40.66 40.03 1sfc h LEU 26 CO -0.11 -0.12 0.39 -0.33 -0.62 0.00 0.00 178.44 177.64 1sfc h GLU 27 N -0.13 0.65 -0.75 1.25 4.39 -0.21 -0.88 114.58 118.90 1sfc h GLU 27 Ca 0.05 -0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.74 1sfc h GLU 27 Cb 0.19 -0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 28.65 1sfc h GLU 27 CO -0.11 0.43 0.47 1.03 -1.16 0.00 0.00 179.01 179.66 1sfc h SER 28 N 0.67 0.76 -0.02 1.42 0.87 0.13 -0.86 113.55 116.52 1sfc h SER 28 Ca 0.35 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.78 1sfc h SER 28 Cb 0.32 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1sfc h SER 28 CO -0.24 0.52 -0.41 0.71 -0.53 0.00 0.00 176.83 176.88 1sfc h THR 29 N 0.90 1.30 -0.24 2.23 1.35 -0.49 -1.40 112.91 116.56 1sfc h THR 29 Ca 0.31 -1.58 -0.05 0.00 -0.55 0.00 0.00 66.41 64.55 1sfc h THR 29 Cb 0.05 1.57 -0.01 0.00 -1.73 0.00 0.00 68.15 68.03 1sfc h THR 29 CO -0.13 0.49 -0.06 0.03 -0.25 0.00 0.00 175.52 175.61 1sfc h ARG 30 N 0.44 0.36 0.05 4.72 3.08 -0.34 -2.04 114.38 120.65 1sfc h ARG 30 Ca 0.04 -0.08 -0.24 0.00 0.07 0.00 0.00 59.98 59.77 1sfc h ARG 30 Cb 0.90 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.90 1sfc h ARG 30 CO 0.08 0.44 -1.04 0.00 -1.07 0.00 0.00 179.97 178.38 1sfc h ARG 31 N 0.35 0.37 -1.01 0.04 3.08 -0.82 -3.16 114.38 113.23 1sfc h ARG 31 Ca 0.08 -0.46 0.02 0.00 0.07 0.00 0.00 59.98 59.69 1sfc h ARG 31 Cb 0.33 0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.47 1sfc h ARG 31 CO 0.01 1.14 0.66 0.52 -1.07 0.00 0.00 179.97 181.24 1sfc h MET 32 N 0.18 1.28 0.03 0.04 2.86 -0.81 -1.33 114.93 117.18 1sfc h MET 32 Ca -0.10 -0.08 0.03 0.00 -2.06 0.00 0.00 59.70 57.49 1sfc h MET 32 Cb 1.71 -0.29 -0.05 0.00 0.06 0.00 0.00 31.60 33.03 1sfc h MET 32 CO 0.18 0.85 -0.30 1.25 1.06 0.00 0.00 176.91 179.95 1sfc h LEU 33 N 1.32 -0.88 -0.39 1.22 5.85 -1.34 0.22 115.31 121.31 1sfc h LEU 33 Ca 0.38 0.11 -0.17 0.00 0.84 0.00 0.00 57.88 59.05 1sfc h LEU 33 Cb -0.08 0.35 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 1sfc h LEU 33 CO -0.10 -0.37 -0.47 0.06 -0.34 0.00 0.00 178.44 177.22 1sfc h GLN 34 N -0.46 0.84 -0.52 1.25 3.07 -1.59 -0.93 115.11 116.77 1sfc h GLN 34 Ca 0.05 -0.49 0.09 0.00 0.09 0.00 0.00 58.65 58.39 1sfc h GLN 34 Cb 0.53 0.04 -0.07 0.00 0.08 0.00 0.00 27.48 28.06 1sfc h GLN 34 CO -0.23 1.13 0.13 1.25 0.09 0.00 0.00 178.83 181.19 1sfc h LEU 35 N 0.67 0.06 -0.32 0.06 5.85 -0.96 0.68 115.31 121.35 1sfc h LEU 35 Ca 0.04 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 1sfc h LEU 35 Cb 1.06 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 1sfc h LEU 35 CO 0.11 0.06 -0.26 1.62 -0.34 0.00 0.00 178.44 179.62 1sfc h VAL 36 N 0.28 0.48 -0.03 1.05 3.04 -0.50 -2.65 116.25 117.92 1sfc h VAL 36 Ca 0.26 -1.52 -0.19 0.00 -1.01 0.00 0.00 66.70 64.25 1sfc h VAL 36 Cb 0.34 2.10 0.01 0.00 -2.01 0.00 0.00 31.29 31.74 1sfc h VAL 36 CO -0.32 0.26 -0.71 -0.08 -1.01 0.00 0.00 177.57 175.71 1sfc h GLU 37 N 0.00 0.54 -0.61 4.17 4.57 0.33 -2.31 114.58 121.27 1sfc h GLU 37 Ca -0.00 -0.53 0.02 0.00 -1.18 0.00 0.00 59.36 57.66 1sfc h GLU 37 Cb 1.08 0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 29.78 1sfc h GLU 37 CO 0.03 1.16 0.39 0.93 -1.18 0.00 0.00 179.01 180.34 1sfc h GLU 38 N 0.11 0.76 -0.79 1.92 5.08 0.35 -2.04 114.58 119.98 1sfc h GLU 38 Ca -0.08 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1sfc h GLU 38 Cb 1.38 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 30.43 1sfc h GLU 38 CO 0.14 0.50 0.41 0.77 -1.00 0.00 0.00 179.01 179.83 1sfc h SER 39 N 0.78 1.01 -0.64 1.42 0.02 -1.47 -0.27 113.55 114.39 1sfc h SER 39 Ca 0.24 -0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 1sfc h SER 39 Cb -0.03 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.22 1sfc h SER 39 CO -0.08 0.83 0.28 0.50 -1.14 0.00 0.00 176.83 177.22 1sfc h LYS 40 N 1.10 0.98 -0.39 3.45 3.64 -0.95 0.16 116.57 124.56 1sfc h LYS 40 Ca 0.28 -0.16 -0.13 0.00 -1.27 0.00 0.00 60.65 59.37 1sfc h LYS 40 Cb 0.07 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1sfc h LYS 40 CO -0.04 0.79 -0.25 -0.44 -2.27 0.00 0.00 179.45 177.24 1sfc h ASP 41 N 0.96 0.90 -0.41 4.20 3.32 -0.64 -1.17 116.42 123.58 1sfc h ASP 41 Ca 0.23 -0.43 -0.06 0.00 0.02 0.00 0.00 57.03 56.79 1sfc h ASP 41 Cb 0.17 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1sfc h ASP 41 CO -0.02 1.14 0.07 0.00 -1.72 0.00 0.00 179.24 178.70 1sfc h ALA 42 N 0.80 1.21 0.05 3.45 0.00 -0.71 -1.69 119.26 122.37 1sfc h ALA 42 Ca 0.08 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1sfc h ALA 42 Cb 0.83 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1sfc h ALA 42 CO 0.07 0.53 -0.02 0.78 0.00 0.00 0.00 179.25 180.61 1sfc h GLY 43 N 0.95 -0.07 0.49 0.00 0.00 -0.43 -0.68 103.07 103.33 1sfc h GLY 43 Ca 0.16 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1sfc h GLY 43 CO 0.01 -0.02 -0.39 -2.22 0.00 0.00 0.00 176.54 173.91 1sfc h ILE 44 N -0.41 0.20 -1.01 2.60 1.08 -1.13 0.59 117.51 119.44 1sfc h ILE 44 Ca -0.01 0.00 0.29 0.00 -0.39 0.00 0.00 64.86 64.75 1sfc h ILE 44 Cb 0.37 0.20 -0.14 0.00 -3.07 0.00 0.00 36.82 34.19 1sfc h ILE 44 CO 0.01 0.00 0.59 -0.09 -0.69 0.00 0.00 178.15 177.97 1sfc h ARG 45 N -0.73 0.43 0.24 2.37 2.43 -1.30 0.45 114.38 118.27 1sfc h ARG 45 Ca -0.01 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1sfc h ARG 45 Cb 0.69 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1sfc h ARG 45 CO -0.13 0.29 -0.12 1.15 -1.51 0.00 0.00 179.97 179.65 1sfc h THR 46 N 0.45 0.80 -0.05 0.20 2.02 0.23 0.27 112.91 116.83 1sfc h THR 46 Ca 0.69 -0.69 0.04 0.00 0.77 0.00 0.00 66.41 67.22 1sfc h THR 46 Cb 1.47 1.17 -0.05 0.00 -1.74 0.00 0.00 68.15 69.00 1sfc h THR 46 CO -0.54 0.14 -0.31 -0.07 0.37 0.00 0.00 175.52 175.11 1sfc h LEU 47 N -0.70 -0.94 -0.27 2.58 3.38 0.94 0.94 115.31 121.24 1sfc h LEU 47 Ca -0.03 0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.12 1sfc h LEU 47 Cb 0.48 0.39 -0.08 0.00 0.09 0.00 0.00 40.66 41.54 1sfc h LEU 47 CO 0.05 -0.36 -0.42 0.58 0.09 0.00 0.00 178.44 178.39 1sfc h VAL 48 N -0.43 0.14 -0.83 1.22 2.07 -0.16 0.44 116.25 118.70 1sfc h VAL 48 Ca 0.08 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.67 1sfc h VAL 48 Cb 0.54 0.14 -0.06 0.00 -1.52 0.00 0.00 31.29 30.39 1sfc h VAL 48 CO -0.29 0.00 0.50 0.24 0.02 0.00 0.00 177.57 178.03 1sfc h MET 49 N -0.40 0.86 -0.15 1.57 2.86 0.39 -0.43 114.93 119.63 1sfc h MET 49 Ca 0.11 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.66 1sfc h MET 49 Cb 0.60 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1sfc h MET 49 CO -0.48 0.57 -0.08 1.25 1.06 0.00 0.00 176.91 179.22 1sfc h LEU 50 N 0.88 0.20 0.34 1.22 5.85 0.27 -1.14 115.31 122.92 1sfc h LEU 50 Ca 0.38 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 59.05 1sfc h LEU 50 Cb 0.24 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1sfc h LEU 50 CO -0.20 0.32 -0.16 -0.78 -0.34 0.00 0.00 178.44 177.28 1sfc h ASP 51 N 0.21 -0.38 -0.50 1.25 3.58 0.15 -0.73 116.42 120.00 1sfc h ASP 51 Ca 0.05 -0.17 -0.05 0.00 0.42 0.00 0.00 57.03 57.28 1sfc h ASP 51 Cb 0.29 0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.41 1sfc h ASP 51 CO 0.01 0.02 0.13 1.05 -2.88 0.00 0.00 179.24 177.58 1sfc h GLU 52 N -0.86 0.86 -0.61 0.28 4.11 -1.35 -0.96 114.58 116.04 1sfc h GLU 52 Ca -0.05 -0.18 -0.05 0.00 0.07 0.00 0.00 59.36 59.16 1sfc h GLU 52 Cb 0.53 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1sfc h GLU 52 CO 0.08 0.77 0.19 1.96 0.07 0.00 0.00 179.01 182.08 1sfc h GLN 53 N 0.82 0.92 -1.00 1.06 4.20 -1.23 -0.22 115.11 119.67 1sfc h GLN 53 Ca 0.18 -0.18 0.01 0.00 0.06 0.00 0.00 58.65 58.72 1sfc h GLN 53 Cb 0.31 -0.14 -0.05 0.00 0.30 0.00 0.00 27.48 27.90 1sfc h GLN 53 CO -0.00 0.79 0.66 0.78 -0.67 0.00 0.00 178.83 180.39 1sfc h GLY 54 N 1.01 1.40 1.13 3.46 0.00 0.12 -0.97 103.07 109.22 1sfc h GLY 54 Ca 0.20 -0.52 -0.08 0.00 0.00 0.00 0.00 47.33 46.93 1sfc h GLY 54 CO -0.01 0.51 0.10 0.83 0.00 0.00 0.00 176.54 177.97 1sfc h GLU 55 N 1.35 1.06 -0.50 4.80 5.08 -0.14 -1.42 114.58 124.81 1sfc h GLU 55 Ca 0.37 -0.28 0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1sfc h GLU 55 Cb -0.16 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 28.93 1sfc h GLU 55 CO -0.08 0.98 0.28 1.96 -1.00 0.00 0.00 179.01 181.15 1sfc h GLN 56 N 0.99 0.55 -0.84 2.33 4.20 -0.18 -0.86 115.11 121.30 1sfc h GLN 56 Ca 0.20 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.90 1sfc h GLN 56 Cb 0.44 -0.12 -0.05 0.00 0.30 0.00 0.00 27.48 28.05 1sfc h GLN 56 CO 0.01 0.36 0.54 -0.07 -0.67 0.00 0.00 178.83 179.01 1sfc h LEU 57 N 0.56 0.90 -0.33 1.46 3.38 -0.73 0.11 115.31 120.66 1sfc h LEU 57 Ca 0.21 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.21 1sfc h LEU 57 Cb 0.06 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1sfc h LEU 57 CO -0.11 0.62 0.11 0.44 0.09 0.00 0.00 178.44 179.59 1sfc h ASP 58 N 1.06 0.11 -0.27 -0.43 3.32 -0.17 0.54 116.42 120.57 1sfc h ASP 58 Ca 0.33 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.41 1sfc h ASP 58 Cb -0.01 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1sfc h ASP 58 CO -0.11 0.10 0.14 0.03 -1.72 0.00 0.00 179.24 177.67 1sfc h ARG 59 N 0.24 0.43 -0.00 3.56 3.08 -0.23 0.15 114.38 121.61 1sfc h ARG 59 Ca 0.15 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 1sfc h ARG 59 Cb 0.13 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 1sfc h ARG 59 CO -0.16 0.35 0.00 0.28 -1.07 0.00 0.00 179.97 179.37 1sfc h VAL 60 N 0.43 1.24 -0.46 2.04 2.07 0.14 -0.61 116.25 121.10 1sfc h VAL 60 Ca 0.11 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1sfc h VAL 60 Cb 0.07 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1sfc h VAL 60 CO -0.01 0.18 0.29 -0.08 0.02 0.00 0.00 177.57 177.97 1sfc h GLU 61 N -0.28 0.61 -0.72 1.57 4.81 0.79 -0.85 114.58 120.50 1sfc h GLU 61 Ca 0.00 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1sfc h GLU 61 Cb 0.30 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 1sfc h GLU 61 CO 0.00 0.42 0.47 1.49 -0.73 0.00 0.00 179.01 180.66 1sfc h GLU 62 N 0.61 0.91 0.00 1.92 4.81 -0.64 0.29 114.58 122.48 1sfc h GLU 62 Ca 0.17 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 1sfc h GLU 62 Cb -0.04 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.13 1sfc h GLU 62 CO -0.03 0.60 -0.07 0.78 -0.73 0.00 0.00 179.01 179.56 1sfc h GLY 63 N 0.94 0.00 1.56 1.92 0.00 -0.53 0.25 103.07 107.21 1sfc h GLY 63 Ca 0.27 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.38 1sfc h GLY 63 CO -0.08 0.00 -0.95 1.98 0.00 0.00 0.00 176.54 177.49 1sfc h MET 64 N 0.00 0.39 -0.05 4.80 4.05 0.90 -2.18 114.93 122.85 1sfc h MET 64 Ca -0.00 -0.43 -0.15 0.00 -0.28 0.00 0.00 59.70 58.84 1sfc h MET 64 Cb 0.25 0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.16 1sfc h MET 64 CO 0.01 1.10 -0.64 -0.91 0.23 0.00 0.00 176.91 176.70 1sfc h ASN 65 N 0.22 0.25 0.28 1.39 2.35 0.97 -2.34 115.58 118.70 1sfc h ASN 65 Ca -0.08 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.50 1sfc h ASN 65 Cb 1.59 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.89 1sfc h ASN 65 CO 0.16 0.83 -0.13 0.45 -1.65 0.00 0.00 177.43 177.09 1sfc h HIS 66 N 0.16 -0.34 -0.66 1.19 3.86 -0.47 -2.03 115.15 116.85 1sfc h HIS 66 Ca -0.01 -0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.28 1sfc h HIS 66 Cb 1.17 0.11 -0.07 0.00 1.06 0.00 0.00 27.41 29.68 1sfc h HIS 66 CO 0.02 -0.18 0.31 0.82 0.86 0.00 0.00 177.93 179.76 1sfc h ILE 67 N -0.42 0.84 -0.32 2.45 2.04 -1.33 0.19 117.51 120.96 1sfc h ILE 67 Ca -0.04 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 1sfc h ILE 67 Cb 0.32 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 1sfc h ILE 67 CO 0.06 0.10 0.10 -1.13 0.00 0.00 0.00 178.15 177.28 1sfc h ASN 68 N 0.54 0.41 0.00 1.72 -1.24 -1.28 0.20 115.58 115.93 1sfc h ASN 68 Ca 0.32 -0.04 -0.00 0.00 0.71 0.00 0.00 56.30 57.29 1sfc h ASN 68 Cb 0.33 -0.10 -0.00 0.00 0.73 0.00 0.00 38.32 39.28 1sfc h ASN 68 CO -0.26 0.40 -0.03 -0.61 -1.29 0.00 0.00 177.43 175.63 1sfc h GLN 69 N 0.45 0.00 -0.94 6.67 5.75 -0.56 -3.35 115.11 123.13 1sfc h GLN 69 Ca 0.11 0.00 0.20 0.00 -0.15 0.00 0.00 58.65 58.81 1sfc h GLN 69 Cb 0.14 0.00 -0.11 0.00 1.07 0.00 0.00 27.48 28.58 1sfc h GLN 69 CO -0.01 0.25 0.51 -0.44 -2.65 0.00 0.00 178.83 176.49 1sfc h ASP 70 N -1.00 0.57 0.00 -0.69 3.32 -0.61 0.58 116.42 118.59 1sfc h ASP 70 Ca -0.00 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1sfc h ASP 70 Cb 0.27 0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1sfc h ASP 70 CO -0.00 0.14 0.04 0.23 -1.72 0.00 0.00 179.24 177.92 1sfc n MET 71 N -4.90 0.09 -0.02 3.56 2.81 0.71 -1.10 117.12 118.27 1sfc n MET 71 Ca 0.23 0.58 -0.14 0.00 -1.81 0.00 0.00 57.70 56.56 1sfc n MET 71 Cb 0.61 -1.85 -0.02 0.00 -0.71 0.00 0.00 33.22 31.25 1sfc n MET 71 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1sfc h LYS 72 N 0.00 0.69 -0.07 0.03 1.57 0.05 0.14 116.57 118.98 1sfc h LYS 72 Ca 0.00 -0.50 -0.21 0.00 -1.87 0.00 0.00 60.65 58.06 1sfc h LYS 72 Cb 0.07 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1sfc h LYS 72 CO 0.00 1.12 -0.83 0.93 -0.57 0.00 0.00 179.45 180.11 1sfc h GLU 73 N 0.50 0.54 -0.27 3.15 4.39 -1.22 -1.21 114.58 120.44 1sfc h GLU 73 Ca -0.02 -0.48 -0.01 0.00 0.34 0.00 0.00 59.36 59.19 1sfc h GLU 73 Cb 1.27 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 30.02 1sfc h GLU 73 CO 0.13 1.11 0.14 0.00 -1.16 0.00 0.00 179.01 179.23 1sfc h ALA 74 N 0.74 0.35 -0.68 3.43 0.00 -1.38 0.99 119.26 122.71 1sfc h ALA 74 Ca -0.06 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1sfc h ALA 74 Cb 1.44 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 1sfc h ALA 74 CO 0.15 -0.10 0.24 0.93 0.00 0.00 0.00 179.25 180.48 1sfc h GLU 75 N 0.31 1.01 0.25 0.00 5.08 -0.93 0.02 114.58 120.33 1sfc h GLU 75 Ca 0.09 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1sfc h GLU 75 Cb 0.11 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1sfc h GLU 75 CO -0.01 0.84 -0.12 -0.22 -1.00 0.00 0.00 179.01 178.50 1sfc h LYS 76 N 0.98 -0.33 -0.37 2.33 3.64 -0.48 -2.12 116.57 120.23 1sfc h LYS 76 Ca 0.22 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.71 1sfc h LYS 76 Cb 0.23 0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 32.04 1sfc h LYS 76 CO -0.01 0.01 -0.17 -0.91 -2.27 0.00 0.00 179.45 176.10 1sfc h ASN 77 N -0.72 -0.57 -0.11 4.20 2.35 0.11 0.10 115.58 120.95 1sfc h ASN 77 Ca -0.03 0.14 0.02 0.00 -0.55 0.00 0.00 56.30 55.87 1sfc h ASN 77 Cb 0.49 0.32 -0.04 0.00 0.05 0.00 0.00 38.32 39.13 1sfc h ASN 77 CO 0.06 -0.20 -0.35 -0.07 -1.65 0.00 0.00 177.43 175.22 1sfc h LEU 78 N -0.10 -1.12 -0.84 1.61 3.38 -0.99 -1.53 115.31 115.72 1sfc h LEU 78 Ca 0.18 0.14 0.20 0.00 0.09 0.00 0.00 57.88 58.49 1sfc h LEU 78 Cb 0.38 0.44 -0.15 0.00 0.09 0.00 0.00 40.66 41.43 1sfc h LEU 78 CO -0.44 -0.30 0.04 0.50 0.09 0.00 0.00 178.44 178.33 1sfc h LYS 79 N -0.36 0.09 0.00 1.13 3.64 -0.56 0.89 116.57 121.40 1sfc h LYS 79 Ca 0.02 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1sfc h LYS 79 Cb 0.43 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1sfc h LYS 79 CO -0.29 0.06 0.00 -0.25 -2.27 0.00 0.00 179.45 176.70 1sfc n ASP 80 N -5.37 0.29 0.08 4.20 8.00 0.26 -2.33 116.55 121.69 1sfc n ASP 80 Ca 0.17 0.61 -0.17 0.00 0.71 0.00 0.00 54.79 56.11 1sfc n ASP 80 Cb 0.57 -0.66 -0.14 0.00 -0.02 0.00 0.00 41.12 40.87 1sfc n ASP 80 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1sfc h LEU 81 N 0.00 0.44 -1.61 0.64 3.38 0.14 -3.15 115.31 115.15 1sfc h LEU 81 Ca 0.00 -0.55 -0.02 0.00 0.09 0.00 0.00 57.88 57.40 1sfc h LEU 81 Cb 0.10 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1sfc h LEU 81 CO 0.00 1.45 0.02 0.61 0.09 0.00 0.00 178.44 180.61 1sfc n GLY 82 N 1.64 1.86 3.58 0.83 0.00 -0.98 -5.13 105.19 106.98 1sfc n GLY 82 Ca -0.14 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1sfc n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60