#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 0.18 0.46 1.61 1.04 -1.26 -5.16 113.70 110.57 2cra s SER 2 Ca 0.00 0.17 0.07 0.00 0.48 0.00 0.00 55.95 56.67 2cra s SER 2 Cb 0.00 0.05 -0.00 0.00 0.10 0.00 0.00 66.02 66.17 2cra s SER 2 CO 0.00 -0.16 0.37 -0.44 0.98 0.00 0.00 173.24 173.99 2cra s SER 3 N 1.34 4.83 -0.05 7.02 0.01 -1.26 -5.15 113.70 120.44 2cra s SER 3 Ca -0.06 -0.96 -0.31 0.00 1.31 0.00 0.00 55.95 55.93 2cra s SER 3 Cb -0.12 -0.21 0.11 0.00 0.21 0.00 0.00 66.02 66.01 2cra s SER 3 CO -0.04 -0.81 1.07 -0.83 0.41 0.00 0.00 173.24 173.03 2cra s GLY 4 N -4.17 -0.37 -0.11 3.44 0.00 -1.26 -5.18 107.32 99.68 2cra s GLY 4 Ca 0.43 1.06 -0.23 0.00 0.00 0.00 0.00 44.72 45.98 2cra s GLY 4 CO 0.25 0.33 0.56 -0.56 0.00 0.00 0.00 173.10 173.69 2cra s SER 5 N -2.50 -0.54 0.27 1.64 0.01 -1.26 -5.18 113.70 106.14 2cra s SER 5 Ca 0.09 0.75 0.02 0.00 1.31 0.00 0.00 55.95 58.12 2cra s SER 5 Cb -0.00 0.74 -0.01 0.00 0.21 0.00 0.00 66.02 66.96 2cra s SER 5 CO -0.05 -0.42 0.08 -1.54 0.41 0.00 0.00 173.24 171.71 2cra n SER 6 N 1.70 1.46 0.00 2.44 3.41 -1.26 -4.94 113.62 116.42 2cra n SER 6 Ca -0.18 -2.38 0.00 0.00 -0.26 0.00 0.00 58.87 56.05 2cra n SER 6 Cb 0.56 0.57 0.00 0.00 -0.26 0.00 0.00 64.21 65.09 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 0.50 1.43 3.82 5.00 0.00 -1.26 -5.12 105.19 109.57 2cra n GLY 7 Ca -0.05 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 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 2.10 0.17 1.61 0.52 -1.26 -5.08 118.95 117.01 2cra s ARG 8 Ca 0.00 0.53 0.10 0.00 -0.52 0.00 0.00 55.73 55.83 2cra s ARG 8 Cb 0.00 -1.93 -0.04 0.00 0.52 0.00 0.00 34.95 33.50 2cra s ARG 8 CO 0.00 -1.58 -0.15 -1.59 0.02 0.00 0.00 175.30 171.99 2cra s LYS 9 N -5.24 1.85 0.27 3.54 0.00 -1.26 -5.15 119.74 113.76 2cra s LYS 9 Ca 0.61 -1.32 0.03 0.00 0.00 0.00 0.00 55.97 55.29 2cra s LYS 9 Cb -0.14 -2.07 -0.04 0.00 0.00 0.00 0.00 37.83 35.59 2cra s LYS 9 CO 0.53 0.44 0.17 -1.59 0.00 0.00 0.00 175.35 174.90 2cra s LYS 10 N -2.63 1.48 0.00 1.78 -2.85 -1.26 -5.18 119.74 111.07 2cra s LYS 10 Ca 0.22 -1.82 0.00 0.00 -1.00 0.00 0.00 55.97 53.37 2cra s LYS 10 Cb -0.09 0.14 0.00 0.00 -2.06 0.00 0.00 37.83 35.82 2cra s LYS 10 CO 0.13 -0.47 0.00 0.54 0.10 0.00 0.00 175.35 175.65 2cra n ARG 11 N -0.47 0.67 -1.62 1.78 1.74 -1.26 -5.01 116.66 112.49 2cra n ARG 11 Ca 0.03 0.00 -0.46 0.00 -0.77 0.00 0.00 57.85 56.64 2cra n ARG 11 Cb 0.65 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 32.06 2cra n ARG 11 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2cra n ILE 12 N -1.33 1.03 -0.99 0.55 2.08 -1.26 -4.98 119.36 114.46 2cra n ILE 12 Ca 0.00 -0.26 0.00 0.00 0.56 0.00 0.00 62.75 63.05 2cra n ILE 12 Cb 0.00 -1.15 0.00 0.00 -0.75 0.00 0.00 39.64 37.74 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 1.77 -0.03 -2.03 0.38 -0.04 -1.26 -4.93 135.00 128.86 2cra n PRO 13 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 2cra n PRO 13 Cb 0.28 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.74 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 -2.01 -3.91 -1.51 0.54 4.01 -1.26 -4.98 117.16 108.04 2cra n TYR 14 Ca 0.00 2.33 -0.30 0.00 -0.16 0.00 0.00 57.90 59.77 2cra n TYR 14 Cb 0.00 -3.47 0.09 0.00 -0.31 0.00 0.00 39.34 35.65 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 -0.47 4.53 0.43 7.72 0.01 -1.26 -4.67 113.70 119.99 2cra s SER 15 Ca 0.00 1.39 0.19 0.00 1.31 0.00 0.00 55.95 58.85 2cra s SER 15 Cb 0.00 -2.14 1.13 0.00 0.21 0.00 0.00 66.02 65.22 2cra s SER 15 CO 0.00 -1.96 1.85 0.11 0.41 0.00 0.00 173.24 173.66 2cra h LYS 16 N -1.08 0.35 -0.15 12.44 1.57 -1.98 0.22 116.57 127.95 2cra h LYS 16 Ca -0.47 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.17 2cra h LYS 16 Cb 1.26 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 2cra h LYS 16 CO 0.58 0.23 -0.43 0.78 -0.57 0.00 0.00 179.45 180.04 2cra h GLY 17 N 0.36 0.38 0.52 3.86 0.00 -1.99 -0.71 103.07 105.48 2cra h GLY 17 Ca 0.47 -0.38 -0.14 0.00 0.00 0.00 0.00 47.33 47.29 2cra h GLY 17 CO -0.17 0.34 -0.60 1.46 0.00 0.00 0.00 176.54 177.57 2cra h GLN 18 N 0.29 0.23 0.00 4.80 4.20 -1.02 -3.30 115.11 120.31 2cra h GLN 18 Ca 0.02 -0.38 -0.04 0.00 0.06 0.00 0.00 58.65 58.31 2cra h GLN 18 Cb 0.88 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.79 2cra h GLN 18 CO 0.07 1.18 -0.20 -0.07 -0.67 0.00 0.00 178.83 179.14 2cra h LEU 19 N -0.52 0.00 -1.70 1.46 3.38 -0.90 -2.61 115.31 114.41 2cra h LEU 19 Ca -0.10 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.91 2cra h LEU 19 Cb 1.47 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.20 2cra h LEU 19 CO 0.11 0.20 0.27 -0.09 0.09 0.00 0.00 178.44 179.03 2cra h ARG 20 N 0.00 0.37 0.14 1.13 2.43 -1.20 0.20 114.38 117.46 2cra h ARG 20 Ca -0.00 -0.02 -0.34 0.00 -0.81 0.00 0.00 59.98 58.81 2cra h ARG 20 Cb 0.51 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2cra h ARG 20 CO 0.03 0.24 -1.74 0.93 -1.51 0.00 0.00 179.97 177.92 2cra h GLU 21 N 0.38 0.30 -0.07 0.20 4.39 -1.60 -3.05 114.58 115.12 2cra h GLU 21 Ca 0.17 -0.51 -0.01 0.00 0.34 0.00 0.00 59.36 59.35 2cra h GLU 21 Cb 0.21 0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2cra h GLU 21 CO -0.04 1.18 0.02 -0.07 -1.16 0.00 0.00 179.01 178.94 2cra h LEU 22 N 0.08 0.11 -0.31 1.33 3.38 -1.24 -1.20 115.31 117.47 2cra h LEU 22 Ca -0.33 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.38 2cra h LEU 22 Cb 2.06 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.77 2cra h LEU 22 CO 0.15 0.32 0.11 -0.33 0.09 0.00 0.00 178.44 178.78 2cra h GLU 23 N -0.11 0.47 0.03 1.13 5.08 -0.79 -1.33 114.58 119.07 2cra h GLU 23 Ca 0.02 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2cra h GLU 23 Cb 0.26 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2cra h GLU 23 CO 0.00 0.50 -0.14 0.00 -1.00 0.00 0.00 179.01 178.38 2cra h ARG 24 N 0.35 -0.23 -0.87 2.33 3.08 -1.50 -2.08 114.38 115.45 2cra h ARG 24 Ca 0.10 0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.19 2cra h ARG 24 Cb 0.22 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.27 2cra h ARG 24 CO -0.01 -0.16 0.56 0.93 -1.07 0.00 0.00 179.97 180.23 2cra h GLU 25 N -0.24 1.08 -0.28 0.04 3.07 -1.16 -2.65 114.58 114.44 2cra h GLU 25 Ca 0.04 -0.06 0.06 0.00 -0.50 0.00 0.00 59.36 58.89 2cra h GLU 25 Cb 0.29 -0.24 -0.05 0.00 -0.84 0.00 0.00 28.75 27.90 2cra h GLU 25 CO -0.11 0.71 -0.08 -0.92 -1.40 0.00 0.00 179.01 177.21 2cra h TYR 26 N 1.11 -0.17 -0.98 4.33 5.03 -0.76 -0.90 116.97 124.63 2cra h TYR 26 Ca 0.34 0.03 0.20 0.00 2.58 0.00 0.00 58.73 61.87 2cra h TYR 26 Cb -0.03 0.12 -0.09 0.00 1.55 0.00 0.00 36.73 38.27 2cra h TYR 26 CO -0.02 -0.13 0.61 0.00 -1.32 0.00 0.00 178.16 177.31 2cra h ALA 27 N 1.26 1.87 -0.21 1.82 0.00 -1.02 0.53 119.26 123.51 2cra h ALA 27 Ca 0.14 0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.93 2cra h ALA 27 Cb 0.22 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2cra h ALA 27 CO -0.29 -0.21 -0.56 0.00 0.00 0.00 0.00 179.25 178.18 2cra h ALA 28 N 1.63 0.62 -1.14 0.00 0.00 -1.13 -3.46 119.26 115.79 2cra h ALA 28 Ca 0.55 -0.52 0.16 0.00 0.00 0.00 0.00 54.91 55.10 2cra h ALA 28 Cb 1.01 -0.08 -0.27 0.00 0.00 0.00 0.00 17.79 18.45 2cra h ALA 28 CO -0.31 0.69 0.41 0.54 0.00 0.00 0.00 179.25 180.58 2cra s ASN 29 N -6.94 -0.41 0.52 0.00 4.22 0.17 -5.02 114.94 107.49 2cra s ASN 29 Ca -0.08 0.61 0.27 0.00 -2.14 0.00 0.00 52.86 51.52 2cra s ASN 29 Cb 0.11 1.31 1.46 0.00 1.28 0.00 0.00 41.25 45.40 2cra s ASN 29 CO 0.86 -0.09 2.07 0.11 -2.04 0.00 0.00 177.10 178.01 2cra h LYS 30 N 6.47 0.00 -3.71 3.55 1.57 -1.81 -3.36 116.57 119.29 2cra h LYS 30 Ca -0.22 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 57.87 2cra h LYS 30 Cb 1.15 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 33.11 2cra h LYS 30 CO 0.15 0.11 -0.41 -0.06 -0.57 0.00 0.00 179.45 178.67 2cra s PHE 31 N -4.20 3.42 1.26 -1.35 0.40 -1.26 -4.96 117.98 111.29 2cra s PHE 31 Ca -0.03 -2.71 -0.21 0.00 -0.60 0.00 0.00 56.93 53.39 2cra s PHE 31 Cb 0.13 -3.17 0.31 0.00 0.51 0.00 0.00 43.02 40.80 2cra s PHE 31 CO 0.58 -0.85 1.09 0.96 0.70 0.00 0.00 175.22 177.70 2cra s ILE 32 N 0.09 1.49 0.26 0.64 -4.36 -1.26 -5.07 121.20 113.00 2cra s ILE 32 Ca 0.16 0.00 0.11 0.00 -0.26 0.00 0.00 60.65 60.65 2cra s ILE 32 Cb -0.21 -2.43 -0.05 0.00 1.25 0.00 0.00 42.46 41.02 2cra s ILE 32 CO -0.03 0.00 -0.10 0.28 0.24 0.00 0.00 174.94 175.33 2cra s THR 33 N -2.92 3.00 0.37 8.37 -1.32 -1.26 -4.99 115.64 116.89 2cra s THR 33 Ca 0.71 -2.10 0.12 0.00 -1.21 0.00 0.00 61.69 59.22 2cra s THR 33 Cb -0.09 -2.58 0.35 0.00 -1.51 0.00 0.00 72.50 68.67 2cra s THR 33 CO 0.56 -0.36 1.82 0.11 -2.21 0.00 0.00 174.62 174.54 2cra h LYS 34 N 2.16 0.56 -0.19 7.08 1.57 -1.99 0.29 116.57 126.05 2cra h LYS 34 Ca -0.43 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.22 2cra h LYS 34 Cb 1.25 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 2cra h LYS 34 CO 0.59 0.37 -0.31 -0.44 -0.57 0.00 0.00 179.45 179.09 2cra h ASP 35 N 0.57 0.38 0.07 0.86 5.19 -2.00 -2.66 116.42 118.83 2cra h ASP 35 Ca 0.52 -0.14 -0.00 0.00 -0.62 0.00 0.00 57.03 56.79 2cra h ASP 35 Cb 1.06 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.46 2cra h ASP 35 CO -0.27 0.68 -0.03 0.50 -3.12 0.00 0.00 179.24 177.00 2cra h LYS 36 N 0.33 -0.09 -0.93 3.56 1.63 -0.90 -3.23 116.57 116.94 2cra h LYS 36 Ca 0.04 0.01 0.20 0.00 -0.85 0.00 0.00 60.65 60.04 2cra h LYS 36 Cb 0.71 0.02 -0.08 0.00 -0.60 0.00 0.00 32.23 32.29 2cra h LYS 36 CO 0.05 0.46 0.60 -0.09 -3.45 0.00 0.00 179.45 177.03 2cra h ARG 37 N -0.75 0.50 -0.82 1.90 2.43 -1.08 0.73 114.38 117.28 2cra h ARG 37 Ca -0.01 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.16 2cra h ARG 37 Cb 0.60 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.99 2cra h ARG 37 CO 0.02 0.33 0.53 0.00 -1.51 0.00 0.00 179.97 179.34 2cra h ARG 38 N 0.52 1.02 0.03 0.20 3.08 -1.49 -0.85 114.38 116.88 2cra h ARG 38 Ca 0.49 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.48 2cra h ARG 38 Cb 1.07 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.89 2cra h ARG 38 CO -0.23 0.67 -0.02 0.87 -1.07 0.00 0.00 179.97 180.20 2cra h LYS 39 N 1.05 -0.04 -0.85 0.04 1.79 -0.94 -3.22 116.57 114.41 2cra h LYS 39 Ca 0.32 0.00 0.21 0.00 -2.18 0.00 0.00 60.65 59.00 2cra h LYS 39 Cb -0.03 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 30.58 2cra h LYS 39 CO -0.10 0.59 0.58 0.82 -1.08 0.00 0.00 179.45 180.25 2cra h ILE 40 N -0.73 0.66 -0.29 1.86 2.04 -1.06 0.34 117.51 120.33 2cra h ILE 40 Ca -0.00 -0.09 -0.07 0.00 1.00 0.00 0.00 64.86 65.70 2cra h ILE 40 Cb 0.65 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 2cra h ILE 40 CO 0.01 0.05 -0.10 -1.28 0.00 0.00 0.00 178.15 176.82 2cra h SER 41 N 0.25 0.46 0.75 1.72 0.87 -1.17 0.68 113.55 117.12 2cra h SER 41 Ca 0.43 -0.11 -0.18 0.00 -1.23 0.00 0.00 61.79 60.69 2cra h SER 41 Cb 1.27 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 63.07 2cra h SER 41 CO -0.11 0.60 -1.36 0.00 -0.53 0.00 0.00 176.83 175.43 2cra h ALA 42 N 1.45 0.66 0.00 6.23 0.00 -0.55 0.23 119.26 127.28 2cra h ALA 42 Ca 0.09 -0.90 -0.17 0.00 0.00 0.00 0.00 54.91 53.93 2cra h ALA 42 Cb 0.45 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2cra h ALA 42 CO 0.02 0.99 -0.82 0.00 0.00 0.00 0.00 179.25 179.45 2cra h ALA 43 N 1.36 0.56 -0.04 0.00 0.00 -0.26 -3.29 119.26 117.60 2cra h ALA 43 Ca -0.16 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.01 2cra h ALA 43 Cb 1.63 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.29 2cra h ALA 43 CO 0.05 1.02 0.00 0.25 0.00 0.00 0.00 179.25 180.57 2cra n THR 44 N -3.43 1.14 -2.47 0.00 -2.24 0.21 -4.87 114.28 102.62 2cra n THR 44 Ca 0.00 -1.18 -0.13 0.00 -2.27 0.00 0.00 64.05 60.47 2cra n THR 44 Cb 0.82 0.39 -0.01 0.00 -2.10 0.00 0.00 70.33 69.43 2cra n THR 44 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2cra n SER 45 N -0.53 -3.98 -5.00 3.42 2.88 -0.28 -4.87 113.62 105.26 2cra n SER 45 Ca 0.04 0.17 -0.22 0.00 -1.33 0.00 0.00 58.87 57.53 2cra n SER 45 Cb 0.33 -3.37 0.05 0.00 -0.75 0.00 0.00 64.21 60.46 2cra n SER 45 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2cra s LEU 46 N -5.66 2.94 0.18 2.46 1.43 0.64 -4.97 118.68 115.70 2cra s LEU 46 Ca 0.01 -1.00 0.06 0.00 -1.03 0.00 0.00 54.13 52.18 2cra s LEU 46 Cb -0.01 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.75 2cra s LEU 46 CO 0.02 -1.33 0.08 -0.44 0.23 0.00 0.00 176.35 174.90 2cra s SER 47 N -4.59 5.16 0.39 2.29 0.01 -1.26 -4.39 113.70 111.31 2cra s SER 47 Ca 0.54 -0.28 0.13 0.00 1.31 0.00 0.00 55.95 57.66 2cra s SER 47 Cb -0.04 -1.23 0.95 0.00 0.21 0.00 0.00 66.02 65.91 2cra s SER 47 CO 0.34 0.06 1.86 -0.33 0.41 0.00 0.00 173.24 175.59 2cra h GLU 48 N 2.42 0.53 -0.00 12.44 5.08 -1.96 -0.55 114.58 132.54 2cra h GLU 48 Ca -0.47 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2cra h GLU 48 Cb 1.21 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2cra h GLU 48 CO 0.61 0.35 -0.00 -0.09 -1.00 0.00 0.00 179.01 178.87 2cra h ARG 49 N 0.54 0.00 -0.26 2.33 9.65 -1.97 -3.06 114.38 121.61 2cra h ARG 49 Ca 0.46 -0.00 0.06 0.00 -1.10 0.00 0.00 59.98 59.40 2cra h ARG 49 Cb 0.95 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 29.46 2cra h ARG 49 CO -0.20 0.75 -0.20 1.96 2.80 0.00 0.00 179.97 185.08 2cra h GLN 50 N -0.75 -0.18 -0.71 0.20 4.20 -1.77 -1.07 115.11 115.04 2cra h GLN 50 Ca -0.00 0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.83 2cra h GLN 50 Cb 0.75 0.04 -0.08 0.00 0.30 0.00 0.00 27.48 28.49 2cra h GLN 50 CO 0.00 -0.12 0.31 0.82 -0.67 0.00 0.00 178.83 179.17 2cra h ILE 51 N -0.19 0.76 -0.28 2.54 2.04 -1.24 -1.80 117.51 119.35 2cra h ILE 51 Ca 0.14 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.84 2cra h ILE 51 Cb 0.40 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 2cra h ILE 51 CO -0.37 0.09 0.16 0.74 0.00 0.00 0.00 178.15 178.77 2cra h THR 52 N 0.51 1.04 -0.54 -0.27 2.02 -1.17 -1.88 112.91 112.62 2cra h THR 52 Ca 0.36 -0.12 0.10 0.00 0.77 0.00 0.00 66.41 67.53 2cra h THR 52 Cb 0.46 0.67 -0.08 0.00 -1.74 0.00 0.00 68.15 67.46 2cra h THR 52 CO -0.32 0.06 0.05 0.40 0.37 0.00 0.00 175.52 176.07 2cra h ILE 53 N 0.34 0.61 -0.27 3.11 2.04 -0.39 0.94 117.51 123.89 2cra h ILE 53 Ca 0.11 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.91 2cra h ILE 53 Cb -0.01 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 2cra h ILE 53 CO -0.05 0.03 0.15 -0.25 0.00 0.00 0.00 178.15 178.04 2cra h TRP 54 N 0.17 0.37 -0.28 1.37 7.01 -1.15 -0.16 115.95 123.28 2cra h TRP 54 Ca 0.28 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.27 2cra h TRP 54 Cb 0.42 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.34 2cra h TRP 54 CO -0.29 0.30 0.17 0.74 -2.79 0.00 0.00 178.44 176.57 2cra h PHE 55 N 0.33 0.36 0.14 2.65 -1.00 -0.49 -1.65 116.94 117.27 2cra h PHE 55 Ca 0.10 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.88 2cra h PHE 55 Cb 0.05 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 39.49 2cra h PHE 55 CO -0.04 0.24 -0.07 1.96 -1.61 0.00 0.00 178.31 178.80 2cra h GLN 56 N 0.38 -0.18 -0.26 1.51 1.08 -0.31 -3.13 115.11 114.21 2cra h GLN 56 Ca 0.10 0.01 0.07 0.00 -1.45 0.00 0.00 58.65 57.39 2cra h GLN 56 Cb -0.02 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 2cra h GLN 56 CO -0.02 0.28 0.28 -0.91 -0.95 0.00 0.00 178.83 177.51 2cra h ASN 57 N -0.86 0.00 -0.00 1.46 2.35 -0.86 0.17 115.58 117.83 2cra h ASN 57 Ca -0.02 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.58 2cra h ASN 57 Cb 0.54 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 2cra h ASN 57 CO 0.03 0.00 -0.51 -0.09 -1.65 0.00 0.00 177.43 175.21 2cra h ARG 58 N 0.00 0.57 0.00 0.81 1.12 -1.30 -2.63 114.38 112.96 2cra h ARG 58 Ca 0.12 -0.34 -0.11 0.00 -1.11 0.00 0.00 59.98 58.54 2cra h ARG 58 Cb 0.68 0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 30.65 2cra h ARG 58 CO -0.00 0.94 -0.62 0.00 -3.11 0.00 0.00 179.97 177.18 2cra h ARG 59 N 0.45 0.00 -0.85 0.20 3.08 -0.83 -3.34 114.38 113.09 2cra h ARG 59 Ca 0.02 0.00 0.24 0.00 0.07 0.00 0.00 59.98 60.31 2cra h ARG 59 Cb 1.04 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.06 2cra h ARG 59 CO 0.10 0.92 0.61 0.28 -1.07 0.00 0.00 179.97 180.81 2cra h VAL 60 N -1.00 0.59 -0.78 2.04 2.07 -0.90 0.13 116.25 118.40 2cra h VAL 60 Ca -0.17 -0.01 0.19 0.00 0.82 0.00 0.00 66.70 67.53 2cra h VAL 60 Cb 1.09 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 2cra h VAL 60 CO -0.10 0.01 0.53 0.50 0.02 0.00 0.00 177.57 178.53 2cra h LYS 61 N 0.04 0.21 -0.48 1.57 3.64 -1.59 0.25 116.57 120.21 2cra h LYS 61 Ca 0.41 -0.01 -0.20 0.00 -1.27 0.00 0.00 60.65 59.58 2cra h LYS 61 Cb 1.57 -0.05 -0.12 0.00 -0.41 0.00 0.00 32.23 33.23 2cra h LYS 61 CO -0.02 0.14 0.10 -0.85 -2.27 0.00 0.00 179.45 176.55 2cra n GLU 62 N -4.42 2.42 0.00 1.90 0.28 0.46 -4.48 120.64 116.82 2cra n GLU 62 Ca 0.16 -3.07 0.00 0.00 -0.16 0.00 0.00 57.16 54.09 2cra n GLU 62 Cb 0.69 -1.94 0.00 0.00 1.43 0.00 0.00 31.44 31.63 2cra n GLU 62 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2cra n LYS 63 N -0.85 0.20 -1.64 3.44 4.76 0.79 -4.77 118.16 120.09 2cra n LYS 63 Ca 0.36 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.37 2cra n LYS 63 Cb 1.15 -0.94 -0.03 0.00 -1.84 0.00 0.00 35.03 33.37 2cra n LYS 63 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2cra n LYS 64 N -2.35 2.51 -3.49 1.97 4.76 -0.68 -1.65 118.16 119.22 2cra n LYS 64 Ca 0.00 0.86 -0.26 0.00 -2.87 0.00 0.00 58.31 56.04 2cra n LYS 64 Cb 0.44 -3.05 0.03 0.00 -1.84 0.00 0.00 35.03 30.61 2cra n LYS 64 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2cra n SER 65 N 8.85 -5.03 0.00 4.39 2.88 -1.26 -4.93 113.62 118.52 2cra n SER 65 Ca 0.24 -0.51 0.00 0.00 -1.33 0.00 0.00 58.87 57.26 2cra n SER 65 Cb 0.41 -4.05 0.00 0.00 -0.75 0.00 0.00 64.21 59.82 2cra n SER 65 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cra n GLY 66 N -1.54 -1.00 3.73 0.46 0.00 -0.66 -4.81 105.19 101.38 2cra n GLY 66 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.36 4.38 -0.12 1.61 0.04 -1.26 -5.02 135.00 133.27 2cra s PRO 67 Ca 0.00 2.04 -0.13 0.00 0.04 0.00 0.00 61.00 62.95 2cra s PRO 67 Cb 0.00 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 31.28 2cra s PRO 67 CO 0.00 -0.30 0.31 -1.12 0.04 0.00 0.00 177.00 175.93 2cra s SER 68 N 0.56 6.53 0.10 6.66 0.01 -1.26 -5.09 113.70 121.21 2cra s SER 68 Ca 0.59 0.62 0.03 0.00 1.31 0.00 0.00 55.95 58.50 2cra s SER 68 Cb -0.36 -2.19 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 2cra s SER 68 CO 0.36 0.19 0.13 -0.55 0.41 0.00 0.00 173.24 173.78 2cra s SER 69 N -0.09 5.73 0.00 2.44 0.15 -1.26 -5.28 113.70 115.39 2cra s SER 69 Ca 0.18 0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.86 2cra s SER 69 Cb -0.14 -1.59 0.00 0.00 -1.71 0.00 0.00 66.02 62.58 2cra s SER 69 CO 0.06 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.25