#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cra n SER 2 N 0.00 -1.29 -3.89 1.61 2.88 -1.26 -4.98 113.62 106.69 2cra n SER 2 Ca 0.00 -0.86 -0.24 0.00 -1.33 0.00 0.00 58.87 56.44 2cra n SER 2 Cb 0.00 -3.80 -0.17 0.00 -0.75 0.00 0.00 64.21 59.49 2cra n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2cra s SER 3 N -4.27 1.73 0.00 -3.46 1.04 -1.26 -5.12 113.70 102.37 2cra s SER 3 Ca 0.07 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.28 2cra s SER 3 Cb -0.03 -0.67 0.00 0.00 0.10 0.00 0.00 66.02 65.42 2cra s SER 3 CO 0.83 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 175.57 2cra n GLY 4 N 4.62 5.48 2.97 7.32 0.00 -1.26 -5.16 105.19 119.16 2cra n GLY 4 Ca -0.15 -1.21 -0.24 0.00 0.00 0.00 0.00 46.02 44.42 2cra n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cra s SER 5 N 1.00 1.62 -0.61 1.61 0.15 -1.26 -5.06 113.70 111.15 2cra s SER 5 Ca 0.00 -0.25 0.05 0.00 0.70 0.00 0.00 55.95 56.45 2cra s SER 5 Cb 0.00 -0.73 0.32 0.00 -1.71 0.00 0.00 66.02 63.91 2cra s SER 5 CO 0.00 -0.02 0.95 -1.20 1.20 0.00 0.00 173.24 174.17 2cra n SER 6 N 4.06 4.48 -0.43 5.45 7.64 -1.26 -5.04 113.62 128.53 2cra n SER 6 Ca -0.22 -3.65 0.00 0.00 1.01 0.00 0.00 58.87 56.02 2cra n SER 6 Cb 0.51 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 2cra n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cra n GLY 7 N -0.04 1.76 3.97 0.23 0.00 -1.26 -5.12 105.19 104.73 2cra n GLY 7 Ca 0.31 -1.85 -0.22 0.00 0.00 0.00 0.00 46.02 44.26 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 3.40 2.34 -1.41 1.61 1.81 -1.26 -4.44 118.95 121.00 2cra s ARG 8 Ca 0.00 -0.74 -0.08 0.00 -1.72 0.00 0.00 55.73 53.20 2cra s ARG 8 Cb 0.00 -2.40 0.04 0.00 -0.45 0.00 0.00 34.95 32.14 2cra s ARG 8 CO 0.00 -0.93 0.92 1.63 -0.68 0.00 0.00 175.30 176.24 2cra n LYS 9 N -2.53 -5.76 -1.66 3.54 5.02 -1.26 -4.84 118.16 110.68 2cra n LYS 9 Ca 0.09 0.66 -0.50 0.00 -2.02 0.00 0.00 58.31 56.54 2cra n LYS 9 Cb 0.60 -5.47 -0.05 0.00 -0.02 0.00 0.00 35.03 30.09 2cra n LYS 9 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2cra n LYS 10 N -4.56 1.78 -1.22 1.97 5.02 -1.26 -4.95 118.16 114.94 2cra n LYS 10 Ca -0.10 0.65 -0.29 0.00 -2.02 0.00 0.00 58.31 56.55 2cra n LYS 10 Cb 0.59 -2.39 0.18 0.00 -0.02 0.00 0.00 35.03 33.40 2cra n LYS 10 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2cra s ARG 11 N 1.90 0.17 0.11 1.97 3.52 -1.26 -5.00 118.95 120.36 2cra s ARG 11 Ca 0.86 0.34 -0.28 0.00 -0.13 0.00 0.00 55.73 56.51 2cra s ARG 11 Cb -0.80 -1.72 -0.06 0.00 -1.56 0.00 0.00 34.95 30.81 2cra s ARG 11 CO 0.47 -2.86 0.90 0.42 -0.81 0.00 0.00 175.30 173.41 2cra s ILE 12 N -3.04 4.52 0.00 4.11 -1.09 -1.26 -5.06 121.20 119.38 2cra s ILE 12 Ca 0.66 1.93 0.00 0.00 -2.23 0.00 0.00 60.65 61.01 2cra s ILE 12 Cb -0.16 -4.26 0.00 0.00 -1.58 0.00 0.00 42.46 36.46 2cra s ILE 12 CO 0.57 0.36 0.00 -0.81 -1.23 0.00 0.00 174.94 173.82 2cra n PRO 13 N 2.62 0.01 -2.08 2.79 -0.04 -1.26 -4.93 135.00 132.11 2cra n PRO 13 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2cra n PRO 13 Cb 0.49 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.95 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 -3.95 -1.10 0.54 4.01 -1.26 -4.97 117.16 108.44 2cra n TYR 14 Ca 0.00 2.35 -0.30 0.00 -0.16 0.00 0.00 57.90 59.80 2cra n TYR 14 Cb 0.00 -3.50 0.15 0.00 -0.31 0.00 0.00 39.34 35.68 2cra n TYR 14 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2cra s SER 15 N -0.49 3.18 0.31 7.72 0.01 -1.26 -4.63 113.70 118.54 2cra s SER 15 Ca 0.00 1.55 0.07 0.00 1.31 0.00 0.00 55.95 58.88 2cra s SER 15 Cb 0.00 -2.21 0.78 0.00 0.21 0.00 0.00 66.02 64.79 2cra s SER 15 CO 0.00 -2.83 1.77 0.11 0.41 0.00 0.00 173.24 172.70 2cra h LYS 16 N -1.68 0.70 -0.27 12.44 6.56 -1.98 0.47 116.57 132.81 2cra h LYS 16 Ca -0.50 -0.04 -0.07 0.00 -1.06 0.00 0.00 60.65 58.98 2cra h LYS 16 Cb 1.29 -0.16 -0.01 0.00 -0.57 0.00 0.00 32.23 32.78 2cra h LYS 16 CO 0.53 0.47 -0.10 0.78 -2.06 0.00 0.00 179.45 179.06 2cra h GLY 17 N 0.72 0.59 0.96 3.86 0.00 -1.99 -0.99 103.07 106.22 2cra h GLY 17 Ca 0.59 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 2cra h GLY 17 CO -0.39 0.47 0.19 1.46 0.00 0.00 0.00 176.54 178.27 2cra h GLN 18 N 0.29 0.68 0.00 4.80 4.20 -1.53 -2.35 115.11 121.21 2cra h GLN 18 Ca 0.06 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 2cra h GLN 18 Cb 0.60 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 2cra h GLN 18 CO 0.03 0.61 -0.17 -0.07 -0.67 0.00 0.00 178.83 178.56 2cra h LEU 19 N 0.60 0.00 -1.46 1.46 3.38 -0.96 -2.91 115.31 115.42 2cra h LEU 19 Ca 0.15 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.18 2cra h LEU 19 Cb 0.18 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 2cra h LEU 19 CO -0.01 0.17 0.43 -0.09 0.09 0.00 0.00 178.44 179.03 2cra h ARG 20 N 0.00 0.65 0.17 1.13 2.43 -0.60 0.20 114.38 118.37 2cra h ARG 20 Ca -0.00 -0.04 -0.34 0.00 -0.81 0.00 0.00 59.98 58.79 2cra h ARG 20 Cb 0.65 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 30.06 2cra h ARG 20 CO 0.02 0.43 -1.65 0.93 -1.51 0.00 0.00 179.97 178.20 2cra h GLU 21 N 0.67 0.37 -0.01 0.20 4.39 -1.55 -3.13 114.58 115.53 2cra h GLU 21 Ca 0.28 -0.63 -0.00 0.00 0.34 0.00 0.00 59.36 59.34 2cra h GLU 21 Cb 0.24 0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2cra h GLU 21 CO -0.08 1.27 0.00 -0.07 -1.16 0.00 0.00 179.01 178.97 2cra h LEU 22 N 0.10 0.01 -0.99 1.33 3.38 -1.34 -1.89 115.31 115.92 2cra h LEU 22 Ca -0.30 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2cra h LEU 22 Cb 2.08 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.78 2cra h LEU 22 CO 0.19 0.18 0.62 -0.33 0.09 0.00 0.00 178.44 179.18 2cra h GLU 23 N -0.16 1.30 0.75 1.13 5.08 -0.78 -1.27 114.58 120.64 2cra h GLU 23 Ca 0.00 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 2cra h GLU 23 Cb 0.17 -0.28 0.01 0.00 0.50 0.00 0.00 28.75 29.14 2cra h GLU 23 CO -0.00 0.89 -0.37 0.00 -1.00 0.00 0.00 179.01 178.52 2cra h ARG 24 N 1.33 -0.99 -0.87 2.33 3.08 -1.46 -0.48 114.38 117.33 2cra h ARG 24 Ca 0.35 0.07 0.09 0.00 0.07 0.00 0.00 59.98 60.56 2cra h ARG 24 Cb -0.11 0.22 -0.06 0.00 0.08 0.00 0.00 29.97 30.11 2cra h ARG 24 CO -0.07 -0.66 0.57 0.93 -1.07 0.00 0.00 179.97 179.67 2cra h GLU 25 N -1.02 0.86 -0.09 0.04 3.07 -1.22 -2.13 114.58 114.09 2cra h GLU 25 Ca -0.10 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.70 2cra h GLU 25 Cb 0.79 -0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 28.50 2cra h GLU 25 CO 0.16 0.57 0.04 -0.92 -1.40 0.00 0.00 179.01 177.46 2cra h TYR 26 N 0.88 0.14 -0.15 4.33 3.20 -0.95 0.87 116.97 125.29 2cra h TYR 26 Ca 0.40 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.30 2cra h TYR 26 Cb 0.37 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 2cra h TYR 26 CO -0.00 0.23 0.17 0.00 -1.64 0.00 0.00 178.16 176.92 2cra h ALA 27 N 0.89 1.74 0.08 1.82 0.00 -0.44 -1.23 119.26 122.12 2cra h ALA 27 Ca 0.03 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.62 2cra h ALA 27 Cb 0.15 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2cra h ALA 27 CO -0.00 -0.25 -1.73 0.00 0.00 0.00 0.00 179.25 177.27 2cra h ALA 28 N 1.80 0.51 -2.04 0.00 0.00 -1.01 -3.47 119.26 115.05 2cra h ALA 28 Ca 0.07 -1.32 0.02 0.00 0.00 0.00 0.00 54.91 53.68 2cra h ALA 28 Cb 0.41 0.48 -0.21 0.00 0.00 0.00 0.00 17.79 18.47 2cra h ALA 28 CO -0.00 1.36 -0.02 0.54 0.00 0.00 0.00 179.25 181.13 2cra s ASN 29 N -6.67 -0.95 0.51 0.00 4.22 0.25 -5.02 114.94 107.26 2cra s ASN 29 Ca -0.11 1.49 0.22 0.00 -2.14 0.00 0.00 52.86 52.32 2cra s ASN 29 Cb 0.07 1.51 1.33 0.00 1.28 0.00 0.00 41.25 45.44 2cra s ASN 29 CO 0.82 -0.23 2.08 0.11 -2.04 0.00 0.00 177.10 177.83 2cra h LYS 30 N 7.18 0.00 -4.00 3.55 1.57 -1.82 -3.35 116.57 119.70 2cra h LYS 30 Ca -0.28 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 57.89 2cra h LYS 30 Cb 1.21 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.12 2cra h LYS 30 CO 0.16 0.12 -0.75 -0.06 -0.57 0.00 0.00 179.45 178.34 2cra s PHE 31 N -4.50 2.36 1.27 -1.35 0.40 -1.26 -4.91 117.98 109.98 2cra s PHE 31 Ca -0.04 -2.04 -0.18 0.00 -0.60 0.00 0.00 56.93 54.06 2cra s PHE 31 Cb 0.15 -1.99 0.31 0.00 0.51 0.00 0.00 43.02 42.00 2cra s PHE 31 CO 0.63 -0.87 1.01 0.96 0.70 0.00 0.00 175.22 177.65 2cra s ILE 32 N 1.39 1.58 0.25 0.64 -4.36 -1.26 -5.05 121.20 114.39 2cra s ILE 32 Ca 0.07 0.00 0.08 0.00 -0.26 0.00 0.00 60.65 60.54 2cra s ILE 32 Cb -0.18 -2.22 -0.04 0.00 1.25 0.00 0.00 42.46 41.27 2cra s ILE 32 CO -0.16 0.00 0.09 0.28 0.24 0.00 0.00 174.94 175.39 2cra s THR 33 N -2.58 3.97 0.52 8.37 -1.32 -1.26 -4.94 115.64 118.40 2cra s THR 33 Ca 0.69 -1.60 0.28 0.00 -1.21 0.00 0.00 61.69 59.84 2cra s THR 33 Cb -0.16 -3.12 0.45 0.00 -1.51 0.00 0.00 72.50 68.16 2cra s THR 33 CO 0.59 -0.33 1.91 0.11 -2.21 0.00 0.00 174.62 174.69 2cra h LYS 34 N 1.80 0.07 -0.06 7.08 6.56 -1.99 0.34 116.57 130.37 2cra h LYS 34 Ca -0.47 -0.00 -0.20 0.00 -1.06 0.00 0.00 60.65 58.92 2cra h LYS 34 Cb 1.24 -0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 32.88 2cra h LYS 34 CO 0.60 0.04 -0.79 0.22 -2.06 0.00 0.00 179.45 177.47 2cra h ASP 35 N 0.07 0.51 0.03 0.86 3.58 -2.00 -3.12 116.42 116.33 2cra h ASP 35 Ca 0.39 -0.35 -0.12 0.00 0.42 0.00 0.00 57.03 57.37 2cra h ASP 35 Cb 1.46 -0.15 0.01 0.00 1.72 0.00 0.00 39.33 42.37 2cra h ASP 35 CO -0.03 1.11 -0.50 0.50 -2.88 0.00 0.00 179.24 177.43 2cra h LYS 36 N 0.27 0.30 -0.88 0.28 1.63 -0.88 -3.06 116.57 114.22 2cra h LYS 36 Ca -0.04 -0.35 0.21 0.00 -0.85 0.00 0.00 60.65 59.62 2cra h LYS 36 Cb 1.38 0.11 -0.06 0.00 -0.60 0.00 0.00 32.23 33.06 2cra h LYS 36 CO 0.14 1.07 0.59 -0.09 -3.45 0.00 0.00 179.45 177.71 2cra h ARG 37 N -0.32 0.28 0.01 1.90 2.43 -0.73 0.28 114.38 118.23 2cra h ARG 37 Ca -0.07 -0.02 -0.20 0.00 -0.81 0.00 0.00 59.98 58.88 2cra h ARG 37 Cb 1.27 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 2cra h ARG 37 CO 0.10 0.19 -0.89 0.00 -1.51 0.00 0.00 179.97 177.85 2cra h ARG 38 N 0.29 0.21 -0.24 0.20 3.08 -1.58 -2.92 114.38 113.42 2cra h ARG 38 Ca 0.45 -0.23 -0.15 0.00 0.07 0.00 0.00 59.98 60.12 2cra h ARG 38 Cb 1.28 0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.40 2cra h ARG 38 CO -0.13 0.97 -0.43 0.87 -1.07 0.00 0.00 179.97 180.17 2cra h LYS 39 N 0.11 0.72 -0.51 0.04 1.79 -0.44 -3.07 116.57 115.21 2cra h LYS 39 Ca -0.05 -0.45 -0.05 0.00 -2.18 0.00 0.00 60.65 57.92 2cra h LYS 39 Cb 1.52 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 32.20 2cra h LYS 39 CO 0.14 1.07 0.10 0.82 -1.08 0.00 0.00 179.45 180.50 2cra h ILE 40 N 0.45 1.23 0.00 1.86 2.04 -1.07 -1.85 117.51 120.16 2cra h ILE 40 Ca 0.01 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 2cra h ILE 40 Cb 1.03 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 37.84 2cra h ILE 40 CO 0.10 0.31 -0.07 -1.28 0.00 0.00 0.00 178.15 177.21 2cra h SER 41 N 0.76 0.00 1.15 1.72 0.87 -1.48 0.26 113.55 116.83 2cra h SER 41 Ca 0.16 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.60 2cra h SER 41 Cb 0.32 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 2cra h SER 41 CO 0.00 0.07 -0.89 0.00 -0.53 0.00 0.00 176.83 175.48 2cra h ALA 42 N 1.93 0.66 0.00 6.23 0.00 -1.25 -2.47 119.26 124.36 2cra h ALA 42 Ca -0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.31 2cra h ALA 42 Cb 0.35 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2cra h ALA 42 CO 0.01 0.70 -0.77 0.00 0.00 0.00 0.00 179.25 179.18 2cra n ALA 43 N -2.29 0.64 0.57 0.00 0.00 -0.77 -4.37 120.51 114.28 2cra n ALA 43 Ca -0.03 -0.58 0.11 0.00 0.00 0.00 0.00 53.44 52.94 2cra n ALA 43 Cb 0.76 -0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.65 2cra n ALA 43 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2cra n THR 44 N -4.54 0.72 -2.12 0.00 -2.24 0.84 -4.88 114.28 102.06 2cra n THR 44 Ca -0.12 0.12 -0.18 0.00 -2.27 0.00 0.00 64.05 61.61 2cra n THR 44 Cb 0.39 -0.91 -0.03 0.00 -2.10 0.00 0.00 70.33 67.68 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 -1.86 -5.14 -5.01 3.42 7.64 -0.93 -4.91 113.62 106.83 2cra n SER 45 Ca 0.04 0.10 -0.18 0.00 1.01 0.00 0.00 58.87 59.84 2cra n SER 45 Cb 0.26 -4.21 0.02 0.00 -1.01 0.00 0.00 64.21 59.27 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 -4.78 3.57 0.28 -3.43 1.43 -1.20 -5.00 118.68 109.53 2cra s LEU 46 Ca 0.00 -0.42 -0.14 0.00 -1.03 0.00 0.00 54.13 52.54 2cra s LEU 46 Cb 0.00 -2.57 -0.08 0.00 0.03 0.00 0.00 46.19 43.56 2cra s LEU 46 CO 0.00 -0.86 0.68 -0.55 0.23 0.00 0.00 176.35 175.85 2cra s SER 47 N -4.39 6.76 0.38 2.29 0.15 -1.26 -4.41 113.70 113.22 2cra s SER 47 Ca 0.56 1.18 0.13 0.00 0.70 0.00 0.00 55.95 58.52 2cra s SER 47 Cb -0.10 -2.33 0.94 0.00 -1.71 0.00 0.00 66.02 62.82 2cra s SER 47 CO 0.34 -0.14 1.85 -0.33 1.20 0.00 0.00 173.24 176.16 2cra h GLU 48 N 2.48 0.55 -0.05 5.44 5.08 -1.97 -1.05 114.58 125.06 2cra h GLU 48 Ca -0.48 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 57.75 2cra h GLU 48 Cb 1.18 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 30.31 2cra h GLU 48 CO 0.66 0.36 -0.38 -0.09 -1.00 0.00 0.00 179.01 178.57 2cra h ARG 49 N 0.56 0.34 -0.06 2.33 9.65 -1.96 -3.06 114.38 122.18 2cra h ARG 49 Ca 0.48 -0.30 0.04 0.00 -1.10 0.00 0.00 59.98 59.09 2cra h ARG 49 Cb 0.96 0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 29.56 2cra h ARG 49 CO -0.22 0.96 -0.23 1.96 2.80 0.00 0.00 179.97 185.25 2cra h GLN 50 N -0.17 -0.32 -0.73 0.20 4.20 -1.64 -0.96 115.11 115.68 2cra h GLN 50 Ca -0.03 0.02 0.12 0.00 0.06 0.00 0.00 58.65 58.81 2cra h GLN 50 Cb 1.06 0.07 -0.08 0.00 0.30 0.00 0.00 27.48 28.83 2cra h GLN 50 CO 0.08 -0.21 0.33 0.82 -0.67 0.00 0.00 178.83 179.18 2cra h ILE 51 N -0.33 0.76 -0.03 2.54 2.04 -1.34 -1.93 117.51 119.23 2cra h ILE 51 Ca 0.08 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2cra h ILE 51 Cb 0.44 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 2cra h ILE 51 CO -0.25 0.10 -0.00 0.74 0.00 0.00 0.00 178.15 178.74 2cra h THR 52 N 0.53 0.98 -0.63 -0.27 2.02 -1.26 -1.87 112.91 112.40 2cra h THR 52 Ca 0.38 -0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.68 2cra h THR 52 Cb 0.49 0.97 -0.09 0.00 -1.74 0.00 0.00 68.15 67.79 2cra h THR 52 CO -0.33 0.00 0.16 0.40 0.37 0.00 0.00 175.52 176.12 2cra h ILE 53 N 0.01 0.64 -0.03 3.11 2.04 -0.46 -0.50 117.51 122.31 2cra h ILE 53 Ca 0.01 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2cra h ILE 53 Cb 0.01 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 36.41 2cra h ILE 53 CO -0.02 0.05 0.02 -0.25 0.00 0.00 0.00 178.15 177.95 2cra h TRP 54 N 0.29 0.04 -0.53 1.37 7.01 -1.12 -1.03 115.95 121.99 2cra h TRP 54 Ca 0.33 0.00 0.08 0.00 2.11 0.00 0.00 58.89 61.42 2cra h TRP 54 Cb 0.50 -0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 27.52 2cra h TRP 54 CO -0.23 0.05 0.35 0.74 -2.79 0.00 0.00 178.44 176.56 2cra h PHE 55 N 0.02 0.39 0.27 2.65 -1.00 -0.50 -1.49 116.94 117.28 2cra h PHE 55 Ca 0.01 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.79 2cra h PHE 55 Cb 0.02 -0.13 0.00 0.00 3.61 0.00 0.00 35.95 39.46 2cra h PHE 55 CO -0.07 0.20 -0.13 1.96 -1.61 0.00 0.00 178.31 178.66 2cra h GLN 56 N 0.38 -0.35 -0.90 1.51 1.08 -0.56 -3.18 115.11 113.09 2cra h GLN 56 Ca 0.24 0.02 0.19 0.00 -1.45 0.00 0.00 58.65 57.66 2cra h GLN 56 Cb 0.44 0.08 -0.07 0.00 -0.05 0.00 0.00 27.48 27.88 2cra h GLN 56 CO -0.06 -0.01 0.59 -0.91 -0.95 0.00 0.00 178.83 177.49 2cra h ASN 57 N -0.92 0.44 -0.89 1.46 2.35 -0.89 0.31 115.58 117.44 2cra h ASN 57 Ca -0.04 0.04 0.04 0.00 -0.55 0.00 0.00 56.30 55.80 2cra h ASN 57 Cb 0.50 -0.04 -0.06 0.00 0.05 0.00 0.00 38.32 38.78 2cra h ASN 57 CO 0.06 0.18 0.57 -0.09 -1.65 0.00 0.00 177.43 176.50 2cra h ARG 58 N 0.45 1.05 0.00 0.81 9.65 -1.29 0.25 114.38 125.30 2cra h ARG 58 Ca 0.47 -0.06 -0.11 0.00 -1.10 0.00 0.00 59.98 59.18 2cra h ARG 58 Cb 1.10 -0.24 -0.02 0.00 -1.39 0.00 0.00 29.97 29.42 2cra h ARG 58 CO -0.19 0.70 -1.00 0.00 2.80 0.00 0.00 179.97 182.28 2cra h ARG 59 N 1.09 0.00 0.00 0.20 3.08 -0.89 -3.23 114.38 114.63 2cra h ARG 59 Ca 0.36 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.39 2cra h ARG 59 Cb 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 2cra h ARG 59 CO -0.13 0.27 -0.10 0.28 -1.07 0.00 0.00 179.97 179.21 2cra h VAL 60 N 0.00 0.19 0.00 2.04 2.07 0.13 -1.70 116.25 118.98 2cra h VAL 60 Ca -0.08 -1.17 -0.15 0.00 0.82 0.00 0.00 66.70 66.12 2cra h VAL 60 Cb 1.38 2.01 -0.03 0.00 -1.52 0.00 0.00 31.29 33.13 2cra h VAL 60 CO 0.04 0.10 -1.18 0.50 0.02 0.00 0.00 177.57 177.05 2cra h LYS 61 N 0.00 0.00 0.00 1.57 3.64 -0.61 -3.34 116.57 117.83 2cra h LYS 61 Ca -0.00 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 2cra h LYS 61 Cb 1.00 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 2cra h LYS 61 CO 0.01 0.35 -1.34 -0.85 -2.27 0.00 0.00 179.45 175.35 2cra n GLU 62 N -2.97 0.62 0.23 1.90 0.28 -1.20 -3.97 120.64 115.53 2cra n GLU 62 Ca -0.06 0.13 0.08 0.00 -0.16 0.00 0.00 57.16 57.15 2cra n GLU 62 Cb 0.81 -1.78 0.57 0.00 1.43 0.00 0.00 31.44 32.47 2cra n GLU 62 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 177.13 178.54 2cra h LYS 63 N 0.00 0.00 -6.33 3.44 5.09 -1.43 -3.41 116.57 113.93 2cra h LYS 63 Ca -0.09 0.00 -0.58 0.00 0.09 0.00 0.00 60.65 60.07 2cra h LYS 63 Cb 1.30 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 33.60 2cra h LYS 63 CO 0.02 0.21 1.22 0.15 -2.09 0.00 0.00 179.45 178.96 2cra s LYS 64 N -4.22 3.42 -0.26 0.07 3.01 -1.25 -4.97 119.74 115.53 2cra s LYS 64 Ca -0.03 1.34 -0.06 0.00 -1.01 0.00 0.00 55.97 56.21 2cra s LYS 64 Cb 0.14 -4.15 -0.01 0.00 -1.01 0.00 0.00 37.83 32.80 2cra s LYS 64 CO 0.65 -1.75 0.05 0.45 0.51 0.00 0.00 175.35 175.25 2cra s SER 65 N 5.47 4.94 0.00 2.83 0.15 -1.26 -4.80 113.70 121.02 2cra s SER 65 Ca 0.75 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.94 2cra s SER 65 Cb -0.21 -1.86 0.00 0.00 -1.71 0.00 0.00 66.02 62.24 2cra s SER 65 CO 0.33 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.29 2cra n GLY 66 N 4.87 -1.87 3.77 9.45 0.00 -1.26 -5.14 105.19 115.00 2cra n GLY 66 Ca -0.16 0.63 -0.40 0.00 0.00 0.00 0.00 46.02 46.09 2cra n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cra s PRO 67 N 0.00 4.27 0.25 1.61 0.04 -1.26 -5.02 135.00 134.88 2cra s PRO 67 Ca 0.00 1.98 -0.12 0.00 0.04 0.00 0.00 61.00 62.90 2cra s PRO 67 Cb 0.00 -2.92 0.05 0.00 0.04 0.00 0.00 34.50 31.67 2cra s PRO 67 CO 0.00 -0.18 0.60 -1.13 0.04 0.00 0.00 177.00 176.34 2cra n SER 68 N 0.55 -1.56 -3.67 6.66 3.41 -1.26 -5.17 113.62 112.58 2cra n SER 68 Ca 0.02 -2.03 -0.10 0.00 -0.26 0.00 0.00 58.87 56.50 2cra n SER 68 Cb 0.44 2.59 -0.09 0.00 -0.26 0.00 0.00 64.21 66.89 2cra n SER 68 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2cra s SER 69 N -2.54 -0.70 0.00 4.04 1.04 -1.26 -5.33 113.70 108.95 2cra s SER 69 Ca 0.12 1.18 0.29 0.00 0.48 0.00 0.00 55.95 58.02 2cra s SER 69 Cb -0.03 1.08 1.22 0.00 0.10 0.00 0.00 66.02 68.38 2cra s SER 69 CO 0.08 -0.21 1.84 0.61 0.98 0.00 0.00 173.24 176.53