#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 5.49 -0.02 1.61 0.01 -1.26 -5.05 113.70 114.48 2cra s SER 2 Ca 0.00 -0.09 -0.06 0.00 1.31 0.00 0.00 55.95 57.11 2cra s SER 2 Cb 0.00 -1.44 -0.03 0.00 0.21 0.00 0.00 66.02 64.77 2cra s SER 2 CO 0.00 0.11 -0.12 -0.24 0.41 0.00 0.00 173.24 173.40 2cra n SER 3 N -0.03 1.20 0.00 2.44 2.88 -1.26 -5.06 113.62 113.80 2cra n SER 3 Ca -0.08 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 2cra n SER 3 Cb 0.53 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 2cra n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cra n GLY 4 N 2.71 1.09 3.61 0.46 0.00 -1.26 -5.01 105.19 106.79 2cra n GLY 4 Ca -0.08 -0.30 -0.45 0.00 0.00 0.00 0.00 46.02 45.19 2cra n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cra n SER 5 N 0.59 3.40 -3.90 1.61 7.64 -1.26 -4.95 113.62 116.75 2cra n SER 5 Ca 0.00 0.59 -0.19 0.00 1.01 0.00 0.00 58.87 60.29 2cra n SER 5 Cb 0.06 -1.47 -0.16 0.00 -1.01 0.00 0.00 64.21 61.63 2cra n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2cra s SER 6 N 6.19 0.79 0.00 6.43 1.04 -1.26 -5.07 113.70 121.82 2cra s SER 6 Ca 0.97 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 57.29 2cra s SER 6 Cb -0.51 -0.34 0.00 0.00 0.10 0.00 0.00 66.02 65.27 2cra s SER 6 CO 0.43 -0.04 0.00 0.61 0.98 0.00 0.00 173.24 175.22 2cra n GLY 7 N 3.83 0.24 3.04 7.32 0.00 -1.26 -5.03 105.19 113.33 2cra n GLY 7 Ca -0.24 -1.18 -0.32 0.00 0.00 0.00 0.00 46.02 44.28 2cra n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2cra s ARG 8 N -3.83 1.58 0.35 1.61 6.06 -1.26 -5.08 118.95 118.38 2cra s ARG 8 Ca 0.00 -1.88 0.06 0.00 -2.50 0.00 0.00 55.73 51.40 2cra s ARG 8 Cb 0.00 -3.28 -0.03 0.00 0.06 0.00 0.00 34.95 31.70 2cra s ARG 8 CO 0.00 -0.97 0.22 0.15 -2.50 0.00 0.00 175.30 172.20 2cra s LYS 9 N 0.92 1.78 -0.31 5.12 -0.14 -1.26 -5.09 119.74 120.77 2cra s LYS 9 Ca 0.11 -2.05 -0.28 0.00 -1.36 0.00 0.00 55.97 52.38 2cra s LYS 9 Cb -0.20 0.01 -0.04 0.00 -1.68 0.00 0.00 37.83 35.93 2cra s LYS 9 CO -0.07 -0.58 2.04 0.21 -0.76 0.00 0.00 175.35 176.19 2cra s LYS 10 N -3.57 3.10 0.19 1.68 2.47 -1.26 -4.88 119.74 117.46 2cra s LYS 10 Ca 0.35 1.66 -0.22 0.00 -1.56 0.00 0.00 55.97 56.19 2cra s LYS 10 Cb 0.03 -4.32 0.07 0.00 -1.46 0.00 0.00 37.83 32.15 2cra s LYS 10 CO 0.22 -2.14 1.01 0.50 0.16 0.00 0.00 175.35 175.11 2cra s ARG 11 N 6.26 1.35 0.24 4.03 3.52 -1.26 -5.14 118.95 127.95 2cra s ARG 11 Ca 0.90 -0.85 -0.30 0.00 -0.13 0.00 0.00 55.73 55.35 2cra s ARG 11 Cb -0.26 0.39 -0.10 0.00 -1.56 0.00 0.00 34.95 33.42 2cra s ARG 11 CO 0.33 -0.63 1.39 0.42 -0.81 0.00 0.00 175.30 176.00 2cra s ILE 12 N -2.37 2.84 0.00 4.11 -1.09 -1.26 -5.03 121.20 118.40 2cra s ILE 12 Ca 0.20 0.71 0.00 0.00 -2.23 0.00 0.00 60.65 59.33 2cra s ILE 12 Cb -0.02 -3.45 0.00 0.00 -1.58 0.00 0.00 42.46 37.40 2cra s ILE 12 CO 0.05 0.12 0.00 -0.81 -1.23 0.00 0.00 174.94 173.07 2cra n PRO 13 N 2.30 0.02 -2.05 2.79 -0.04 -1.26 -4.93 135.00 131.83 2cra n PRO 13 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2cra n PRO 13 Cb 0.41 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.87 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 -1.97 -3.94 -1.14 0.54 4.01 -1.26 -4.97 117.16 108.43 2cra n TYR 14 Ca 0.00 2.35 -0.30 0.00 -0.16 0.00 0.00 57.90 59.79 2cra n TYR 14 Cb 0.00 -3.48 0.14 0.00 -0.31 0.00 0.00 39.34 35.68 2cra n TYR 14 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2cra s SER 15 N -0.48 3.50 0.37 7.72 0.15 -1.26 -4.65 113.70 119.05 2cra s SER 15 Ca 0.00 1.61 0.12 0.00 0.70 0.00 0.00 55.95 58.37 2cra s SER 15 Cb 0.00 -2.27 0.90 0.00 -1.71 0.00 0.00 66.02 62.94 2cra s SER 15 CO 0.00 -2.64 1.85 0.07 1.20 0.00 0.00 173.24 173.72 2cra h LYS 16 N -1.55 0.58 -0.40 5.44 2.10 -1.98 0.66 116.57 121.42 2cra h LYS 16 Ca -0.48 -0.03 -0.15 0.00 -2.00 0.00 0.00 60.65 57.98 2cra h LYS 16 Cb 1.27 -0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 32.47 2cra h LYS 16 CO 0.53 0.38 -0.32 0.78 -2.00 0.00 0.00 179.45 178.82 2cra h GLY 17 N 0.60 1.01 0.89 0.07 0.00 -2.00 -1.45 103.07 102.18 2cra h GLY 17 Ca 0.47 -0.99 -0.09 0.00 0.00 0.00 0.00 47.33 46.72 2cra h GLY 17 CO -0.22 0.90 -0.21 1.46 0.00 0.00 0.00 176.54 178.47 2cra h GLN 18 N 0.75 0.57 0.00 4.80 4.20 -1.49 -2.98 115.11 120.96 2cra h GLN 18 Ca 0.07 -0.29 -0.04 0.00 0.06 0.00 0.00 58.65 58.46 2cra h GLN 18 Cb 0.91 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 2cra h GLN 18 CO 0.08 0.88 -0.17 -0.07 -0.67 0.00 0.00 178.83 178.88 2cra h LEU 19 N 0.28 0.00 -1.24 1.46 3.38 -0.95 -2.84 115.31 115.40 2cra h LEU 19 Ca 0.04 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.12 2cra h LEU 19 Cb 0.75 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.44 2cra h LEU 19 CO 0.05 0.17 0.57 -0.09 0.09 0.00 0.00 178.44 179.23 2cra h ARG 20 N 0.00 0.81 0.13 1.13 2.43 -1.09 0.20 114.38 117.98 2cra h ARG 20 Ca -0.00 -0.05 -0.32 0.00 -0.81 0.00 0.00 59.98 58.80 2cra h ARG 20 Cb 0.54 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 2cra h ARG 20 CO 0.02 0.53 -1.62 0.93 -1.51 0.00 0.00 179.97 178.32 2cra h GLU 21 N 0.83 0.27 -0.31 0.20 4.39 -1.61 -3.09 114.58 115.26 2cra h GLU 21 Ca 0.41 -0.46 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 2cra h GLU 21 Cb 0.46 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 2cra h GLU 21 CO -0.18 1.13 0.15 -0.07 -1.16 0.00 0.00 179.01 178.88 2cra h LEU 22 N 0.07 0.40 -0.84 1.33 3.38 -1.24 -0.80 115.31 117.61 2cra h LEU 22 Ca -0.28 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.47 2cra h LEU 22 Cb 2.04 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.67 2cra h LEU 22 CO 0.15 0.41 -0.25 -0.33 0.09 0.00 0.00 178.44 178.51 2cra h GLU 23 N 0.36 0.58 0.60 1.13 5.08 -0.78 -2.16 114.58 119.39 2cra h GLU 23 Ca 0.11 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 2cra h GLU 23 Cb 0.11 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.34 2cra h GLU 23 CO -0.01 0.78 -0.29 -0.09 -1.00 0.00 0.00 179.01 178.40 2cra h ARG 24 N 0.51 -0.77 -0.92 2.33 2.43 -1.40 -2.17 114.38 114.38 2cra h ARG 24 Ca 0.07 0.05 0.18 0.00 -0.81 0.00 0.00 59.98 59.47 2cra h ARG 24 Cb 0.70 0.18 -0.08 0.00 -0.42 0.00 0.00 29.97 30.35 2cra h ARG 24 CO 0.05 -0.52 0.59 0.93 -1.51 0.00 0.00 179.97 179.52 2cra h GLU 25 N -0.99 0.57 -0.31 0.20 3.07 -1.21 -0.81 114.58 115.09 2cra h GLU 25 Ca -0.08 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.74 2cra h GLU 25 Cb 0.62 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.38 2cra h GLU 25 CO 0.13 0.37 0.18 -0.92 -1.40 0.00 0.00 179.01 177.38 2cra h TYR 26 N 0.58 0.41 -0.08 4.33 3.20 -1.33 -1.42 116.97 122.67 2cra h TYR 26 Ca 0.48 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.37 2cra h TYR 26 Cb 0.95 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 39.08 2cra h TYR 26 CO -0.00 0.31 0.07 0.00 -1.64 0.00 0.00 178.16 176.90 2cra h ALA 27 N 1.07 1.88 0.00 1.82 0.00 -0.48 -0.64 119.26 122.91 2cra h ALA 27 Ca 0.11 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.84 2cra h ALA 27 Cb 0.02 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2cra h ALA 27 CO -0.02 -0.11 -0.89 0.00 0.00 0.00 0.00 179.25 178.24 2cra h ALA 28 N 1.94 0.51 -1.21 0.00 0.00 -1.05 -3.46 119.26 115.98 2cra h ALA 28 Ca 0.04 -0.78 0.15 0.00 0.00 0.00 0.00 54.91 54.32 2cra h ALA 28 Cb 0.17 -0.07 -0.25 0.00 0.00 0.00 0.00 17.79 17.64 2cra h ALA 28 CO -0.00 1.03 0.29 0.54 0.00 0.00 0.00 179.25 181.10 2cra s ASN 29 N -6.53 -0.55 0.54 0.00 4.22 -0.25 -5.02 114.94 107.34 2cra s ASN 29 Ca 0.02 0.80 0.22 0.00 -2.14 0.00 0.00 52.86 51.75 2cra s ASN 29 Cb 0.09 1.49 1.39 0.00 1.28 0.00 0.00 41.25 45.50 2cra s ASN 29 CO 0.79 -0.12 2.08 0.11 -2.04 0.00 0.00 177.10 177.92 2cra h LYS 30 N 6.93 0.00 -4.25 3.55 1.79 -1.83 -3.38 116.57 119.39 2cra h LYS 30 Ca -0.20 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.68 2cra h LYS 30 Cb 1.14 0.00 -0.38 0.00 -1.58 0.00 0.00 32.23 31.41 2cra h LYS 30 CO 0.13 0.00 -0.79 -0.06 -1.08 0.00 0.00 179.45 177.65 2cra s PHE 31 N -4.98 2.06 0.41 -1.35 0.40 -1.26 -4.90 117.98 108.37 2cra s PHE 31 Ca -0.05 -1.45 -0.07 0.00 -0.60 0.00 0.00 56.93 54.76 2cra s PHE 31 Cb 0.18 -1.46 0.10 0.00 0.51 0.00 0.00 43.02 42.35 2cra s PHE 31 CO 0.68 -0.71 0.51 0.44 0.70 0.00 0.00 175.22 176.84 2cra n ILE 32 N 4.77 0.00 -4.47 0.64 -5.35 -1.26 -5.10 119.36 108.60 2cra n ILE 32 Ca -0.12 -0.35 -0.24 0.00 -0.27 0.00 0.00 62.75 61.77 2cra n ILE 32 Cb 0.46 -1.64 -0.10 0.00 -1.74 0.00 0.00 39.64 36.62 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 -2.08 2.46 0.51 7.28 -1.32 -1.26 -4.98 115.64 116.26 2cra s THR 33 Ca 0.30 -2.39 0.29 0.00 -1.21 0.00 0.00 61.69 58.68 2cra s THR 33 Cb -0.01 -2.29 0.47 0.00 -1.51 0.00 0.00 72.50 69.15 2cra s THR 33 CO 0.21 -0.39 1.88 0.50 -2.21 0.00 0.00 174.62 174.61 2cra h LYS 34 N 2.32 0.08 -0.19 7.08 3.64 -1.99 0.28 116.57 127.79 2cra h LYS 34 Ca -0.40 -0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 58.80 2cra h LYS 34 Cb 1.26 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 33.06 2cra h LYS 34 CO 0.59 0.05 -0.57 0.22 -2.27 0.00 0.00 179.45 177.48 2cra h ASP 35 N 0.08 0.82 -0.22 4.20 3.58 -2.01 -3.13 116.42 119.75 2cra h ASP 35 Ca 0.44 -0.59 -0.20 0.00 0.42 0.00 0.00 57.03 57.10 2cra h ASP 35 Cb 1.63 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 42.44 2cra h ASP 35 CO -0.05 1.27 -0.65 0.50 -2.88 0.00 0.00 179.24 177.43 2cra h LYS 36 N 0.42 0.84 -0.66 0.28 1.63 -1.11 -3.10 116.57 114.85 2cra h LYS 36 Ca -0.02 -0.59 0.12 0.00 -0.85 0.00 0.00 60.65 59.31 2cra h LYS 36 Cb 1.19 0.09 -0.09 0.00 -0.60 0.00 0.00 32.23 32.83 2cra h LYS 36 CO 0.12 1.22 0.21 -0.09 -3.45 0.00 0.00 179.45 177.46 2cra h ARG 37 N 0.61 0.34 -0.73 1.90 2.43 -0.65 -0.15 114.38 118.14 2cra h ARG 37 Ca -0.01 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.08 2cra h ARG 37 Cb 1.26 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.71 2cra h ARG 37 CO 0.14 0.23 0.24 0.00 -1.51 0.00 0.00 179.97 179.07 2cra h ARG 38 N 0.35 1.11 -0.10 0.20 3.08 -1.55 -1.89 114.38 115.59 2cra h ARG 38 Ca 0.35 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 2cra h ARG 38 Cb 0.52 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 2cra h ARG 38 CO -0.39 0.94 0.06 0.87 -1.07 0.00 0.00 179.97 180.37 2cra h LYS 39 N 1.08 0.14 -0.81 0.04 1.79 -1.02 -2.16 116.57 115.62 2cra h LYS 39 Ca 0.24 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.68 2cra h LYS 39 Cb 0.28 -0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 30.86 2cra h LYS 39 CO -0.01 0.18 0.48 0.82 -1.08 0.00 0.00 179.45 179.83 2cra h ILE 40 N 0.07 1.23 0.00 1.86 2.04 -0.99 -1.31 117.51 120.41 2cra h ILE 40 Ca 0.04 -0.52 -0.03 0.00 1.00 0.00 0.00 64.86 65.35 2cra h ILE 40 Cb 0.08 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.25 2cra h ILE 40 CO -0.01 0.25 -0.12 -1.28 0.00 0.00 0.00 178.15 176.99 2cra h SER 41 N 1.12 0.00 1.36 1.72 0.87 -1.06 0.26 113.55 117.83 2cra h SER 41 Ca 0.29 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.73 2cra h SER 41 Cb -0.03 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 2cra h SER 41 CO -0.05 0.12 -0.65 0.00 -0.53 0.00 0.00 176.83 175.72 2cra h ALA 42 N 1.88 0.63 0.00 6.23 0.00 -0.60 -1.93 119.26 125.47 2cra h ALA 42 Ca -0.00 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 2cra h ALA 42 Cb 0.37 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2cra h ALA 42 CO 0.02 0.73 -0.78 0.00 0.00 0.00 0.00 179.25 179.22 2cra n ALA 43 N -2.26 0.62 0.52 0.00 0.00 -0.76 -4.35 120.51 114.29 2cra n ALA 43 Ca 0.01 -0.56 0.10 0.00 0.00 0.00 0.00 53.44 52.99 2cra n ALA 43 Cb 0.77 -0.02 0.43 0.00 0.00 0.00 0.00 19.45 20.63 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 -4.55 0.79 -2.21 0.00 -2.24 0.86 -4.87 114.28 102.06 2cra n THR 44 Ca -0.13 0.16 -0.17 0.00 -2.27 0.00 0.00 64.05 61.64 2cra n THR 44 Cb 0.39 -0.97 -0.02 0.00 -2.10 0.00 0.00 70.33 67.63 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 -1.89 -5.11 -5.03 3.42 2.88 -0.74 -4.87 113.62 102.29 2cra n SER 45 Ca 0.03 0.05 -0.20 0.00 -1.33 0.00 0.00 58.87 57.43 2cra n SER 45 Cb 0.24 -4.18 0.06 0.00 -0.75 0.00 0.00 64.21 59.57 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 -4.85 3.12 0.19 2.46 1.43 -1.17 -5.01 118.68 114.85 2cra s LEU 46 Ca 0.00 -0.84 -0.04 0.00 -1.03 0.00 0.00 54.13 52.22 2cra s LEU 46 Cb 0.00 -1.68 -0.05 0.00 0.03 0.00 0.00 46.19 44.49 2cra s LEU 46 CO 0.00 -1.29 0.42 -0.55 0.23 0.00 0.00 176.35 175.15 2cra s SER 47 N -4.63 6.46 0.24 2.29 0.15 -1.26 -4.50 113.70 112.46 2cra s SER 47 Ca 0.60 0.58 -0.05 0.00 0.70 0.00 0.00 55.95 57.78 2cra s SER 47 Cb -0.06 -2.09 0.43 0.00 -1.71 0.00 0.00 66.02 62.60 2cra s SER 47 CO 0.38 -0.02 1.74 -0.33 1.20 0.00 0.00 173.24 176.21 2cra h GLU 48 N 2.41 0.45 -0.35 5.44 5.08 -1.97 -0.17 114.58 125.47 2cra h GLU 48 Ca -0.47 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 57.80 2cra h GLU 48 Cb 1.18 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 2cra h GLU 48 CO 0.70 0.30 -0.03 -0.09 -1.00 0.00 0.00 179.01 178.89 2cra h ARG 49 N 0.46 0.64 -0.11 2.33 9.65 -1.98 -2.51 114.38 122.86 2cra h ARG 49 Ca 0.40 -0.22 0.03 0.00 -1.10 0.00 0.00 59.98 59.09 2cra h ARG 49 Cb 0.58 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.09 2cra h ARG 49 CO -0.38 0.78 -0.06 1.96 2.80 0.00 0.00 179.97 185.06 2cra h GLN 50 N 0.44 -0.06 0.00 0.20 4.20 -1.64 0.16 115.11 118.41 2cra h GLN 50 Ca 0.10 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 2cra h GLN 50 Cb 0.51 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.30 2cra h GLN 50 CO 0.02 -0.04 -0.03 0.82 -0.67 0.00 0.00 178.83 178.93 2cra h ILE 51 N -0.06 0.74 0.05 2.54 2.04 -1.05 -2.48 117.51 119.29 2cra h ILE 51 Ca 0.07 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 2cra h ILE 51 Cb 0.16 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 2cra h ILE 51 CO -0.15 0.03 -0.03 0.74 0.00 0.00 0.00 178.15 178.75 2cra h THR 52 N 0.00 1.25 -0.59 -0.27 2.02 -0.77 -3.04 112.91 111.52 2cra h THR 52 Ca -0.00 -1.57 0.11 0.00 0.77 0.00 0.00 66.41 65.72 2cra h THR 52 Cb 0.07 2.20 -0.09 0.00 -1.74 0.00 0.00 68.15 68.59 2cra h THR 52 CO 0.00 0.36 0.11 0.40 0.37 0.00 0.00 175.52 176.77 2cra h ILE 53 N -0.84 0.63 -0.40 3.11 2.04 -0.76 -1.07 117.51 120.23 2cra h ILE 53 Ca -0.01 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 65.81 2cra h ILE 53 Cb 0.65 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 2cra h ILE 53 CO 0.01 0.04 0.15 -0.25 0.00 0.00 0.00 178.15 178.11 2cra h TRP 54 N 0.24 0.27 0.00 1.37 7.01 -1.55 0.40 115.95 123.69 2cra h TRP 54 Ca 0.31 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.32 2cra h TRP 54 Cb 0.46 -0.06 -0.00 0.00 -2.10 0.00 0.00 29.16 27.45 2cra h TRP 54 CO -0.26 0.12 -0.05 0.74 -2.79 0.00 0.00 178.44 176.20 2cra h PHE 55 N 0.32 0.00 0.10 2.65 -1.00 -1.14 -1.36 116.94 116.51 2cra h PHE 55 Ca 0.18 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.95 2cra h PHE 55 Cb 0.15 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.71 2cra h PHE 55 CO -0.14 0.05 -0.05 1.96 -1.61 0.00 0.00 178.31 178.53 2cra h GLN 56 N 0.00 -0.13 -0.36 1.51 4.20 -0.00 -3.21 115.11 117.11 2cra h GLN 56 Ca -0.00 0.01 0.10 0.00 0.06 0.00 0.00 58.65 58.82 2cra h GLN 56 Cb 0.10 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 2cra h GLN 56 CO 0.01 0.36 0.26 -0.91 -0.67 0.00 0.00 178.83 177.87 2cra h ASN 57 N -0.91 0.03 -0.18 1.46 2.35 -0.81 0.22 115.58 117.74 2cra h ASN 57 Ca -0.01 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2cra h ASN 57 Cb 0.54 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 2cra h ASN 57 CO 0.02 0.02 0.10 -0.09 -1.65 0.00 0.00 177.43 175.83 2cra h ARG 58 N 0.03 0.25 0.06 0.81 9.65 -1.30 0.47 114.38 124.35 2cra h ARG 58 Ca 0.17 -0.03 -0.11 0.00 -1.10 0.00 0.00 59.98 58.92 2cra h ARG 58 Cb 0.65 -0.05 0.01 0.00 -1.39 0.00 0.00 29.97 29.19 2cra h ARG 58 CO -0.01 0.24 -0.46 0.00 2.80 0.00 0.00 179.97 182.54 2cra h ARG 59 N 0.19 0.20 -0.07 0.20 3.08 -1.33 -3.26 114.38 113.40 2cra h ARG 59 Ca 0.06 -0.30 0.02 0.00 0.07 0.00 0.00 59.98 59.83 2cra h ARG 59 Cb 0.06 0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 2cra h ARG 59 CO -0.01 1.10 0.09 0.28 -1.07 0.00 0.00 179.97 180.36 2cra h VAL 60 N -0.54 0.42 -0.55 2.04 2.07 -0.63 -1.38 116.25 117.68 2cra h VAL 60 Ca -0.08 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.60 2cra h VAL 60 Cb 1.31 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 2cra h VAL 60 CO 0.09 0.00 0.43 0.50 0.02 0.00 0.00 177.57 178.61 2cra h LYS 61 N 0.00 0.00 -0.47 1.57 3.64 -0.94 0.24 116.57 120.61 2cra h LYS 61 Ca 0.03 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.20 2cra h LYS 61 Cb 0.21 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 31.90 2cra h LYS 61 CO -0.00 0.00 0.07 -0.85 -2.27 0.00 0.00 179.45 176.40 2cra n GLU 62 N -4.19 2.15 -0.05 1.90 0.28 -0.52 -4.51 120.64 115.70 2cra n GLU 62 Ca 0.10 -3.11 -0.07 0.00 -0.16 0.00 0.00 57.16 53.92 2cra n GLU 62 Cb 0.66 -1.90 -0.04 0.00 1.43 0.00 0.00 31.44 31.58 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 -1.00 0.23 -2.53 3.44 4.76 0.84 -5.02 118.16 118.87 2cra n LYS 63 Ca 0.37 0.06 -0.38 0.00 -2.87 0.00 0.00 58.31 55.49 2cra n LYS 63 Cb 1.14 -1.12 -0.04 0.00 -1.84 0.00 0.00 35.03 33.17 2cra n LYS 63 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2cra s LYS 64 N -2.19 4.35 0.41 1.97 2.20 -1.16 -5.04 119.74 120.27 2cra s LYS 64 Ca -0.13 1.60 -0.07 0.00 -0.36 0.00 0.00 55.97 57.01 2cra s LYS 64 Cb 0.04 -2.78 -0.05 0.00 -1.51 0.00 0.00 37.83 33.53 2cra s LYS 64 CO 0.21 0.00 0.73 0.45 -0.36 0.00 0.00 175.35 176.38 2cra s SER 65 N -1.33 6.40 0.00 1.43 0.15 -1.26 -4.97 113.70 114.11 2cra s SER 65 Ca 0.53 0.94 0.00 0.00 0.70 0.00 0.00 55.95 58.12 2cra s SER 65 Cb -0.25 -2.25 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 2cra s SER 65 CO 0.32 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 174.94 2cra n GLY 66 N -1.63 0.23 3.67 9.45 0.00 -1.26 -4.92 105.19 110.71 2cra n GLY 66 Ca 0.01 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 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 -1.27 4.21 -0.12 1.61 0.04 -1.26 -4.94 135.00 133.27 2cra s PRO 67 Ca 0.00 2.01 -0.10 0.00 0.04 0.00 0.00 61.00 62.95 2cra s PRO 67 Cb 0.00 -3.83 -0.08 0.00 0.04 0.00 0.00 34.50 30.63 2cra s PRO 67 CO 0.00 -0.75 0.16 1.03 0.04 0.00 0.00 177.00 177.48 2cra h SER 68 N 8.81 0.00 -3.15 6.66 0.87 -1.94 -3.41 113.55 121.39 2cra h SER 68 Ca -0.36 -0.27 -0.74 0.00 -1.23 0.00 0.00 61.79 59.20 2cra h SER 68 Cb 1.16 0.00 -0.22 0.00 -0.44 0.00 0.00 62.40 62.90 2cra h SER 68 CO 0.95 0.74 0.39 -0.44 -0.53 0.00 0.00 176.83 177.93 2cra s SER 69 N -5.84 6.64 0.00 6.23 0.01 -1.26 -5.26 113.70 114.21 2cra s SER 69 Ca -0.09 -2.28 0.00 0.00 1.31 0.00 0.00 55.95 54.89 2cra s SER 69 Cb 0.00 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.94 2cra s SER 69 CO 0.24 -0.83 0.41 0.61 0.41 0.00 0.00 173.24 174.07