#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 6.19 -0.25 1.61 0.15 -1.26 -4.95 113.70 115.19 2cra s SER 2 Ca 0.00 1.68 -0.09 0.00 0.70 0.00 0.00 55.95 58.24 2cra s SER 2 Cb 0.00 -2.53 0.11 0.00 -1.71 0.00 0.00 66.02 61.89 2cra s SER 2 CO 0.00 -1.40 0.55 -0.44 1.20 0.00 0.00 173.24 173.15 2cra s SER 3 N 5.04 -0.75 -0.26 5.45 0.01 -1.26 -5.16 113.70 116.77 2cra s SER 3 Ca 0.78 1.31 -0.28 0.00 1.31 0.00 0.00 55.95 59.07 2cra s SER 3 Cb -0.27 1.78 0.17 0.00 0.21 0.00 0.00 66.02 67.92 2cra s SER 3 CO 0.32 -0.22 1.27 -0.83 0.41 0.00 0.00 173.24 174.19 2cra s GLY 4 N 2.61 0.07 0.11 3.44 0.00 -1.26 -5.17 107.32 107.12 2cra s GLY 4 Ca -0.05 2.87 0.10 0.00 0.00 0.00 0.00 44.72 47.64 2cra s GLY 4 CO -0.16 1.44 -0.23 -1.35 0.00 0.00 0.00 173.10 172.80 2cra s SER 5 N -0.55 3.54 0.06 1.64 1.04 -1.26 -5.14 113.70 113.03 2cra s SER 5 Ca 0.06 -0.63 0.01 0.00 0.48 0.00 0.00 55.95 55.87 2cra s SER 5 Cb -0.03 -0.38 -0.03 0.00 0.10 0.00 0.00 66.02 65.68 2cra s SER 5 CO -0.08 0.20 -0.06 -0.94 0.98 0.00 0.00 173.24 173.34 2cra s SER 6 N -1.92 0.80 0.00 7.02 1.04 -1.26 -5.16 113.70 114.22 2cra s SER 6 Ca 0.15 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 55.81 2cra s SER 6 Cb -0.10 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.11 2cra s SER 6 CO 0.07 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 174.52 2cra n GLY 7 N 0.74 -2.55 3.01 7.32 0.00 -1.26 -4.96 105.19 107.49 2cra n GLY 7 Ca -0.18 -1.22 -0.32 0.00 0.00 0.00 0.00 46.02 44.30 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 2.73 0.31 1.61 0.52 -1.26 -5.08 118.95 117.79 2cra s ARG 8 Ca 0.00 -3.15 -0.13 0.00 -0.52 0.00 0.00 55.73 51.92 2cra s ARG 8 Cb 0.00 -3.65 -0.08 0.00 0.52 0.00 0.00 34.95 31.74 2cra s ARG 8 CO 0.00 -1.25 0.70 0.21 0.02 0.00 0.00 175.30 174.99 2cra s LYS 9 N -1.13 3.94 -0.52 3.54 2.47 -1.26 -4.95 119.74 121.83 2cra s LYS 9 Ca 0.24 0.57 -0.30 0.00 -1.56 0.00 0.00 55.97 54.92 2cra s LYS 9 Cb -0.10 -2.47 -0.11 0.00 -1.46 0.00 0.00 37.83 33.70 2cra s LYS 9 CO -0.12 0.17 2.38 1.63 0.16 0.00 0.00 175.35 179.58 2cra n LYS 10 N -0.42 0.95 -4.43 4.03 5.02 -1.26 -4.90 118.16 117.16 2cra n LYS 10 Ca 0.03 0.14 -0.21 0.00 -2.02 0.00 0.00 58.31 56.25 2cra n LYS 10 Cb 0.53 -2.76 -0.10 0.00 -0.02 0.00 0.00 35.03 32.68 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 7.60 1.65 0.08 1.97 3.52 -1.26 -5.14 118.95 127.37 2cra s ARG 11 Ca 1.09 -1.93 -0.26 0.00 -0.13 0.00 0.00 55.73 54.50 2cra s ARG 11 Cb -0.60 -0.64 -0.06 0.00 -1.56 0.00 0.00 34.95 32.09 2cra s ARG 11 CO 0.38 -0.28 0.82 0.42 -0.81 0.00 0.00 175.30 175.83 2cra s ILE 12 N -3.40 4.63 0.08 4.11 -1.09 -1.26 -5.07 121.20 119.20 2cra s ILE 12 Ca 0.34 1.75 -0.01 0.00 -2.23 0.00 0.00 60.65 60.50 2cra s ILE 12 Cb 0.07 -4.17 0.02 0.00 -1.58 0.00 0.00 42.46 36.80 2cra s ILE 12 CO 0.15 0.37 0.11 -0.81 -1.23 0.00 0.00 174.94 173.53 2cra n PRO 13 N 2.66 -0.11 -1.89 2.79 -0.04 -1.26 -4.94 135.00 132.21 2cra n PRO 13 Ca -0.02 -0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 2cra n PRO 13 Cb 0.50 -0.12 0.00 0.00 -0.04 0.00 0.00 33.50 33.84 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 -2.15 -3.74 -0.58 0.54 4.01 -1.26 -4.91 117.16 109.08 2cra n TYR 14 Ca 0.01 2.24 -0.29 0.00 -0.16 0.00 0.00 57.90 59.70 2cra n TYR 14 Cb 0.05 -3.36 0.24 0.00 -0.31 0.00 0.00 39.34 35.96 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 -0.43 1.17 0.51 7.72 0.15 -1.26 -4.40 113.70 117.15 2cra s SER 15 Ca 0.00 1.57 0.28 0.00 0.70 0.00 0.00 55.95 58.50 2cra s SER 15 Cb 0.00 -2.32 1.38 0.00 -1.71 0.00 0.00 66.02 63.38 2cra s SER 15 CO 0.00 -4.09 1.89 0.11 1.20 0.00 0.00 173.24 172.34 2cra h LYS 16 N -2.55 0.10 -0.06 5.44 1.79 -1.98 0.23 116.57 119.55 2cra h LYS 16 Ca -0.60 -0.01 -0.19 0.00 -2.18 0.00 0.00 60.65 57.68 2cra h LYS 16 Cb 1.33 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.95 2cra h LYS 16 CO 0.50 0.06 -0.78 0.78 -1.08 0.00 0.00 179.45 178.93 2cra h GLY 17 N 0.10 0.42 1.91 3.86 0.00 -2.00 -2.37 103.07 104.97 2cra h GLY 17 Ca 0.43 -0.63 -0.22 0.00 0.00 0.00 0.00 47.33 46.91 2cra h GLY 17 CO -0.05 0.56 -1.04 1.46 0.00 0.00 0.00 176.54 177.46 2cra h GLN 18 N 0.25 0.07 0.00 4.80 4.20 -0.98 -3.21 115.11 120.24 2cra h GLN 18 Ca -0.04 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.55 2cra h GLN 18 Cb 1.37 0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.19 2cra h GLN 18 CO 0.13 1.04 0.00 -0.07 -0.67 0.00 0.00 178.83 179.26 2cra h LEU 19 N 0.02 0.00 -0.58 1.46 3.38 -0.82 -3.14 115.31 115.63 2cra h LEU 19 Ca -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2cra h LEU 19 Cb 1.79 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.51 2cra h LEU 19 CO 0.15 0.00 0.28 -0.09 0.09 0.00 0.00 178.44 178.87 2cra h ARG 20 N 0.00 0.84 0.06 1.13 2.43 -1.42 0.10 114.38 117.52 2cra h ARG 20 Ca 0.00 -0.12 -0.24 0.00 -0.81 0.00 0.00 59.98 58.81 2cra h ARG 20 Cb 0.80 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 2cra h ARG 20 CO 0.00 0.68 -1.08 0.93 -1.51 0.00 0.00 179.97 178.99 2cra h GLU 21 N 0.79 0.19 -0.15 0.20 3.07 -1.71 -1.66 114.58 115.31 2cra h GLU 21 Ca 0.20 -0.28 -0.11 0.00 -0.50 0.00 0.00 59.36 58.67 2cra h GLU 21 Cb 0.11 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 2cra h GLU 21 CO -0.03 1.09 -0.41 -0.07 -1.40 0.00 0.00 179.01 178.20 2cra h LEU 22 N 0.07 0.35 0.17 1.33 3.38 -1.46 -1.57 115.31 117.58 2cra h LEU 22 Ca -0.08 -0.15 -0.29 0.00 0.09 0.00 0.00 57.88 57.45 2cra h LEU 22 Cb 1.79 -0.10 0.02 0.00 0.09 0.00 0.00 40.66 42.45 2cra h LEU 22 CO 0.17 0.73 -1.38 -0.33 0.09 0.00 0.00 178.44 177.71 2cra h GLU 23 N 0.28 0.36 0.34 1.13 4.39 -0.84 -3.03 114.58 117.22 2cra h GLU 23 Ca 0.03 -0.62 -0.02 0.00 0.34 0.00 0.00 59.36 59.09 2cra h GLU 23 Cb 0.84 0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 2cra h GLU 23 CO 0.07 1.30 -0.17 0.00 -1.16 0.00 0.00 179.01 179.05 2cra h ARG 24 N -0.11 -0.45 -0.63 2.33 3.08 -1.30 0.10 114.38 117.40 2cra h ARG 24 Ca -0.27 0.03 0.01 0.00 0.07 0.00 0.00 59.98 59.82 2cra h ARG 24 Cb 1.91 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 32.03 2cra h ARG 24 CO 0.16 -0.27 0.42 0.93 -1.07 0.00 0.00 179.97 180.14 2cra h GLU 25 N -0.51 0.83 -0.08 0.04 3.07 -1.45 -2.65 114.58 113.83 2cra h GLU 25 Ca -0.05 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 58.74 2cra h GLU 25 Cb 0.38 -0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 28.11 2cra h GLU 25 CO 0.08 0.55 -0.03 -0.92 -1.40 0.00 0.00 179.01 177.29 2cra h TYR 26 N 0.86 0.18 -0.33 4.33 3.20 -1.36 -2.20 116.97 121.65 2cra h TYR 26 Ca 0.23 -0.04 0.10 0.00 3.14 0.00 0.00 58.73 62.15 2cra h TYR 26 Cb -0.10 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 2cra h TYR 26 CO -0.00 0.51 0.33 0.00 -1.64 0.00 0.00 178.16 177.36 2cra h ALA 27 N 0.65 2.04 0.00 1.82 0.00 -0.46 0.22 119.26 123.52 2cra h ALA 27 Ca 0.02 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 2cra h ALA 27 Cb 0.45 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2cra h ALA 27 CO 0.01 -0.50 -1.05 0.00 0.00 0.00 0.00 179.25 177.71 2cra h ALA 28 N 1.64 0.65 -1.75 0.00 0.00 -1.25 -3.47 119.26 115.08 2cra h ALA 28 Ca 0.16 -0.66 0.03 0.00 0.00 0.00 0.00 54.91 54.44 2cra h ALA 28 Cb 0.82 0.12 -0.24 0.00 0.00 0.00 0.00 17.79 18.50 2cra h ALA 28 CO -0.00 0.77 0.30 0.54 0.00 0.00 0.00 179.25 180.86 2cra s ASN 29 N -6.03 -0.60 0.43 0.00 2.20 0.77 -5.03 114.94 106.68 2cra s ASN 29 Ca -0.00 1.11 0.20 0.00 -0.94 0.00 0.00 52.86 53.22 2cra s ASN 29 Cb 0.08 1.16 0.97 0.00 -2.00 0.00 0.00 41.25 41.46 2cra s ASN 29 CO 0.79 -0.19 1.89 0.11 -2.94 0.00 0.00 177.10 176.76 2cra h LYS 30 N 5.04 0.00 -3.34 3.55 1.79 -1.86 -3.35 116.57 118.40 2cra h LYS 30 Ca -0.29 0.00 -0.47 0.00 -2.18 0.00 0.00 60.65 57.72 2cra h LYS 30 Cb 1.18 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 31.43 2cra h LYS 30 CO 0.11 0.27 -0.76 -0.06 -1.08 0.00 0.00 179.45 177.94 2cra s PHE 31 N -4.03 0.53 0.88 -1.35 0.40 -1.26 -4.88 117.98 108.27 2cra s PHE 31 Ca -0.02 -0.42 -0.15 0.00 -0.60 0.00 0.00 56.93 55.74 2cra s PHE 31 Cb 0.13 -0.80 0.22 0.00 0.51 0.00 0.00 43.02 43.08 2cra s PHE 31 CO 0.66 -0.49 0.76 0.44 0.70 0.00 0.00 175.22 177.30 2cra n ILE 32 N 5.18 0.00 -3.42 0.64 -5.35 -1.26 -5.06 119.36 110.09 2cra n ILE 32 Ca -0.07 -0.32 -0.19 0.00 -0.27 0.00 0.00 62.75 61.89 2cra n ILE 32 Cb 0.49 -1.14 -0.01 0.00 -1.74 0.00 0.00 39.64 37.24 2cra n ILE 32 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2cra s THR 33 N -2.37 3.64 0.54 7.28 -4.23 -1.26 -4.97 115.64 114.27 2cra s THR 33 Ca 0.50 -1.08 0.33 0.00 -1.18 0.00 0.00 61.69 60.27 2cra s THR 33 Cb -0.05 -3.25 0.37 0.00 1.34 0.00 0.00 72.50 70.90 2cra s THR 33 CO 0.39 -0.11 2.22 0.50 -0.54 0.00 0.00 174.62 177.08 2cra h LYS 34 N 0.90 0.00 0.03 3.99 1.63 -2.00 -1.77 116.57 119.35 2cra h LYS 34 Ca -0.44 0.00 -0.26 0.00 -0.85 0.00 0.00 60.65 59.10 2cra h LYS 34 Cb 1.26 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.86 2cra h LYS 34 CO 0.52 0.03 -1.41 0.22 -3.45 0.00 0.00 179.45 175.36 2cra h ASP 35 N 0.00 0.10 -0.74 4.20 1.82 -2.01 -3.36 116.42 116.42 2cra h ASP 35 Ca -0.00 -0.61 0.13 0.00 -0.39 0.00 0.00 57.03 56.16 2cra h ASP 35 Cb 0.12 -0.03 -0.05 0.00 0.68 0.00 0.00 39.33 40.05 2cra h ASP 35 CO 0.00 1.57 0.49 0.50 -1.61 0.00 0.00 179.24 180.20 2cra h LYS 36 N -0.77 0.49 -0.34 0.28 1.63 -1.90 -1.42 116.57 114.54 2cra h LYS 36 Ca -0.36 -0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.42 2cra h LYS 36 Cb 1.46 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.96 2cra h LYS 36 CO -0.14 0.32 0.22 -0.09 -3.45 0.00 0.00 179.45 176.31 2cra h ARG 37 N 0.50 0.43 -0.86 1.90 2.43 -1.49 -1.98 114.38 115.32 2cra h ARG 37 Ca 0.36 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.57 2cra h ARG 37 Cb 0.70 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 30.09 2cra h ARG 37 CO -0.12 0.28 0.53 0.00 -1.51 0.00 0.00 179.97 179.15 2cra h ARG 38 N 0.44 0.92 0.31 0.20 3.08 -1.40 -1.59 114.38 116.35 2cra h ARG 38 Ca 0.13 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 2cra h ARG 38 Cb -0.03 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.82 2cra h ARG 38 CO -0.04 0.61 -0.15 0.87 -1.07 0.00 0.00 179.97 180.19 2cra h LYS 39 N 0.95 -0.41 -0.77 0.04 1.79 -1.26 -2.64 116.57 114.26 2cra h LYS 39 Ca 0.38 0.03 0.14 0.00 -2.18 0.00 0.00 60.65 59.01 2cra h LYS 39 Cb 0.20 0.09 -0.05 0.00 -1.58 0.00 0.00 32.23 30.89 2cra h LYS 39 CO -0.18 -0.22 0.51 0.82 -1.08 0.00 0.00 179.45 179.29 2cra h ILE 40 N -0.49 0.83 0.00 1.86 2.04 -1.02 0.24 117.51 120.97 2cra h ILE 40 Ca -0.04 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 2cra h ILE 40 Cb 0.37 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 2cra h ILE 40 CO 0.07 0.09 -0.09 -1.28 0.00 0.00 0.00 178.15 176.94 2cra h SER 41 N 0.51 0.00 0.06 1.72 0.87 -0.94 0.54 113.55 116.32 2cra h SER 41 Ca 0.38 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.63 2cra h SER 41 Cb 0.74 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.68 2cra h SER 41 CO -0.13 0.09 -1.66 0.00 -0.53 0.00 0.00 176.83 174.59 2cra n ALA 42 N -2.30 0.84 0.23 6.23 0.00 0.71 -0.80 120.51 125.42 2cra n ALA 42 Ca -0.02 -0.55 0.08 0.00 0.00 0.00 0.00 53.44 52.95 2cra n ALA 42 Cb 0.20 -0.61 0.56 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.22 1.37 0.00 0.00 0.00 -0.99 -2.87 119.26 116.56 2cra h ALA 43 Ca -0.40 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2cra h ALA 43 Cb 1.68 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.44 2cra h ALA 43 CO -0.06 0.26 -0.51 0.25 0.00 0.00 0.00 179.25 179.18 2cra n THR 44 N -3.88 0.00 -2.38 0.00 -2.24 0.17 -4.98 114.28 100.96 2cra n THR 44 Ca -0.02 -0.25 -0.17 0.00 -2.27 0.00 0.00 64.05 61.34 2cra n THR 44 Cb 0.30 0.99 -0.00 0.00 -2.10 0.00 0.00 70.33 69.51 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 -1.26 -5.11 -4.02 3.42 7.64 0.01 -4.92 113.62 109.39 2cra n SER 45 Ca 0.02 -0.04 -0.16 0.00 1.01 0.00 0.00 58.87 59.70 2cra n SER 45 Cb 0.17 -4.17 0.02 0.00 -1.01 0.00 0.00 64.21 59.21 2cra n SER 45 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2cra n LEU 46 N -2.57 0.00 -4.92 -3.43 4.77 -0.10 -4.97 117.00 105.79 2cra n LEU 46 Ca -0.20 -1.89 -0.26 0.00 -0.03 0.00 0.00 56.01 53.63 2cra n LEU 46 Cb 0.65 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.55 2cra n LEU 46 CO 0.25 -0.56 -0.12 -0.44 -1.33 0.00 0.00 177.39 175.19 2cra s SER 47 N -3.38 6.20 0.18 -1.43 0.01 -1.26 -4.53 113.70 109.49 2cra s SER 47 Ca 0.31 0.13 -0.14 0.00 1.31 0.00 0.00 55.95 57.56 2cra s SER 47 Cb -0.02 -1.83 0.17 0.00 0.21 0.00 0.00 66.02 64.54 2cra s SER 47 CO 0.20 0.06 1.68 -0.33 0.41 0.00 0.00 173.24 175.26 2cra h GLU 48 N 2.24 0.09 -0.21 12.44 5.08 -1.95 -0.90 114.58 131.37 2cra h GLU 48 Ca -0.48 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 57.87 2cra h GLU 48 Cb 1.19 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 2cra h GLU 48 CO 0.68 0.06 0.10 -0.09 -1.00 0.00 0.00 179.01 178.77 2cra h ARG 49 N 0.10 0.29 -0.42 2.33 9.65 -1.98 -1.93 114.38 122.42 2cra h ARG 49 Ca 0.24 -0.04 0.08 0.00 -1.10 0.00 0.00 59.98 59.16 2cra h ARG 49 Cb 0.36 -0.05 -0.08 0.00 -1.39 0.00 0.00 29.97 28.80 2cra h ARG 49 CO -0.41 0.30 -0.08 1.96 2.80 0.00 0.00 179.97 184.54 2cra h GLN 50 N 0.21 0.02 -0.15 0.20 4.20 -1.76 0.24 115.11 118.07 2cra h GLN 50 Ca 0.07 -0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 2cra h GLN 50 Cb 0.10 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 2cra h GLN 50 CO -0.01 0.02 -0.05 0.82 -0.67 0.00 0.00 178.83 178.93 2cra h ILE 51 N 0.02 1.13 0.01 2.54 2.04 -1.04 -2.67 117.51 119.55 2cra h ILE 51 Ca 0.20 -0.55 -0.00 0.00 1.00 0.00 0.00 64.86 65.51 2cra h ILE 51 Cb 0.31 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 2cra h ILE 51 CO -0.41 0.18 -0.01 0.74 0.00 0.00 0.00 178.15 178.65 2cra h THR 52 N 0.22 1.43 -0.75 -0.27 2.02 -0.15 -3.04 112.91 112.38 2cra h THR 52 Ca 0.05 -1.37 0.14 0.00 0.77 0.00 0.00 66.41 66.00 2cra h THR 52 Cb 0.24 2.35 -0.09 0.00 -1.74 0.00 0.00 68.15 68.91 2cra h THR 52 CO 0.01 0.35 0.29 0.40 0.37 0.00 0.00 175.52 176.94 2cra h ILE 53 N -0.61 0.66 0.12 3.11 2.04 -0.46 -1.48 117.51 120.88 2cra h ILE 53 Ca -0.00 -0.15 0.01 0.00 1.00 0.00 0.00 64.86 65.72 2cra h ILE 53 Cb 0.59 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 2cra h ILE 53 CO 0.00 0.08 -0.17 -0.25 0.00 0.00 0.00 178.15 177.81 2cra h TRP 54 N 0.43 -0.44 -0.66 1.37 7.01 -1.52 -0.26 115.95 121.88 2cra h TRP 54 Ca 0.41 0.01 0.12 0.00 2.11 0.00 0.00 58.89 61.54 2cra h TRP 54 Cb 0.62 0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 27.82 2cra h TRP 54 CO -0.17 -0.25 0.44 0.74 -2.79 0.00 0.00 178.44 176.41 2cra h PHE 55 N -0.34 0.42 0.20 2.65 -1.00 -1.22 -2.03 116.94 115.63 2cra h PHE 55 Ca 0.02 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.80 2cra h PHE 55 Cb 0.35 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 39.78 2cra h PHE 55 CO -0.16 0.18 -0.10 1.96 -1.61 0.00 0.00 178.31 178.58 2cra h GLN 56 N 0.38 -0.26 -0.83 1.51 4.20 -0.47 -2.54 115.11 117.10 2cra h GLN 56 Ca 0.31 0.02 0.24 0.00 0.06 0.00 0.00 58.65 59.28 2cra h GLN 56 Cb 0.70 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.51 2cra h GLN 56 CO -0.09 0.13 0.60 -0.91 -0.67 0.00 0.00 178.83 177.89 2cra h ASN 57 N -0.80 0.00 0.24 1.46 2.35 -0.58 0.28 115.58 118.52 2cra h ASN 57 Ca -0.03 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 2cra h ASN 57 Cb 0.51 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.89 2cra h ASN 57 CO 0.05 0.00 -0.11 -0.09 -1.65 0.00 0.00 177.43 175.62 2cra h ARG 58 N 0.00 -0.30 0.00 0.81 9.65 -1.33 -0.97 114.38 122.24 2cra h ARG 58 Ca 0.39 0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 59.28 2cra h ARG 58 Cb 1.58 0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 30.23 2cra h ARG 58 CO -0.00 0.02 -0.08 0.00 2.80 0.00 0.00 179.97 182.71 2cra h ARG 59 N -0.96 0.00 0.00 0.20 2.47 -0.90 -1.15 114.38 114.05 2cra h ARG 59 Ca -0.03 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.63 2cra h ARG 59 Cb 0.47 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.78 2cra h ARG 59 CO 0.05 0.08 -0.60 0.28 0.56 0.00 0.00 179.97 180.35 2cra h VAL 60 N 0.00 0.34 0.00 2.04 2.07 -0.52 -3.22 116.25 116.96 2cra h VAL 60 Ca -0.00 -1.53 -0.20 0.00 0.82 0.00 0.00 66.70 65.79 2cra h VAL 60 Cb 0.19 2.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 2cra h VAL 60 CO 0.01 0.19 -0.97 0.11 0.02 0.00 0.00 177.57 176.93 2cra h LYS 61 N 0.00 0.00 0.00 1.57 1.57 0.06 0.42 116.57 120.19 2cra h LYS 61 Ca -0.03 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 2cra h LYS 61 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 2cra h LYS 61 CO 0.03 0.93 -0.49 1.05 -0.57 0.00 0.00 179.45 180.39 2cra h GLU 62 N 0.00 0.00 0.00 3.15 4.11 -1.47 -3.28 114.58 117.09 2cra h GLU 62 Ca -0.02 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 59.07 2cra h GLU 62 Cb 1.74 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.92 2cra h GLU 62 CO 0.12 0.49 -2.18 0.36 0.07 0.00 0.00 179.01 177.87 2cra n LYS 63 N -3.37 0.67 -3.73 1.06 -0.00 -1.22 -4.87 118.16 106.71 2cra n LYS 63 Ca 0.01 0.09 -0.37 0.00 -0.00 0.00 0.00 58.31 58.04 2cra n LYS 63 Cb 0.65 -1.60 -0.12 0.00 -0.00 0.00 0.00 35.03 33.96 2cra n LYS 63 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2cra s LYS 64 N -2.52 3.73 0.54 -1.58 2.20 0.13 -5.07 119.74 117.17 2cra s LYS 64 Ca -0.09 -0.44 -0.21 0.00 -0.36 0.00 0.00 55.97 54.88 2cra s LYS 64 Cb 0.07 -3.40 -0.07 0.00 -1.51 0.00 0.00 37.83 32.93 2cra s LYS 64 CO 0.83 -0.17 1.04 0.43 -0.36 0.00 0.00 175.35 177.12 2cra n SER 65 N 4.90 1.24 0.00 1.43 7.64 -1.26 -4.52 113.62 123.05 2cra n SER 65 Ca -0.16 0.90 0.00 0.00 1.01 0.00 0.00 58.87 60.63 2cra n SER 65 Cb 0.52 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 2cra n SER 65 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cra n GLY 66 N 1.17 -1.90 3.73 0.23 0.00 -1.26 -5.08 105.19 102.09 2cra n GLY 66 Ca 0.12 0.64 -0.30 0.00 0.00 0.00 0.00 46.02 46.47 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 1.58 -0.02 1.61 0.04 -1.26 -5.08 135.00 131.86 2cra s PRO 67 Ca 0.00 0.93 -0.18 0.00 0.04 0.00 0.00 61.00 61.79 2cra s PRO 67 Cb 0.00 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.73 2cra s PRO 67 CO 0.00 -2.05 0.37 -1.54 0.04 0.00 0.00 177.00 173.82 2cra s SER 68 N -3.42 -0.27 0.17 6.66 1.04 -1.26 -5.06 113.70 111.56 2cra s SER 68 Ca 0.63 0.20 -0.15 0.00 0.48 0.00 0.00 55.95 57.11 2cra s SER 68 Cb -0.18 0.36 0.10 0.00 0.10 0.00 0.00 66.02 66.40 2cra s SER 68 CO 0.57 -0.47 1.75 0.77 0.98 0.00 0.00 173.24 176.84 2cra h SER 69 N 3.74 0.16 0.00 7.02 4.64 -2.07 -3.57 113.55 123.47 2cra h SER 69 Ca -0.29 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 2cra h SER 69 Cb 1.17 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2cra h SER 69 CO 0.40 0.13 0.00 0.61 -0.87 0.00 0.00 176.83 177.09