#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cra s SER 2 N 0.00 -0.71 -0.10 1.61 0.01 -1.26 -5.06 113.70 108.19 2cra s SER 2 Ca 0.00 1.25 0.04 0.00 1.31 0.00 0.00 55.95 58.56 2cra s SER 2 Cb 0.00 1.23 -0.09 0.00 0.21 0.00 0.00 66.02 67.37 2cra s SER 2 CO 0.00 -0.32 -0.03 -1.20 0.41 0.00 0.00 173.24 172.09 2cra n SER 3 N 2.30 2.96 -4.39 2.44 7.64 -1.26 -4.88 113.62 118.43 2cra n SER 3 Ca -0.15 -0.03 -0.45 0.00 1.01 0.00 0.00 58.87 59.25 2cra n SER 3 Cb 0.56 0.28 -0.03 0.00 -1.01 0.00 0.00 64.21 64.00 2cra n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cra s GLY 4 N -4.59 1.97 0.54 0.23 0.00 -1.26 -4.87 107.32 99.33 2cra s GLY 4 Ca -0.10 -2.56 0.25 0.00 0.00 0.00 0.00 44.72 42.31 2cra s GLY 4 CO 0.31 1.65 2.14 1.76 0.00 0.00 0.00 173.10 178.96 2cra h SER 5 N 8.84 0.00 -2.26 1.64 0.02 -2.04 -3.08 113.55 116.67 2cra h SER 5 Ca -0.10 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.26 2cra h SER 5 Cb 1.06 0.00 -0.42 0.00 0.14 0.00 0.00 62.40 63.18 2cra h SER 5 CO 1.04 0.07 -0.67 -1.54 -1.14 0.00 0.00 176.83 174.59 2cra n SER 6 N -3.92 4.15 -0.45 3.07 3.41 -1.26 -5.09 113.62 113.54 2cra n SER 6 Ca -0.02 -3.61 0.00 0.00 -0.26 0.00 0.00 58.87 54.98 2cra n SER 6 Cb 0.16 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 2cra n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cra n GLY 7 N -0.05 -0.59 3.38 5.00 0.00 -1.17 -4.78 105.19 106.98 2cra n GLY 7 Ca 0.30 -1.04 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 2cra n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cra s ARG 8 N 0.00 3.27 0.00 1.61 1.81 -1.26 -4.54 118.95 119.85 2cra s ARG 8 Ca 0.00 -0.69 0.00 0.00 -1.72 0.00 0.00 55.73 53.32 2cra s ARG 8 Cb 0.00 -2.59 -0.00 0.00 -0.45 0.00 0.00 34.95 31.91 2cra s ARG 8 CO 0.00 0.26 0.00 1.63 -0.68 0.00 0.00 175.30 176.52 2cra n LYS 9 N 3.37 0.36 -3.28 3.54 4.76 -1.26 -5.09 118.16 120.57 2cra n LYS 9 Ca -0.18 -0.04 -0.44 0.00 -2.87 0.00 0.00 58.31 54.78 2cra n LYS 9 Cb 0.53 0.03 -0.00 0.00 -1.84 0.00 0.00 35.03 33.74 2cra n LYS 9 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 2cra n LYS 10 N -0.01 3.71 -0.70 1.97 2.85 -1.26 -5.05 118.16 119.67 2cra n LYS 10 Ca 0.00 -4.48 -0.33 0.00 -1.05 0.00 0.00 58.31 52.45 2cra n LYS 10 Cb 0.01 -2.53 0.16 0.00 -0.65 0.00 0.00 35.03 32.01 2cra n LYS 10 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2cra n ARG 11 N 2.35 -1.33 -1.65 -1.58 5.12 -1.26 -4.82 116.66 113.49 2cra n ARG 11 Ca 0.24 -0.37 -0.45 0.00 -1.93 0.00 0.00 57.85 55.34 2cra n ARG 11 Cb 0.38 -1.70 -0.03 0.00 -1.16 0.00 0.00 32.46 29.95 2cra n ARG 11 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 2cra n ILE 12 N -4.25 1.04 -0.94 0.55 2.08 -1.26 -4.99 119.36 111.59 2cra n ILE 12 Ca 0.01 -0.26 0.00 0.00 0.56 0.00 0.00 62.75 63.06 2cra n ILE 12 Cb 0.61 -1.33 0.00 0.00 -0.75 0.00 0.00 39.64 38.17 2cra n ILE 12 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 2cra n PRO 13 N 1.83 -0.05 -2.16 0.38 -0.04 -1.26 -4.92 135.00 128.78 2cra n PRO 13 Ca 0.12 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.57 2cra n PRO 13 Cb 0.30 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.76 2cra n PRO 13 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2cra n TYR 14 N -1.99 -3.92 -0.51 0.54 4.01 -1.26 -5.00 117.16 109.02 2cra n TYR 14 Ca 0.00 2.33 -0.19 0.00 -0.16 0.00 0.00 57.90 59.88 2cra n TYR 14 Cb 0.00 -3.52 0.17 0.00 -0.31 0.00 0.00 39.34 35.68 2cra n TYR 14 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2cra n SER 15 N 1.49 -2.48 -0.08 7.72 3.41 -1.26 -4.65 113.62 117.77 2cra n SER 15 Ca -0.07 -0.74 -0.14 0.00 -0.26 0.00 0.00 58.87 57.65 2cra n SER 15 Cb 0.11 -0.62 -0.05 0.00 -0.26 0.00 0.00 64.21 63.38 2cra n SER 15 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2cra h LYS 16 N 0.00 0.74 0.00 4.33 6.56 -1.98 -1.92 116.57 124.30 2cra h LYS 16 Ca -0.25 -0.46 -0.05 0.00 -1.06 0.00 0.00 60.65 58.83 2cra h LYS 16 Cb 0.80 0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 32.50 2cra h LYS 16 CO 0.16 1.08 -0.26 0.78 -2.06 0.00 0.00 179.45 179.15 2cra h GLY 17 N 0.48 0.00 0.07 3.86 0.00 -2.00 -1.06 103.07 104.42 2cra h GLY 17 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 2cra h GLY 17 CO 0.10 0.00 -0.02 1.46 0.00 0.00 0.00 176.54 178.08 2cra h GLN 18 N 0.00 -0.05 -0.01 4.80 4.20 -1.88 -3.31 115.11 118.85 2cra h GLN 18 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2cra h GLN 18 Cb 0.49 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.28 2cra h GLN 18 CO 0.03 0.39 0.01 -0.07 -0.67 0.00 0.00 178.83 178.52 2cra h LEU 19 N -0.98 0.00 -0.95 1.46 3.38 -1.36 -2.12 115.31 114.74 2cra h LEU 19 Ca -0.01 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.12 2cra h LEU 19 Cb 0.46 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.11 2cra h LEU 19 CO 0.01 0.00 0.56 0.03 0.09 0.00 0.00 178.44 179.13 2cra h ARG 20 N 0.00 0.76 0.16 1.13 3.08 -1.27 0.18 114.38 118.42 2cra h ARG 20 Ca 0.01 -0.05 -0.30 0.00 0.07 0.00 0.00 59.98 59.71 2cra h ARG 20 Cb 0.03 -0.17 0.02 0.00 0.08 0.00 0.00 29.97 29.94 2cra h ARG 20 CO -0.00 0.50 -1.30 0.93 -1.07 0.00 0.00 179.97 179.04 2cra h GLU 21 N 0.79 0.50 0.07 0.04 4.39 -1.53 -3.03 114.58 115.80 2cra h GLU 21 Ca 0.52 -0.74 -0.00 0.00 0.34 0.00 0.00 59.36 59.47 2cra h GLU 21 Cb 0.70 0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.61 2cra h GLU 21 CO -0.34 1.34 -0.04 -0.07 -1.16 0.00 0.00 179.01 178.74 2cra h LEU 22 N 0.18 -0.08 -1.27 1.33 3.38 -1.18 -1.68 115.31 115.98 2cra h LEU 22 Ca -0.19 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 2cra h LEU 22 Cb 1.98 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 42.72 2cra h LEU 22 CO 0.24 -0.05 0.40 -0.33 0.09 0.00 0.00 178.44 178.79 2cra h GLU 23 N -0.11 0.90 0.42 1.13 5.08 -0.80 -0.16 114.58 121.04 2cra h GLU 23 Ca -0.01 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 2cra h GLU 23 Cb 0.09 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.15 2cra h GLU 23 CO 0.02 0.63 -0.20 0.00 -1.00 0.00 0.00 179.01 178.45 2cra h ARG 24 N 0.91 -0.55 -0.63 2.33 3.08 -1.33 -0.63 114.38 117.56 2cra h ARG 24 Ca 0.24 0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.28 2cra h ARG 24 Cb -0.04 0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 2cra h ARG 24 CO -0.05 -0.33 0.21 0.93 -1.07 0.00 0.00 179.97 179.66 2cra h GLU 25 N -0.63 0.95 -0.25 0.04 3.07 -1.11 -2.88 114.58 113.78 2cra h GLU 25 Ca -0.06 -0.18 -0.00 0.00 -0.50 0.00 0.00 59.36 58.62 2cra h GLU 25 Cb 0.47 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.22 2cra h GLU 25 CO 0.10 0.81 0.15 -0.92 -1.40 0.00 0.00 179.01 177.74 2cra h TYR 26 N 0.92 0.32 -0.26 4.33 3.20 -0.86 -1.22 116.97 123.40 2cra h TYR 26 Ca 0.21 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.16 2cra h TYR 26 Cb 0.25 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 2cra h TYR 26 CO 0.02 0.24 0.25 0.00 -1.64 0.00 0.00 178.16 177.03 2cra h ALA 27 N 1.05 2.00 0.07 1.82 0.00 -0.90 -0.32 119.26 122.99 2cra h ALA 27 Ca 0.09 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.71 2cra h ALA 27 Cb 0.01 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2cra h ALA 27 CO -0.02 -0.39 -1.39 0.00 0.00 0.00 0.00 179.25 177.46 2cra h ALA 28 N 1.75 0.36 -1.70 0.00 0.00 -1.23 -3.47 119.26 114.97 2cra h ALA 28 Ca 0.13 -1.09 0.08 0.00 0.00 0.00 0.00 54.91 54.02 2cra h ALA 28 Cb 0.62 0.17 -0.24 0.00 0.00 0.00 0.00 17.79 18.34 2cra h ALA 28 CO -0.00 1.23 0.22 0.54 0.00 0.00 0.00 179.25 181.23 2cra s ASN 29 N -6.78 -0.70 0.57 0.00 2.20 -0.13 -5.02 114.94 105.07 2cra s ASN 29 Ca -0.05 1.11 0.25 0.00 -0.94 0.00 0.00 52.86 53.23 2cra s ASN 29 Cb 0.08 1.35 1.61 0.00 -2.00 0.00 0.00 41.25 42.29 2cra s ASN 29 CO 0.84 -0.17 2.19 0.07 -2.94 0.00 0.00 177.10 177.09 2cra h LYS 30 N 6.58 0.00 -4.24 3.55 2.10 -1.84 -3.37 116.57 119.35 2cra h LYS 30 Ca -0.28 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 57.84 2cra h LYS 30 Cb 1.20 0.00 -0.37 0.00 -0.90 0.00 0.00 32.23 32.16 2cra h LYS 30 CO 0.17 0.00 -0.80 -0.06 -2.00 0.00 0.00 179.45 176.76 2cra s PHE 31 N -4.78 1.58 0.81 0.07 0.08 -1.26 -4.81 117.98 109.66 2cra s PHE 31 Ca -0.05 -0.85 -0.08 0.00 0.12 0.00 0.00 56.93 56.08 2cra s PHE 31 Cb 0.16 -1.27 0.18 0.00 -0.57 0.00 0.00 43.02 41.51 2cra s PHE 31 CO 0.59 -0.55 1.11 0.44 -0.10 0.00 0.00 175.22 176.71 2cra n ILE 32 N 4.92 0.00 -4.31 0.64 -5.35 -1.26 -5.11 119.36 108.89 2cra n ILE 32 Ca -0.13 -1.22 -0.24 0.00 -0.27 0.00 0.00 62.75 60.89 2cra n ILE 32 Cb 0.49 -1.22 -0.08 0.00 -1.74 0.00 0.00 39.64 37.09 2cra n ILE 32 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2cra s THR 33 N -3.34 2.90 0.62 7.28 -1.32 -1.26 -4.96 115.64 115.56 2cra s THR 33 Ca 0.67 -1.97 0.33 0.00 -1.21 0.00 0.00 61.69 59.52 2cra s THR 33 Cb -0.03 -2.78 0.37 0.00 -1.51 0.00 0.00 72.50 68.56 2cra s THR 33 CO 0.46 -0.27 2.17 0.11 -2.21 0.00 0.00 174.62 174.88 2cra h LYS 34 N 1.85 0.00 0.00 7.08 1.57 -1.99 0.37 116.57 125.45 2cra h LYS 34 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 2cra h LYS 34 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2cra h LYS 34 CO 0.64 0.00 -0.21 -0.44 -0.57 0.00 0.00 179.45 178.87 2cra h ASP 35 N 0.00 0.00 0.04 0.86 5.19 -2.01 -3.16 116.42 117.34 2cra h ASP 35 Ca 0.04 -0.01 -0.38 0.00 -0.62 0.00 0.00 57.03 56.06 2cra h ASP 35 Cb 0.31 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.75 2cra h ASP 35 CO -0.00 0.01 -2.36 1.17 -3.12 0.00 0.00 179.24 174.93 2cra n LYS 36 N -2.87 0.67 0.24 3.56 3.00 0.94 -4.25 118.16 119.46 2cra n LYS 36 Ca 0.03 0.12 0.09 0.00 -0.00 0.00 0.00 58.31 58.55 2cra n LYS 36 Cb 0.52 -1.55 0.59 0.00 0.00 0.00 0.00 35.03 34.58 2cra n LYS 36 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 2cra h ARG 37 N 0.01 0.00 -0.36 1.64 2.43 -0.65 -2.55 114.38 114.90 2cra h ARG 37 Ca -0.54 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 58.54 2cra h ARG 37 Cb 2.02 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.56 2cra h ARG 37 CO -0.03 0.18 -0.13 0.07 -1.51 0.00 0.00 179.97 178.55 2cra h ARG 38 N 0.00 0.73 0.09 0.20 0.11 -1.73 -2.47 114.38 111.31 2cra h ARG 38 Ca -0.00 -0.30 -0.00 0.00 0.10 0.00 0.00 59.98 59.77 2cra h ARG 38 Cb 0.39 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.44 2cra h ARG 38 CO 0.02 0.90 -0.04 0.87 0.10 0.00 0.00 179.97 181.82 2cra h LYS 39 N 0.52 -0.12 -0.96 0.08 1.79 -1.66 -3.03 116.57 113.19 2cra h LYS 39 Ca 0.09 0.01 0.17 0.00 -2.18 0.00 0.00 60.65 58.73 2cra h LYS 39 Cb 0.66 0.03 -0.09 0.00 -1.58 0.00 0.00 32.23 31.25 2cra h LYS 39 CO 0.04 0.19 0.61 0.82 -1.08 0.00 0.00 179.45 180.03 2cra h ILE 40 N -0.43 0.78 -0.05 1.86 2.04 -1.50 0.28 117.51 120.48 2cra h ILE 40 Ca -0.01 -0.25 0.02 0.00 1.00 0.00 0.00 64.86 65.61 2cra h ILE 40 Cb 0.36 -0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.42 2cra h ILE 40 CO 0.02 0.13 0.04 -1.28 0.00 0.00 0.00 178.15 177.07 2cra h SER 41 N 0.74 0.00 0.67 1.72 0.87 -1.32 0.13 113.55 116.36 2cra h SER 41 Ca 0.51 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.93 2cra h SER 41 Cb 0.81 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.75 2cra h SER 41 CO -0.28 0.00 -1.44 0.00 -0.53 0.00 0.00 176.83 174.59 2cra n ALA 42 N -2.47 2.06 -0.04 6.23 0.00 0.83 -1.84 120.51 125.29 2cra n ALA 42 Ca -0.02 -0.53 -0.10 0.00 0.00 0.00 0.00 53.44 52.79 2cra n ALA 42 Cb 0.14 -0.93 -0.09 0.00 0.00 0.00 0.00 19.45 18.57 2cra n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cra h ALA 43 N 1.53 -0.04 -0.54 0.00 0.00 0.12 -3.33 119.26 117.00 2cra h ALA 43 Ca -0.15 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2cra h ALA 43 Cb 1.49 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2cra h ALA 43 CO 0.03 -0.07 0.00 0.25 0.00 0.00 0.00 179.25 179.46 2cra n THR 44 N -4.72 0.72 -3.06 0.00 -2.24 0.35 -4.93 114.28 100.40 2cra n THR 44 Ca -0.07 -0.76 -0.20 0.00 -2.27 0.00 0.00 64.05 60.74 2cra n THR 44 Cb 0.33 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 2cra n THR 44 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2cra n SER 45 N 1.23 -4.16 -4.87 3.42 7.64 -0.91 -4.93 113.62 111.04 2cra n SER 45 Ca 0.20 -0.22 -0.21 0.00 1.01 0.00 0.00 58.87 59.65 2cra n SER 45 Cb 0.51 -3.45 -0.03 0.00 -1.01 0.00 0.00 64.21 60.23 2cra n SER 45 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2cra s LEU 46 N -6.29 3.53 0.28 -3.43 1.43 -0.77 -4.98 118.68 108.47 2cra s LEU 46 Ca 0.28 -0.58 -0.07 0.00 -1.03 0.00 0.00 54.13 52.73 2cra s LEU 46 Cb -0.14 -2.19 -0.06 0.00 0.03 0.00 0.00 46.19 43.83 2cra s LEU 46 CO 0.34 -0.49 0.58 -0.55 0.23 0.00 0.00 176.35 176.47 2cra s SER 47 N -4.07 6.52 0.35 2.29 0.15 -1.26 -4.18 113.70 113.51 2cra s SER 47 Ca 0.44 0.85 0.10 0.00 0.70 0.00 0.00 55.95 58.04 2cra s SER 47 Cb -0.05 -2.20 0.86 0.00 -1.71 0.00 0.00 66.02 62.92 2cra s SER 47 CO 0.27 -0.18 1.83 -0.33 1.20 0.00 0.00 173.24 176.04 2cra h GLU 48 N 1.95 0.63 0.01 5.44 5.08 -1.96 -1.34 114.58 124.38 2cra h GLU 48 Ca -0.47 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 57.85 2cra h GLU 48 Cb 1.18 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2cra h GLU 48 CO 0.67 0.41 -0.00 -0.09 -1.00 0.00 0.00 179.01 179.00 2cra h ARG 49 N 0.64 -0.01 -0.06 2.33 9.65 -1.97 -2.66 114.38 122.31 2cra h ARG 49 Ca 0.50 0.00 0.04 0.00 -1.10 0.00 0.00 59.98 59.42 2cra h ARG 49 Cb 0.92 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 29.44 2cra h ARG 49 CO -0.26 0.45 -0.35 1.96 2.80 0.00 0.00 179.97 184.58 2cra h GLN 50 N -0.48 -0.45 -0.94 0.20 4.20 -1.71 -0.48 115.11 115.45 2cra h GLN 50 Ca -0.00 0.03 0.14 0.00 0.06 0.00 0.00 58.65 58.88 2cra h GLN 50 Cb 0.47 0.10 -0.09 0.00 0.30 0.00 0.00 27.48 28.27 2cra h GLN 50 CO 0.00 -0.30 0.55 0.82 -0.67 0.00 0.00 178.83 179.23 2cra h ILE 51 N -0.47 0.82 -0.10 2.54 2.04 -1.36 -1.76 117.51 119.23 2cra h ILE 51 Ca 0.07 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 2cra h ILE 51 Cb 0.58 -0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 2cra h ILE 51 CO -0.32 0.15 0.06 0.74 0.00 0.00 0.00 178.15 178.78 2cra h THR 52 N 0.82 1.07 -0.49 -0.27 2.02 -0.89 -1.95 112.91 113.22 2cra h THR 52 Ca 0.49 -0.19 0.10 0.00 0.77 0.00 0.00 66.41 67.58 2cra h THR 52 Cb 0.60 1.02 -0.08 0.00 -1.74 0.00 0.00 68.15 67.95 2cra h THR 52 CO -0.31 0.06 -0.01 0.40 0.37 0.00 0.00 175.52 176.03 2cra h ILE 53 N 0.08 0.61 -0.31 3.11 2.04 -0.26 0.17 117.51 122.95 2cra h ILE 53 Ca 0.03 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 65.87 2cra h ILE 53 Cb 0.05 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 2cra h ILE 53 CO -0.01 0.02 0.20 -0.25 0.00 0.00 0.00 178.15 178.11 2cra h TRP 54 N 0.10 0.37 -0.13 1.37 7.01 -1.27 0.14 115.95 123.54 2cra h TRP 54 Ca 0.25 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.23 2cra h TRP 54 Cb 0.37 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.30 2cra h TRP 54 CO -0.32 0.23 -0.05 0.74 -2.79 0.00 0.00 178.44 176.25 2cra h PHE 55 N 0.40 0.20 0.09 2.65 -1.00 -0.52 -1.79 116.94 116.98 2cra h PHE 55 Ca 0.12 -0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.88 2cra h PHE 55 Cb -0.03 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 39.47 2cra h PHE 55 CO -0.06 0.25 -0.04 1.96 -1.61 0.00 0.00 178.31 178.81 2cra h GLN 56 N 0.19 -0.12 -0.52 1.51 1.08 0.02 -3.16 115.11 114.12 2cra h GLN 56 Ca 0.04 0.01 0.14 0.00 -1.45 0.00 0.00 58.65 57.39 2cra h GLN 56 Cb 0.22 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.65 2cra h GLN 56 CO 0.01 0.41 0.37 -0.91 -0.95 0.00 0.00 178.83 177.76 2cra h ASN 57 N -0.87 0.06 -0.50 1.46 2.35 -0.64 0.26 115.58 117.70 2cra h ASN 57 Ca -0.01 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.68 2cra h ASN 57 Cb 0.58 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.92 2cra h ASN 57 CO 0.02 0.03 0.06 -0.09 -1.65 0.00 0.00 177.43 175.81 2cra h ARG 58 N 0.06 0.84 0.00 0.81 9.65 -1.36 0.22 114.38 124.60 2cra h ARG 58 Ca 0.25 -0.23 -0.18 0.00 -1.10 0.00 0.00 59.98 58.71 2cra h ARG 58 Cb 0.91 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 29.37 2cra h ARG 58 CO -0.02 0.84 -0.93 0.00 2.80 0.00 0.00 179.97 182.67 2cra h ARG 59 N 0.71 0.00 0.00 0.20 2.47 -1.08 -3.25 114.38 113.43 2cra h ARG 59 Ca 0.15 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.82 2cra h ARG 59 Cb 0.42 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.74 2cra h ARG 59 CO 0.01 0.76 -0.22 0.28 0.56 0.00 0.00 179.97 181.37 2cra h VAL 60 N 0.00 0.37 -0.29 2.04 2.07 -0.43 -3.31 116.25 116.71 2cra h VAL 60 Ca -0.04 -1.51 0.07 0.00 0.82 0.00 0.00 66.70 66.03 2cra h VAL 60 Cb 1.66 2.17 -0.07 0.00 -1.52 0.00 0.00 31.29 33.53 2cra h VAL 60 CO 0.10 0.21 -0.19 0.50 0.02 0.00 0.00 177.57 178.21 2cra h LYS 61 N 0.00 -0.16 0.00 1.57 1.63 -0.59 0.27 116.57 119.29 2cra h LYS 61 Ca -0.00 0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.74 2cra h LYS 61 Cb 1.16 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.81 2cra h LYS 61 CO 0.03 -0.11 -0.31 1.05 -3.45 0.00 0.00 179.45 176.66 2cra h GLU 62 N -0.17 0.00 -0.27 1.90 4.11 -1.75 -3.04 114.58 115.36 2cra h GLU 62 Ca 0.15 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.43 2cra h GLU 62 Cb 0.40 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 2cra h GLU 62 CO -0.39 0.31 -0.42 0.87 0.07 0.00 0.00 179.01 179.45 2cra h LYS 63 N 0.00 0.76 0.00 1.06 1.79 -1.11 -3.45 116.57 115.62 2cra h LYS 63 Ca -0.00 -0.46 -0.38 0.00 -2.18 0.00 0.00 60.65 57.63 2cra h LYS 63 Cb 0.75 0.04 0.14 0.00 -1.58 0.00 0.00 32.23 31.59 2cra h LYS 63 CO 0.04 1.08 0.33 1.63 -1.08 0.00 0.00 179.45 181.46 2cra n LYS 64 N -4.15 -0.99 -2.17 3.15 5.02 0.76 -5.11 118.16 114.67 2cra n LYS 64 Ca -0.05 -1.86 -0.10 0.00 -2.02 0.00 0.00 58.31 54.28 2cra n LYS 64 Cb 0.55 -1.11 0.02 0.00 -0.02 0.00 0.00 35.03 34.47 2cra n LYS 64 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2cra n SER 65 N -3.64 1.29 -3.10 4.39 3.41 -1.26 -4.95 113.62 109.76 2cra n SER 65 Ca 0.14 -1.79 -0.13 0.00 -0.26 0.00 0.00 58.87 56.83 2cra n SER 65 Cb 0.50 -0.14 -0.02 0.00 -0.26 0.00 0.00 64.21 64.29 2cra n SER 65 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2cra s GLY 66 N -3.10 1.22 -1.02 5.00 0.00 -1.26 -5.06 107.32 103.10 2cra s GLY 66 Ca 0.24 -1.33 -0.24 0.00 0.00 0.00 0.00 44.72 43.40 2cra s GLY 66 CO 0.15 -0.81 1.94 2.56 0.00 0.00 0.00 173.10 176.94 2cra s PRO 67 N -2.77 2.53 -1.25 2.90 0.04 -1.26 -3.65 135.00 131.53 2cra s PRO 67 Ca 0.26 -0.65 -0.03 0.00 0.04 0.00 0.00 61.00 60.62 2cra s PRO 67 Cb -0.02 -5.14 0.00 0.00 0.04 0.00 0.00 34.50 29.39 2cra s PRO 67 CO 0.18 -3.63 1.06 0.45 0.04 0.00 0.00 177.00 175.10 2cra n SER 68 N 14.16 -3.38 -4.05 6.66 2.88 -1.26 -5.00 113.62 123.63 2cra n SER 68 Ca 0.42 -0.60 -0.30 0.00 -1.33 0.00 0.00 58.87 57.06 2cra n SER 68 Cb 0.47 -5.10 -0.16 0.00 -0.75 0.00 0.00 64.21 58.66 2cra n SER 68 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2cra s SER 69 N -4.04 2.69 0.00 -3.46 0.01 -1.24 -5.30 113.70 102.36 2cra s SER 69 Ca 0.18 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 56.95 2cra s SER 69 Cb -0.08 -1.20 0.00 0.00 0.21 0.00 0.00 66.02 64.95 2cra s SER 69 CO 0.73 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.97