#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sfc n GLU 12 N 0.00 0.20 -0.03 1.96 1.02 -1.26 -2.61 120.64 119.92 1sfc n GLU 12 Ca 0.00 0.29 -0.14 0.00 -0.02 0.00 0.00 57.16 57.29 1sfc n GLU 12 Cb 0.00 -1.79 -0.10 0.00 -0.02 0.00 0.00 31.44 29.53 1sfc n GLU 12 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1sfc h GLU 13 N 0.00 0.18 -0.28 3.49 5.08 -2.05 -3.10 114.58 117.89 1sfc h GLU 13 Ca 0.00 -0.14 0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1sfc h GLU 13 Cb 0.52 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 1sfc h GLU 13 CO 0.00 0.78 -0.08 0.52 -1.00 0.00 0.00 179.01 179.22 1sfc h MET 14 N -0.38 -0.02 -0.27 2.33 2.86 -1.93 0.65 114.93 118.16 1sfc h MET 14 Ca -0.01 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.71 1sfc h MET 14 Cb 0.80 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 1sfc h MET 14 CO 0.03 -0.01 0.26 1.96 1.06 0.00 0.00 176.91 180.21 1sfc h GLN 15 N -0.02 0.00 0.19 1.72 4.20 -1.59 0.34 115.11 119.95 1sfc h GLN 15 Ca 0.14 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.52 1sfc h GLN 15 Cb 0.23 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.03 1sfc h GLN 15 CO -0.30 0.00 -1.56 0.00 -0.67 0.00 0.00 178.83 176.30 1sfc h ARG 16 N 0.00 0.39 0.49 1.46 2.47 -1.02 -2.97 114.38 115.20 1sfc h ARG 16 Ca 0.13 -0.67 -0.02 0.00 -1.26 0.00 0.00 59.98 58.15 1sfc h ARG 16 Cb 0.65 0.25 0.00 0.00 -1.65 0.00 0.00 29.97 29.22 1sfc h ARG 16 CO -0.00 1.30 -0.23 -0.09 0.56 0.00 0.00 179.97 181.50 1sfc h ARG 17 N 0.11 -0.63 -0.17 0.04 9.65 0.13 0.11 114.38 123.62 1sfc h ARG 17 Ca -0.27 0.04 0.05 0.00 -1.10 0.00 0.00 59.98 58.70 1sfc h ARG 17 Cb 2.09 0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 30.81 1sfc h ARG 17 CO 0.21 -0.36 0.15 0.00 2.80 0.00 0.00 179.97 182.77 1sfc h ALA 18 N -0.37 1.96 0.00 2.80 0.00 -0.59 0.45 119.26 123.51 1sfc h ALA 18 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1sfc h ALA 18 Cb 0.57 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1sfc h ALA 18 CO 0.11 -0.24 -0.38 0.22 0.00 0.00 0.00 179.25 178.96 1sfc h ASP 19 N 0.00 0.00 0.03 0.00 1.82 -1.28 -3.07 116.42 113.92 1sfc h ASP 19 Ca 0.08 -0.02 -0.14 0.00 -0.39 0.00 0.00 57.03 56.56 1sfc h ASP 19 Cb 0.38 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.38 1sfc h ASP 19 CO -0.00 0.01 -0.75 -0.61 -1.61 0.00 0.00 179.24 176.28 1sfc h GLN 20 N 0.00 0.06 0.00 0.28 4.15 0.20 -3.30 115.11 116.50 1sfc h GLN 20 Ca 0.00 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.32 1sfc h GLN 20 Cb 0.94 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.67 1sfc h GLN 20 CO 0.00 1.05 0.00 1.28 -1.93 0.00 0.00 178.83 179.23 1sfc n LEU 21 N -4.40 0.00 -0.12 -2.39 4.77 0.13 -0.57 117.00 114.41 1sfc n LEU 21 Ca -0.21 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.61 1sfc n LEU 21 Cb 0.64 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.61 1sfc n LEU 21 CO 0.30 0.00 -1.29 0.00 -1.33 0.00 0.00 177.39 175.07 1sfc n ALA 22 N -0.71 1.47 -0.06 -1.18 0.00 -1.16 -3.66 120.51 115.21 1sfc n ALA 22 Ca 0.02 -1.13 -0.12 0.00 0.00 0.00 0.00 53.44 52.21 1sfc n ALA 22 Cb 0.01 -0.10 -0.11 0.00 0.00 0.00 0.00 19.45 19.25 1sfc n ALA 22 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1sfc h ASP 23 N 0.00 -0.01 -0.16 0.00 5.19 -1.03 -0.20 116.42 120.22 1sfc h ASP 23 Ca -0.56 -0.78 0.05 0.00 -0.62 0.00 0.00 57.03 55.12 1sfc h ASP 23 Cb 1.95 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.46 1sfc h ASP 23 CO -0.06 0.85 0.22 -0.08 -3.12 0.00 0.00 179.24 177.05 1sfc h GLU 24 N -0.96 0.00 0.11 3.56 4.81 -1.07 0.28 114.58 121.31 1sfc h GLU 24 Ca -0.00 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.86 1sfc h GLU 24 Cb 0.79 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 1sfc h GLU 24 CO 0.00 0.00 -2.02 0.45 -0.73 0.00 0.00 179.01 176.72 1sfc n SER 25 N -3.59 2.06 0.02 1.04 2.88 -1.22 -3.65 113.62 111.15 1sfc n SER 25 Ca 0.01 0.20 -0.09 0.00 -1.33 0.00 0.00 58.87 57.66 1sfc n SER 25 Cb 0.33 -0.80 0.06 0.00 -0.75 0.00 0.00 64.21 63.05 1sfc n SER 25 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1sfc h LEU 26 N 0.06 0.57 -1.32 2.46 7.12 -0.02 -2.68 115.31 121.50 1sfc h LEU 26 Ca -0.43 -0.32 -0.02 0.00 0.13 0.00 0.00 57.88 57.24 1sfc h LEU 26 Cb 2.03 -0.16 -0.02 0.00 -0.53 0.00 0.00 40.66 41.97 1sfc h LEU 26 CO 0.08 1.03 0.18 -0.33 -0.13 0.00 0.00 178.44 179.27 1sfc h GLU 27 N 0.38 0.65 0.42 1.25 4.39 -0.66 -1.98 114.58 119.02 1sfc h GLU 27 Ca -0.00 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 1sfc h GLU 27 Cb 1.13 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.64 1sfc h GLU 27 CO 0.11 0.54 -0.41 1.03 -1.16 0.00 0.00 179.01 179.12 1sfc h SER 28 N 0.65 -1.12 -0.95 1.42 0.87 -1.55 -0.96 113.55 111.91 1sfc h SER 28 Ca 0.16 0.09 0.22 0.00 -1.23 0.00 0.00 61.79 61.03 1sfc h SER 28 Cb 0.13 0.37 -0.12 0.00 -0.44 0.00 0.00 62.40 62.34 1sfc h SER 28 CO -0.02 -0.54 0.51 0.71 -0.53 0.00 0.00 176.83 176.97 1sfc h THR 29 N -0.82 0.55 -0.26 2.23 1.35 -1.32 0.30 112.91 114.93 1sfc h THR 29 Ca -0.05 -0.19 0.05 0.00 -0.55 0.00 0.00 66.41 65.67 1sfc h THR 29 Cb 0.71 -0.04 -0.05 0.00 -1.73 0.00 0.00 68.15 67.04 1sfc h THR 29 CO -0.05 0.10 -0.06 0.03 -0.25 0.00 0.00 175.52 175.30 1sfc h ARG 30 N 0.54 0.01 -0.08 4.72 3.08 -0.60 0.23 114.38 122.28 1sfc h ARG 30 Ca 0.59 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.64 1sfc h ARG 30 Cb 1.09 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.13 1sfc h ARG 30 CO -0.47 0.00 0.05 0.00 -1.07 0.00 0.00 179.97 178.48 1sfc h ARG 31 N 0.01 0.11 -0.45 0.04 3.08 0.78 -2.27 114.38 115.68 1sfc h ARG 31 Ca 0.12 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.23 1sfc h ARG 31 Cb 0.19 -0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.12 1sfc h ARG 31 CO -0.26 0.10 -0.50 0.52 -1.07 0.00 0.00 179.97 178.76 1sfc h MET 32 N 0.08 -0.33 -0.74 0.04 2.86 -0.21 0.11 114.93 116.74 1sfc h MET 32 Ca 0.03 0.02 0.17 0.00 -2.06 0.00 0.00 59.70 57.86 1sfc h MET 32 Cb 0.02 0.07 -0.12 0.00 0.06 0.00 0.00 31.60 31.64 1sfc h MET 32 CO -0.01 -0.22 0.11 1.25 1.06 0.00 0.00 176.91 179.10 1sfc h LEU 33 N -0.34 -0.14 -1.97 1.22 5.85 -0.69 0.47 115.31 119.72 1sfc h LEU 33 Ca 0.12 0.17 0.00 0.00 0.84 0.00 0.00 57.88 59.00 1sfc h LEU 33 Cb 0.59 0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.87 1sfc h LEU 33 CO -0.62 -0.10 0.00 0.00 -0.34 0.00 0.00 178.44 177.38 1sfc n GLN 34 N -5.24 2.53 -0.08 1.25 -0.00 -0.48 -2.33 117.38 113.04 1sfc n GLN 34 Ca 0.14 -1.68 -0.12 0.00 -0.00 0.00 0.00 57.00 55.34 1sfc n GLN 34 Cb 0.47 -1.59 -0.07 0.00 -0.00 0.00 0.00 30.24 29.05 1sfc n GLN 34 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1sfc n LEU 35 N 0.60 2.54 0.09 2.61 7.94 0.87 -3.94 117.00 127.72 1sfc n LEU 35 Ca 0.15 -0.01 -0.02 0.00 -1.11 0.00 0.00 56.01 55.01 1sfc n LEU 35 Cb 0.55 -0.52 0.21 0.00 0.53 0.00 0.00 43.42 44.19 1sfc n LEU 35 CO 0.14 0.66 0.62 0.58 -1.11 0.00 0.00 177.39 178.27 1sfc h VAL 36 N -0.14 1.32 -0.29 1.96 2.07 -0.29 -2.28 116.25 118.61 1sfc h VAL 36 Ca -0.36 -1.60 -0.18 0.00 0.82 0.00 0.00 66.70 65.39 1sfc h VAL 36 Cb 1.48 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.99 1sfc h VAL 36 CO -0.10 0.48 -0.52 -0.33 0.02 0.00 0.00 177.57 177.11 1sfc h GLU 37 N 0.19 0.86 -0.32 1.57 4.39 -1.67 -1.23 114.58 118.37 1sfc h GLU 37 Ca 0.01 -0.54 -0.03 0.00 0.34 0.00 0.00 59.36 59.14 1sfc h GLU 37 Cb 0.86 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.56 1sfc h GLU 37 CO 0.07 1.18 0.07 0.93 -1.16 0.00 0.00 179.01 180.09 1sfc h GLU 38 N 0.64 0.46 -0.46 2.33 5.08 -1.63 -1.07 114.58 119.92 1sfc h GLU 38 Ca 0.02 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 1sfc h GLU 38 Cb 1.13 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 1sfc h GLU 38 CO 0.12 0.43 -0.05 0.77 -1.00 0.00 0.00 179.01 179.28 1sfc h SER 39 N 0.45 0.83 -0.71 1.42 0.02 -1.14 -1.47 113.55 112.95 1sfc h SER 39 Ca 0.11 -0.33 -0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1sfc h SER 39 Cb 0.19 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 1sfc h SER 39 CO -0.00 0.97 0.44 0.50 -1.14 0.00 0.00 176.83 177.59 1sfc h LYS 40 N 0.68 0.97 0.07 3.45 3.64 -0.02 0.63 116.57 126.00 1sfc h LYS 40 Ca 0.12 -0.08 -0.24 0.00 -1.27 0.00 0.00 60.65 59.18 1sfc h LYS 40 Cb 0.57 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1sfc h LYS 40 CO 0.03 0.68 -1.11 -0.44 -2.27 0.00 0.00 179.45 176.35 1sfc h ASP 41 N 0.99 0.27 0.51 4.20 3.32 -1.13 -2.25 116.42 122.33 1sfc h ASP 41 Ca 0.26 -0.27 -0.10 0.00 0.02 0.00 0.00 57.03 56.94 1sfc h ASP 41 Cb -0.05 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1sfc h ASP 41 CO -0.05 1.19 -0.45 0.00 -1.72 0.00 0.00 179.24 178.21 1sfc h ALA 42 N 0.77 1.19 -0.21 3.45 0.00 -0.85 -0.33 119.26 123.29 1sfc h ALA 42 Ca -0.08 -0.41 -0.20 0.00 0.00 0.00 0.00 54.91 54.22 1sfc h ALA 42 Cb 1.83 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.55 1sfc h ALA 42 CO 0.17 0.57 -0.64 0.78 0.00 0.00 0.00 179.25 180.13 1sfc h GLY 43 N 1.47 0.89 0.82 0.00 0.00 -0.80 0.46 103.07 105.92 1sfc h GLY 43 Ca -0.00 -1.15 -0.03 0.00 0.00 0.00 0.00 47.33 46.15 1sfc h GLY 43 CO 0.06 1.02 0.01 -2.22 0.00 0.00 0.00 176.54 175.42 1sfc h ILE 44 N 0.56 1.24 0.03 2.60 2.04 -1.18 0.21 117.51 123.02 1sfc h ILE 44 Ca -0.02 -0.81 0.03 0.00 1.00 0.00 0.00 64.86 65.06 1sfc h ILE 44 Cb 1.26 1.39 -0.05 0.00 -0.74 0.00 0.00 36.82 38.68 1sfc h ILE 44 CO 0.14 0.25 -0.39 -0.09 0.00 0.00 0.00 178.15 178.05 1sfc h ARG 45 N 0.11 -0.55 0.03 2.37 9.65 -1.02 0.11 114.38 125.08 1sfc h ARG 45 Ca 0.06 0.04 0.01 0.00 -1.10 0.00 0.00 59.98 58.99 1sfc h ARG 45 Cb 0.36 0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 29.02 1sfc h ARG 45 CO 0.01 -0.36 -0.41 1.15 2.80 0.00 0.00 179.97 183.15 1sfc h THR 46 N -0.57 0.00 -0.98 0.20 2.02 -0.66 0.60 112.91 113.53 1sfc h THR 46 Ca 0.04 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.43 1sfc h THR 46 Cb 0.63 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.95 1sfc h THR 46 CO -0.28 0.00 0.62 -0.07 0.37 0.00 0.00 175.52 176.15 1sfc h LEU 47 N -0.54 0.64 -0.54 2.58 3.38 -0.30 0.16 115.31 120.69 1sfc h LEU 47 Ca 0.00 0.08 -0.15 0.00 0.09 0.00 0.00 57.88 57.90 1sfc h LEU 47 Cb 0.57 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1sfc h LEU 47 CO -0.26 0.22 -0.47 0.58 0.09 0.00 0.00 178.44 178.60 1sfc h VAL 48 N 0.62 1.30 -0.11 1.22 2.07 0.08 -1.28 116.25 120.15 1sfc h VAL 48 Ca 0.55 -1.67 -0.04 0.00 0.82 0.00 0.00 66.70 66.35 1sfc h VAL 48 Cb 1.05 1.62 -0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1sfc h VAL 48 CO -0.31 0.53 -0.09 0.24 0.02 0.00 0.00 177.57 177.96 1sfc h MET 49 N 0.51 0.26 -0.28 1.57 2.86 0.14 -2.27 114.93 117.72 1sfc h MET 49 Ca 0.03 -0.13 0.06 0.00 -2.06 0.00 0.00 59.70 57.61 1sfc h MET 49 Cb 1.01 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.60 1sfc h MET 49 CO 0.09 0.64 -0.17 -0.07 1.06 0.00 0.00 176.91 178.47 1sfc h LEU 50 N -0.13 -0.55 -0.53 1.22 4.07 -0.76 0.11 115.31 118.73 1sfc h LEU 50 Ca 0.02 0.12 0.09 0.00 0.08 0.00 0.00 57.88 58.20 1sfc h LEU 50 Cb 0.58 0.29 -0.07 0.00 1.08 0.00 0.00 40.66 42.54 1sfc h LEU 50 CO 0.02 -0.20 0.11 -0.78 -1.08 0.00 0.00 178.44 176.51 1sfc h ASP 51 N -0.14 0.00 -0.14 -0.43 3.58 -1.20 0.33 116.42 118.43 1sfc h ASP 51 Ca 0.15 0.10 -0.04 0.00 0.42 0.00 0.00 57.03 57.65 1sfc h ASP 51 Cb 0.37 0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.55 1sfc h ASP 51 CO -0.37 0.02 -0.08 -0.08 -2.88 0.00 0.00 179.24 175.86 1sfc h GLU 52 N 0.25 0.31 -0.96 0.28 4.57 -0.71 -2.51 114.58 115.79 1sfc h GLU 52 Ca 0.27 -0.14 0.09 0.00 -1.18 0.00 0.00 59.36 58.41 1sfc h GLU 52 Cb 0.38 -0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 28.89 1sfc h GLU 52 CO -0.35 0.65 0.60 1.96 -1.18 0.00 0.00 179.01 180.69 1sfc h GLN 53 N -0.04 0.99 -0.55 1.92 4.20 -0.43 0.17 115.11 121.37 1sfc h GLN 53 Ca 0.03 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.70 1sfc h GLN 53 Cb 0.56 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 1sfc h GLN 53 CO 0.02 0.66 0.36 0.78 -0.67 0.00 0.00 178.83 179.98 1sfc h GLY 54 N 1.02 0.74 2.00 3.46 0.00 -0.18 0.22 103.07 110.33 1sfc h GLY 54 Ca 0.45 -0.27 -0.07 0.00 0.00 0.00 0.00 47.33 47.45 1sfc h GLY 54 CO -0.23 0.25 -0.32 0.83 0.00 0.00 0.00 176.54 177.08 1sfc h GLU 55 N 0.69 0.00 -0.18 4.80 5.08 -0.31 -1.15 114.58 123.51 1sfc h GLU 55 Ca 0.21 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.39 1sfc h GLU 55 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1sfc h GLU 55 CO -0.05 0.32 -0.64 1.96 -1.00 0.00 0.00 179.01 179.60 1sfc h GLN 56 N 0.00 0.64 -0.57 2.33 4.20 0.10 -2.46 115.11 119.35 1sfc h GLN 56 Ca -0.00 -0.45 -0.07 0.00 0.06 0.00 0.00 58.65 58.19 1sfc h GLN 56 Cb 0.96 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.79 1sfc h GLN 56 CO 0.04 1.07 0.09 -0.07 -0.67 0.00 0.00 178.83 179.29 1sfc h LEU 57 N 0.47 0.91 -1.57 1.46 3.38 -0.50 -0.47 115.31 118.99 1sfc h LEU 57 Ca -0.01 -0.26 0.10 0.00 0.09 0.00 0.00 57.88 57.79 1sfc h LEU 57 Cb 1.22 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.69 1sfc h LEU 57 CO 0.12 0.94 0.43 0.44 0.09 0.00 0.00 178.44 180.46 1sfc h ASP 58 N 0.84 0.43 -0.07 -0.43 3.32 -1.08 0.24 116.42 119.68 1sfc h ASP 58 Ca 0.17 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.17 1sfc h ASP 58 Cb 0.42 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1sfc h ASP 58 CO 0.01 0.26 -0.19 0.03 -1.72 0.00 0.00 179.24 177.63 1sfc h ARG 59 N 0.48 0.26 -0.99 3.56 3.08 -0.91 -2.12 114.38 117.75 1sfc h ARG 59 Ca 0.29 -0.18 0.12 0.00 0.07 0.00 0.00 59.98 60.29 1sfc h ARG 59 Cb 0.51 0.03 -0.09 0.00 0.08 0.00 0.00 29.97 30.51 1sfc h ARG 59 CO -0.09 0.79 0.61 0.28 -1.07 0.00 0.00 179.97 180.50 1sfc h VAL 60 N -0.23 0.90 -0.12 2.04 2.07 0.44 0.46 116.25 121.81 1sfc h VAL 60 Ca -0.00 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1sfc h VAL 60 Cb 0.80 -0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1sfc h VAL 60 CO 0.04 0.17 -0.00 -0.08 0.02 0.00 0.00 177.57 177.72 1sfc h GLU 61 N 0.96 0.20 -0.87 1.57 4.81 -0.56 -1.91 114.58 118.78 1sfc h GLU 61 Ca 0.49 -0.07 0.09 0.00 -0.13 0.00 0.00 59.36 59.74 1sfc h GLU 61 Cb 0.51 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.81 1sfc h GLU 61 CO -0.27 0.46 0.57 1.49 -0.73 0.00 0.00 179.01 180.52 1sfc h GLU 62 N -0.07 0.87 -0.50 1.92 4.81 -0.59 0.24 114.58 121.27 1sfc h GLU 62 Ca 0.03 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 1sfc h GLU 62 Cb 0.37 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1sfc h GLU 62 CO 0.01 0.58 0.04 0.78 -0.73 0.00 0.00 179.01 179.69 1sfc h GLY 63 N 0.90 0.86 1.01 1.92 0.00 -0.66 0.34 103.07 107.44 1sfc h GLY 63 Ca 0.39 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 1sfc h GLY 63 CO -0.16 0.51 0.33 -0.33 0.00 0.00 0.00 176.54 176.89 1sfc h MET 64 N 0.75 0.99 -0.64 4.80 2.86 0.19 -0.35 114.93 123.53 1sfc h MET 64 Ca 0.15 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1sfc h MET 64 Cb 0.40 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 1sfc h MET 64 CO 0.01 0.78 0.37 -0.91 1.06 0.00 0.00 176.91 178.22 1sfc h ASN 65 N 0.95 0.78 -0.80 1.22 -0.26 0.20 -0.46 115.58 117.21 1sfc h ASN 65 Ca 0.24 -0.07 -0.04 0.00 -0.56 0.00 0.00 56.30 55.86 1sfc h ASN 65 Cb 0.12 -0.20 -0.04 0.00 -1.06 0.00 0.00 38.32 37.14 1sfc h ASN 65 CO -0.03 0.63 0.33 -0.74 -1.06 0.00 0.00 177.43 176.55 1sfc h HIS 66 N 0.87 1.21 -0.34 1.19 2.76 0.19 -0.99 115.15 120.05 1sfc h HIS 66 Ca 0.23 -0.09 -0.06 0.00 -2.20 0.00 0.00 60.37 58.25 1sfc h HIS 66 Cb 0.00 -0.36 -0.02 0.00 1.55 0.00 0.00 27.41 28.58 1sfc h HIS 66 CO -0.01 0.91 -0.05 0.82 -1.30 0.00 0.00 177.93 178.30 1sfc h ILE 67 N 1.17 1.22 0.12 6.26 2.04 -0.65 0.80 117.51 128.47 1sfc h ILE 67 Ca 0.27 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 1sfc h ILE 67 Cb 0.21 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1sfc h ILE 67 CO -0.02 0.30 -0.06 -1.13 0.00 0.00 0.00 178.15 177.25 1sfc h ASN 68 N 0.52 -0.13 0.33 1.72 -0.73 -0.16 0.79 115.58 117.90 1sfc h ASN 68 Ca 0.10 -0.06 -0.02 0.00 1.87 0.00 0.00 56.30 58.20 1sfc h ASN 68 Cb 0.41 0.03 0.00 0.00 0.27 0.00 0.00 38.32 39.04 1sfc h ASN 68 CO 0.02 -0.03 -0.16 1.56 -0.37 0.00 0.00 177.43 178.45 1sfc h GLN 69 N -0.23 -0.43 -0.60 6.67 4.20 -0.82 -2.97 115.11 120.93 1sfc h GLN 69 Ca -0.02 0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.75 1sfc h GLN 69 Cb 0.19 0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 1sfc h GLN 69 CO 0.03 -0.22 0.40 -0.44 -0.67 0.00 0.00 178.83 177.92 1sfc h ASP 70 N -0.54 0.63 0.20 1.46 5.19 -0.83 -1.37 116.42 121.17 1sfc h ASP 70 Ca -0.05 -0.01 -0.05 0.00 -0.62 0.00 0.00 57.03 56.30 1sfc h ASP 70 Cb 0.40 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.75 1sfc h ASP 70 CO 0.07 0.45 -0.22 0.24 -3.12 0.00 0.00 179.24 176.66 1sfc h MET 71 N 0.74 0.05 -0.17 3.56 2.86 -0.69 -1.14 114.93 120.14 1sfc h MET 71 Ca 0.23 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.88 1sfc h MET 71 Cb 0.02 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 1sfc h MET 71 CO -0.06 0.27 0.06 -0.22 1.06 0.00 0.00 176.91 178.01 1sfc h LYS 72 N 0.04 0.14 -0.74 1.72 3.64 -1.10 0.21 116.57 120.49 1sfc h LYS 72 Ca 0.01 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1sfc h LYS 72 Cb 0.41 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 1sfc h LYS 72 CO 0.03 0.09 0.28 0.93 -2.27 0.00 0.00 179.45 178.51 1sfc h GLU 73 N 0.14 1.11 0.04 1.90 4.39 -1.36 -2.17 114.58 118.63 1sfc h GLU 73 Ca 0.07 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.56 1sfc h GLU 73 Cb 0.04 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.51 1sfc h GLU 73 CO -0.07 0.91 -0.02 0.00 -1.16 0.00 0.00 179.01 178.67 1sfc h ALA 74 N 1.14 -0.06 -0.33 3.43 0.00 -0.61 -0.13 119.26 122.70 1sfc h ALA 74 Ca 0.24 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.18 1sfc h ALA 74 Cb 0.23 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1sfc h ALA 74 CO -0.02 -0.53 0.12 0.93 0.00 0.00 0.00 179.25 179.75 1sfc h GLU 75 N -0.06 0.26 0.00 0.00 5.08 -0.40 0.24 114.58 119.70 1sfc h GLU 75 Ca -0.00 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 1sfc h GLU 75 Cb 0.05 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1sfc h GLU 75 CO 0.00 0.17 -0.38 1.57 -1.00 0.00 0.00 179.01 179.38 1sfc h LYS 76 N 0.27 0.00 -0.21 2.33 2.10 -1.27 -0.68 116.57 119.11 1sfc h LYS 76 Ca 0.15 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.69 1sfc h LYS 76 Cb 0.11 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.43 1sfc h LYS 76 CO -0.15 0.38 -0.33 -0.91 -2.00 0.00 0.00 179.45 176.44 1sfc h ASN 77 N 0.00 0.44 -0.42 7.07 2.35 0.08 0.98 115.58 126.09 1sfc h ASN 77 Ca -0.00 -0.17 -0.07 0.00 -0.55 0.00 0.00 56.30 55.51 1sfc h ASN 77 Cb 0.82 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 1sfc h ASN 77 CO 0.05 0.75 -0.01 -0.07 -1.65 0.00 0.00 177.43 176.50 1sfc h LEU 78 N 0.37 0.73 -0.06 1.61 3.38 0.31 -2.67 115.31 118.99 1sfc h LEU 78 Ca 0.05 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.71 1sfc h LEU 78 Cb 0.76 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1sfc h LEU 78 CO 0.06 0.87 -0.01 0.11 0.09 0.00 0.00 178.44 179.56 1sfc h LYS 79 N 0.58 0.01 -0.13 1.13 1.57 -0.50 0.31 116.57 119.53 1sfc h LYS 79 Ca 0.12 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.94 1sfc h LYS 79 Cb 0.50 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1sfc h LYS 79 CO 0.02 0.01 0.23 -0.44 -0.57 0.00 0.00 179.45 178.70 1sfc h ASP 80 N 0.01 0.00 0.20 0.86 3.32 -0.75 -0.22 116.42 119.83 1sfc h ASP 80 Ca 0.03 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.78 1sfc h ASP 80 Cb 0.04 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.61 1sfc h ASP 80 CO -0.05 0.00 -1.38 -0.07 -1.72 0.00 0.00 179.24 176.02 1sfc h LEU 81 N 0.00 0.65 0.00 1.55 3.38 -0.73 -3.23 115.31 116.93 1sfc h LEU 81 Ca 0.06 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.11 1sfc h LEU 81 Cb 0.53 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1sfc h LEU 81 CO -0.00 1.65 0.00 0.61 0.09 0.00 0.00 178.44 180.79 1sfc n GLY 82 N 1.74 -0.89 0.00 0.83 0.00 -0.08 -5.11 105.19 101.69 1sfc n GLY 82 Ca -0.19 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1sfc n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60