#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 4.74 -0.09 1.61 1.04 -1.26 -5.06 113.70 114.69 2cra s SER 2 Ca 0.00 -0.72 0.02 0.00 0.48 0.00 0.00 55.95 55.74 2cra s SER 2 Cb 0.00 -0.79 -0.07 0.00 0.10 0.00 0.00 66.02 65.26 2cra s SER 2 CO 0.00 -0.25 -0.05 -1.20 0.98 0.00 0.00 173.24 172.72 2cra n SER 3 N -1.13 3.27 -4.00 7.02 7.64 -1.26 -4.92 113.62 120.23 2cra n SER 3 Ca -0.04 -0.04 -0.12 0.00 1.01 0.00 0.00 58.87 59.69 2cra n SER 3 Cb 0.61 0.10 -0.12 0.00 -1.01 0.00 0.00 64.21 63.79 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 -4.60 0.34 -0.09 0.23 0.00 -1.26 -5.08 107.32 96.87 2cra s GLY 4 Ca -0.10 -0.58 -0.06 0.00 0.00 0.00 0.00 44.72 43.98 2cra s GLY 4 CO 0.24 -0.62 -0.12 -1.26 0.00 0.00 0.00 173.10 171.34 2cra n SER 5 N 1.81 1.07 -4.50 1.64 2.88 -1.26 -4.87 113.62 110.38 2cra n SER 5 Ca -0.21 0.44 -0.36 0.00 -1.33 0.00 0.00 58.87 57.41 2cra n SER 5 Cb 0.56 -0.71 0.07 0.00 -0.75 0.00 0.00 64.21 63.37 2cra n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2cra n SER 6 N -3.64 -0.74 0.00 -3.46 2.88 -1.26 -4.87 113.62 102.53 2cra n SER 6 Ca -0.05 0.64 0.00 0.00 -1.33 0.00 0.00 58.87 58.13 2cra n SER 6 Cb 0.17 -1.26 0.00 0.00 -0.75 0.00 0.00 64.21 62.38 2cra n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cra n GLY 7 N 1.55 4.63 0.23 0.46 0.00 -1.26 -4.86 105.19 105.95 2cra n GLY 7 Ca 0.11 -0.80 -0.14 0.00 0.00 0.00 0.00 46.02 45.19 2cra n GLY 7 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2cra h ARG 8 N 0.00 0.80 -1.72 1.61 0.11 -2.03 -3.33 114.38 109.82 2cra h ARG 8 Ca 0.00 -0.48 -0.54 0.00 0.10 0.00 0.00 59.98 59.06 2cra h ARG 8 Cb 0.00 0.05 -0.41 0.00 1.11 0.00 0.00 29.97 30.71 2cra h ARG 8 CO 0.00 1.11 -0.83 1.17 0.10 0.00 0.00 179.97 181.52 2cra n LYS 9 N -4.12 2.73 -3.80 0.08 4.81 -1.26 -5.07 118.16 111.52 2cra n LYS 9 Ca -0.04 -4.29 -0.32 0.00 -0.87 0.00 0.00 58.31 52.79 2cra n LYS 9 Cb 0.57 -2.02 -0.04 0.00 0.02 0.00 0.00 35.03 33.55 2cra n LYS 9 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2cra s LYS 10 N -3.33 3.53 0.15 1.64 2.47 -1.25 -5.10 119.74 117.85 2cra s LYS 10 Ca 0.44 -0.26 -0.03 0.00 -1.56 0.00 0.00 55.97 54.57 2cra s LYS 10 Cb 0.37 -2.97 0.04 0.00 -1.46 0.00 0.00 37.83 33.81 2cra s LYS 10 CO -0.13 0.56 0.10 2.89 0.16 0.00 0.00 175.35 178.93 2cra n ARG 11 N 0.31 -2.17 -1.62 4.03 1.85 -1.26 -4.85 116.66 112.95 2cra n ARG 11 Ca -0.05 -0.16 -0.47 0.00 -1.00 0.00 0.00 57.85 56.18 2cra n ARG 11 Cb 0.52 -0.20 -0.03 0.00 -1.05 0.00 0.00 32.46 31.69 2cra n ARG 11 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 2cra n ILE 12 N -3.23 1.02 -0.99 8.89 2.08 -1.26 -4.98 119.36 120.89 2cra n ILE 12 Ca 0.01 -0.26 -0.00 0.00 0.56 0.00 0.00 62.75 63.07 2cra n ILE 12 Cb 0.06 -1.14 0.00 0.00 -0.75 0.00 0.00 39.64 37.81 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 1.78 -0.06 -2.14 0.38 -0.04 -1.26 -4.91 135.00 128.74 2cra n PRO 13 Ca 0.13 -0.02 -0.01 0.00 -0.04 0.00 0.00 63.50 63.56 2cra n PRO 13 Cb 0.28 -0.01 -0.00 0.00 -0.04 0.00 0.00 33.50 33.73 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 -2.04 -3.95 -1.25 0.54 4.01 -1.26 -4.98 117.16 108.23 2cra n TYR 14 Ca 0.00 2.34 -0.29 0.00 -0.16 0.00 0.00 57.90 59.79 2cra n TYR 14 Cb 0.01 -3.52 0.14 0.00 -0.31 0.00 0.00 39.34 35.66 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 -0.50 3.40 0.54 7.72 0.01 -1.26 -4.62 113.70 118.99 2cra s SER 15 Ca -0.03 1.37 0.29 0.00 1.31 0.00 0.00 55.95 58.90 2cra s SER 15 Cb 0.00 -2.05 1.45 0.00 0.21 0.00 0.00 66.02 65.63 2cra s SER 15 CO 0.07 -2.67 1.93 0.07 0.41 0.00 0.00 173.24 173.05 2cra h LYS 16 N -1.57 0.00 -0.03 12.44 2.10 -1.94 0.84 116.57 128.42 2cra h LYS 16 Ca -0.50 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 57.91 2cra h LYS 16 Cb 1.29 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.63 2cra h LYS 16 CO 0.56 0.00 -0.93 0.78 -2.00 0.00 0.00 179.45 177.87 2cra h GLY 17 N 0.00 0.62 0.44 0.07 0.00 -1.99 -2.24 103.07 99.96 2cra h GLY 17 Ca 0.35 -1.02 -0.02 0.00 0.00 0.00 0.00 47.33 46.64 2cra h GLY 17 CO -0.00 0.90 -0.05 1.46 0.00 0.00 0.00 176.54 178.85 2cra h GLN 18 N 0.33 0.06 0.00 4.80 4.20 -1.24 -3.16 115.11 120.11 2cra h GLN 18 Ca -0.09 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.56 2cra h GLN 18 Cb 1.56 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 29.34 2cra h GLN 18 CO 0.17 0.66 -0.08 -0.07 -0.67 0.00 0.00 178.83 178.84 2cra h LEU 19 N -0.53 0.00 -1.59 1.46 3.38 -1.22 -2.47 115.31 114.34 2cra h LEU 19 Ca -0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2cra h LEU 19 Cb 0.67 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 2cra h LEU 19 CO 0.01 0.08 0.32 -0.09 0.09 0.00 0.00 178.44 178.85 2cra h ARG 20 N 0.00 0.52 0.17 1.13 2.43 -1.36 0.24 114.38 117.51 2cra h ARG 20 Ca -0.00 -0.03 -0.33 0.00 -0.81 0.00 0.00 59.98 58.81 2cra h ARG 20 Cb 0.35 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 29.79 2cra h ARG 20 CO 0.01 0.34 -1.60 0.93 -1.51 0.00 0.00 179.97 178.15 2cra h GLU 21 N 0.53 0.35 0.23 0.20 4.39 -1.54 -3.19 114.58 115.55 2cra h GLU 21 Ca 0.19 -0.61 -0.01 0.00 0.34 0.00 0.00 59.36 59.27 2cra h GLU 21 Cb 0.10 0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 2cra h GLU 21 CO -0.05 1.25 -0.11 -0.07 -1.16 0.00 0.00 179.01 178.88 2cra h LEU 22 N 0.10 -0.26 -0.65 1.33 3.38 -1.34 -1.93 115.31 115.94 2cra h LEU 22 Ca -0.28 -0.20 0.10 0.00 0.09 0.00 0.00 57.88 57.59 2cra h LEU 22 Cb 2.07 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 42.81 2cra h LEU 22 CO 0.19 0.08 0.25 -0.33 0.09 0.00 0.00 178.44 178.72 2cra h GLU 23 N -0.61 0.42 0.52 1.13 5.08 -0.71 0.25 114.58 120.66 2cra h GLU 23 Ca -0.03 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2cra h GLU 23 Cb 0.44 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2cra h GLU 23 CO 0.05 0.28 -0.27 0.00 -1.00 0.00 0.00 179.01 178.07 2cra h ARG 24 N 0.43 -0.70 -0.71 2.33 3.08 -1.53 -1.31 114.38 115.97 2cra h ARG 24 Ca 0.33 0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.46 2cra h ARG 24 Cb 0.43 0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.60 2cra h ARG 24 CO -0.33 -0.47 0.47 0.93 -1.07 0.00 0.00 179.97 179.50 2cra h GLU 25 N -0.72 0.83 -0.03 0.04 3.07 -0.89 -2.52 114.58 114.36 2cra h GLU 25 Ca -0.07 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.74 2cra h GLU 25 Cb 0.57 -0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 28.29 2cra h GLU 25 CO 0.10 0.55 0.02 -0.92 -1.40 0.00 0.00 179.01 177.36 2cra h TYR 26 N 0.86 0.04 -0.48 4.33 3.20 -0.17 0.71 116.97 125.46 2cra h TYR 26 Ca 0.28 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.29 2cra h TYR 26 Cb 0.05 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 2cra h TYR 26 CO -0.00 0.08 0.39 0.00 -1.64 0.00 0.00 178.16 176.99 2cra h ALA 27 N 0.96 2.33 0.07 1.82 0.00 -0.80 -0.20 119.26 123.44 2cra h ALA 27 Ca 0.01 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.60 2cra h ALA 27 Cb 0.05 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2cra h ALA 27 CO -0.00 -0.64 -1.61 0.00 0.00 0.00 0.00 179.25 177.00 2cra h ALA 28 N 1.66 0.45 -1.97 0.00 0.00 -1.23 -3.47 119.26 114.70 2cra h ALA 28 Ca 0.23 -1.24 0.01 0.00 0.00 0.00 0.00 54.91 53.91 2cra h ALA 28 Cb 1.01 0.37 -0.21 0.00 0.00 0.00 0.00 17.79 18.96 2cra h ALA 28 CO -0.00 1.31 0.07 0.54 0.00 0.00 0.00 179.25 181.17 2cra s ASN 29 N -6.71 -0.87 0.36 0.00 4.22 0.18 -5.02 114.94 107.10 2cra s ASN 29 Ca -0.09 1.46 0.26 0.00 -2.14 0.00 0.00 52.86 52.35 2cra s ASN 29 Cb 0.07 1.39 0.82 0.00 1.28 0.00 0.00 41.25 44.82 2cra s ASN 29 CO 0.83 -0.24 1.76 0.11 -2.04 0.00 0.00 177.10 177.52 2cra h LYS 30 N 6.42 0.00 -3.56 3.55 1.79 -1.82 -3.33 116.57 119.62 2cra h LYS 30 Ca -0.30 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.64 2cra h LYS 30 Cb 1.21 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 31.46 2cra h LYS 30 CO 0.13 0.00 -0.76 -0.06 -1.08 0.00 0.00 179.45 177.68 2cra s PHE 31 N -3.30 1.16 0.76 -1.35 0.08 -1.26 -4.86 117.98 109.21 2cra s PHE 31 Ca 0.06 -1.01 -0.09 0.00 0.12 0.00 0.00 56.93 56.01 2cra s PHE 31 Cb 0.09 -1.13 0.08 0.00 -0.57 0.00 0.00 43.02 41.49 2cra s PHE 31 CO 0.57 -0.66 1.10 0.96 -0.10 0.00 0.00 175.22 177.09 2cra s ILE 32 N 1.81 2.14 0.39 0.64 -4.36 -1.26 -5.10 121.20 115.46 2cra s ILE 32 Ca 0.00 -0.16 0.08 0.00 -0.26 0.00 0.00 60.65 60.31 2cra s ILE 32 Cb -0.17 -2.99 -0.04 0.00 1.25 0.00 0.00 42.46 40.51 2cra s ILE 32 CO -0.11 0.00 0.25 0.28 0.24 0.00 0.00 174.94 175.60 2cra s THR 33 N -3.42 2.69 0.62 8.37 -1.32 -1.26 -4.92 115.64 116.40 2cra s THR 33 Ca 0.62 -1.54 0.33 0.00 -1.21 0.00 0.00 61.69 59.88 2cra s THR 33 Cb -0.10 -3.01 0.37 0.00 -1.51 0.00 0.00 72.50 68.25 2cra s THR 33 CO 0.47 -0.06 2.16 0.11 -2.21 0.00 0.00 174.62 175.09 2cra h LYS 34 N 1.30 0.00 0.00 7.08 1.57 -1.99 0.37 116.57 124.90 2cra h LYS 34 Ca -0.43 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.34 2cra h LYS 34 Cb 1.26 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.56 2cra h LYS 34 CO 0.63 0.00 -0.29 0.22 -0.57 0.00 0.00 179.45 179.44 2cra h ASP 35 N 0.00 0.00 0.11 0.86 1.82 -2.01 -3.14 116.42 114.05 2cra h ASP 35 Ca 0.04 0.00 -0.36 0.00 -0.39 0.00 0.00 57.03 56.32 2cra h ASP 35 Cb 0.33 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.29 2cra h ASP 35 CO -0.00 0.08 -2.23 1.17 -1.61 0.00 0.00 179.24 176.65 2cra n LYS 36 N -3.03 0.68 -0.14 0.28 3.00 0.92 -4.31 118.16 115.56 2cra n LYS 36 Ca 0.03 0.14 -0.04 0.00 -0.00 0.00 0.00 58.31 58.44 2cra n LYS 36 Cb 0.57 -1.60 0.17 0.00 0.00 0.00 0.00 35.03 34.16 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 0.85 -0.85 1.64 2.43 -0.61 -2.57 114.38 115.29 2cra h ARG 37 Ca -0.49 -0.19 0.07 0.00 -0.81 0.00 0.00 59.98 58.56 2cra h ARG 37 Cb 2.06 -0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 31.42 2cra h ARG 37 CO 0.01 0.79 0.52 0.07 -1.51 0.00 0.00 179.97 179.85 2cra h ARG 38 N 0.81 0.89 0.48 0.20 0.11 -1.73 0.33 114.38 115.46 2cra h ARG 38 Ca 0.17 -0.05 -0.02 0.00 0.10 0.00 0.00 59.98 60.17 2cra h ARG 38 Cb 0.35 -0.20 0.00 0.00 1.11 0.00 0.00 29.97 31.24 2cra h ARG 38 CO 0.01 0.59 -0.23 0.87 0.10 0.00 0.00 179.97 181.30 2cra h LYS 39 N 0.91 -0.62 -0.84 0.08 1.79 -1.68 -3.01 116.57 113.21 2cra h LYS 39 Ca 0.39 0.04 0.22 0.00 -2.18 0.00 0.00 60.65 59.12 2cra h LYS 39 Cb 0.25 0.14 -0.05 0.00 -1.58 0.00 0.00 32.23 30.99 2cra h LYS 39 CO -0.20 -0.32 0.58 0.82 -1.08 0.00 0.00 179.45 179.25 2cra h ILE 40 N -1.04 0.64 -0.33 1.86 2.04 -1.30 0.34 117.51 119.72 2cra h ILE 40 Ca -0.07 -0.07 -0.06 0.00 1.00 0.00 0.00 64.86 65.67 2cra h ILE 40 Cb 0.58 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 2cra h ILE 40 CO 0.11 0.04 -0.05 -1.28 0.00 0.00 0.00 178.15 176.96 2cra h SER 41 N 0.19 0.51 0.35 1.72 0.87 -0.86 -0.14 113.55 116.19 2cra h SER 41 Ca 0.42 -0.11 -0.32 0.00 -1.23 0.00 0.00 61.79 60.55 2cra h SER 41 Cb 1.35 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 63.15 2cra h SER 41 CO -0.09 0.61 -1.75 0.00 -0.53 0.00 0.00 176.83 175.08 2cra h ALA 42 N 1.45 0.48 -0.38 6.23 0.00 -0.38 0.16 119.26 126.81 2cra h ALA 42 Ca 0.10 -1.32 -0.05 0.00 0.00 0.00 0.00 54.91 53.64 2cra h ALA 42 Cb 0.41 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2cra h ALA 42 CO 0.02 1.34 0.03 0.00 0.00 0.00 0.00 179.25 180.64 2cra h ALA 43 N 0.50 0.52 -0.56 0.00 0.00 -0.40 -3.00 119.26 116.30 2cra h ALA 43 Ca -0.32 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2cra h ALA 43 Cb 2.02 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.67 2cra h ALA 43 CO 0.11 0.26 0.00 0.25 0.00 0.00 0.00 179.25 179.87 2cra n THR 44 N -4.50 0.79 -2.58 0.00 -2.24 -0.08 -4.94 114.28 100.73 2cra n THR 44 Ca -0.01 -0.89 -0.14 0.00 -2.27 0.00 0.00 64.05 60.73 2cra n THR 44 Cb 0.26 0.70 -0.00 0.00 -2.10 0.00 0.00 70.33 69.19 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 1.50 -4.03 -4.89 3.42 7.64 -0.70 -4.91 113.62 111.66 2cra n SER 45 Ca 0.21 0.09 -0.20 0.00 1.01 0.00 0.00 58.87 59.98 2cra n SER 45 Cb 0.60 -3.40 -0.03 0.00 -1.01 0.00 0.00 64.21 60.37 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 -5.78 3.49 0.32 -3.43 1.43 0.46 -4.96 118.68 110.21 2cra s LEU 46 Ca 0.06 -0.63 -0.08 0.00 -1.03 0.00 0.00 54.13 52.46 2cra s LEU 46 Cb -0.03 -2.19 -0.06 0.00 0.03 0.00 0.00 46.19 43.94 2cra s LEU 46 CO 0.08 -0.58 0.63 -0.44 0.23 0.00 0.00 176.35 176.27 2cra s SER 47 N -4.12 6.52 0.26 2.29 0.01 -1.26 -4.30 113.70 113.09 2cra s SER 47 Ca 0.47 0.91 -0.02 0.00 1.31 0.00 0.00 55.95 58.63 2cra s SER 47 Cb -0.05 -2.23 0.50 0.00 0.21 0.00 0.00 66.02 64.45 2cra s SER 47 CO 0.28 -0.24 1.78 -0.33 0.41 0.00 0.00 173.24 175.14 2cra h GLU 48 N 1.70 0.69 -0.18 12.44 5.08 -1.94 -1.44 114.58 130.95 2cra h GLU 48 Ca -0.47 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 57.81 2cra h GLU 48 Cb 1.18 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 2cra h GLU 48 CO 0.66 0.46 -0.05 -0.09 -1.00 0.00 0.00 179.01 178.99 2cra h ARG 49 N 0.71 0.34 0.12 2.33 9.65 -1.98 -2.68 114.38 122.87 2cra h ARG 49 Ca 0.45 -0.13 0.02 0.00 -1.10 0.00 0.00 59.98 59.22 2cra h ARG 49 Cb 0.55 -0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 29.07 2cra h ARG 49 CO -0.32 0.61 -0.45 1.96 2.80 0.00 0.00 179.97 184.58 2cra h GLN 50 N 0.05 -0.66 -0.78 0.20 4.20 -1.73 -0.93 115.11 115.45 2cra h GLN 50 Ca 0.04 0.04 0.14 0.00 0.06 0.00 0.00 58.65 58.94 2cra h GLN 50 Cb 0.49 0.15 -0.09 0.00 0.30 0.00 0.00 27.48 28.32 2cra h GLN 50 CO 0.02 -0.44 0.34 0.82 -0.67 0.00 0.00 178.83 178.90 2cra h ILE 51 N -0.68 0.68 -0.29 2.54 2.04 -1.34 -1.35 117.51 119.10 2cra h ILE 51 Ca 0.01 -0.17 0.03 0.00 1.00 0.00 0.00 64.86 65.74 2cra h ILE 51 Cb 0.70 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 2cra h ILE 51 CO -0.25 0.09 0.09 0.74 0.00 0.00 0.00 178.15 178.81 2cra h THR 52 N 0.49 0.90 -0.39 -0.27 2.02 -1.00 -2.07 112.91 112.59 2cra h THR 52 Ca 0.43 -0.07 0.08 0.00 0.77 0.00 0.00 66.41 67.61 2cra h THR 52 Cb 0.63 0.67 -0.08 0.00 -1.74 0.00 0.00 68.15 67.64 2cra h THR 52 CO -0.39 0.04 -0.13 0.40 0.37 0.00 0.00 175.52 175.81 2cra h ILE 53 N 0.21 0.55 -0.42 3.11 2.04 -0.05 0.36 117.51 123.31 2cra h ILE 53 Ca 0.13 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.04 2cra h ILE 53 Cb 0.11 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 2cra h ILE 53 CO -0.15 0.00 0.16 -0.25 0.00 0.00 0.00 178.15 177.91 2cra h TRP 54 N -0.04 0.29 0.00 1.37 7.01 -1.13 0.22 115.95 123.67 2cra h TRP 54 Ca 0.19 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.19 2cra h TRP 54 Cb 0.33 -0.07 -0.00 0.00 -2.10 0.00 0.00 29.16 27.31 2cra h TRP 54 CO -0.37 0.12 -0.11 0.74 -2.79 0.00 0.00 178.44 176.04 2cra h PHE 55 N 0.34 0.00 0.09 2.65 -1.00 -0.62 -1.79 116.94 116.61 2cra h PHE 55 Ca 0.19 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.97 2cra h PHE 55 Cb 0.16 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.72 2cra h PHE 55 CO -0.14 0.11 -0.05 1.96 -1.61 0.00 0.00 178.31 178.58 2cra h GLN 56 N 0.00 -0.12 -0.01 1.51 4.20 0.45 -3.16 115.11 117.98 2cra h GLN 56 Ca -0.00 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2cra h GLN 56 Cb 0.21 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 2cra h GLN 56 CO 0.01 0.39 0.03 -0.91 -0.67 0.00 0.00 178.83 177.68 2cra h ASN 57 N -0.89 0.00 -0.08 1.46 2.35 -0.87 0.15 115.58 117.71 2cra h ASN 57 Ca -0.01 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.70 2cra h ASN 57 Cb 0.56 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.93 2cra h ASN 57 CO 0.02 0.00 -0.09 0.03 -1.65 0.00 0.00 177.43 175.74 2cra h ARG 58 N 0.00 0.20 0.06 0.81 2.47 -1.34 -2.45 114.38 114.13 2cra h ARG 58 Ca 0.00 -0.11 -0.08 0.00 -1.26 0.00 0.00 59.98 58.53 2cra h ARG 58 Cb 0.07 0.01 0.01 0.00 -1.65 0.00 0.00 29.97 28.41 2cra h ARG 58 CO -0.00 0.65 -0.35 0.00 0.56 0.00 0.00 179.97 180.83 2cra h ARG 59 N -0.25 0.13 -0.31 0.04 3.08 -1.34 -3.28 114.38 112.45 2cra h ARG 59 Ca 0.01 -0.22 0.09 0.00 0.07 0.00 0.00 59.98 59.93 2cra h ARG 59 Cb 0.63 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 2cra h ARG 59 CO 0.02 1.10 0.32 0.28 -1.07 0.00 0.00 179.97 180.62 2cra h VAL 60 N -0.72 0.47 -0.60 2.04 2.07 -0.86 -0.29 116.25 118.37 2cra h VAL 60 Ca -0.06 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.63 2cra h VAL 60 Cb 1.27 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 2cra h VAL 60 CO 0.07 0.00 0.46 0.50 0.02 0.00 0.00 177.57 178.62 2cra h LYS 61 N 0.00 0.00 -0.39 1.57 3.64 -1.50 0.29 116.57 120.18 2cra h LYS 61 Ca 0.15 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.34 2cra h LYS 61 Cb 0.78 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.49 2cra h LYS 61 CO -0.00 0.00 -0.01 -0.85 -2.27 0.00 0.00 179.45 176.31 2cra n GLU 62 N -4.20 1.99 0.00 1.90 0.28 -0.12 -4.56 120.64 115.94 2cra n GLU 62 Ca 0.11 -3.14 0.00 0.00 -0.16 0.00 0.00 57.16 53.98 2cra n GLU 62 Cb 0.70 -1.85 0.00 0.00 1.43 0.00 0.00 31.44 31.72 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 -1.06 0.00 -4.41 3.44 4.76 0.82 -5.06 118.16 116.65 2cra n LYS 63 Ca 0.34 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.44 2cra n LYS 63 Cb 1.07 -0.63 -0.12 0.00 -1.84 0.00 0.00 35.03 33.52 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 -1.45 3.57 0.40 1.97 2.36 -0.09 -5.10 119.74 121.40 2cra s LYS 64 Ca 0.00 -0.51 0.08 0.00 -2.55 0.00 0.00 55.97 52.99 2cra s LYS 64 Cb 0.00 -2.89 -0.05 0.00 -1.05 0.00 0.00 37.83 33.84 2cra s LYS 64 CO 0.00 0.30 0.19 0.45 1.55 0.00 0.00 175.35 177.84 2cra s SER 65 N 0.19 4.53 0.00 1.43 0.15 -1.26 -4.78 113.70 113.95 2cra s SER 65 Ca -0.02 -0.98 0.00 0.00 0.70 0.00 0.00 55.95 55.65 2cra s SER 65 Cb -0.14 -0.54 0.00 0.00 -1.71 0.00 0.00 66.02 63.64 2cra s SER 65 CO 0.03 -0.50 0.00 0.61 1.20 0.00 0.00 173.24 174.58 2cra n GLY 66 N -1.24 0.81 3.58 9.45 0.00 -1.26 -5.12 105.19 111.41 2cra n GLY 66 Ca -0.01 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.80 -1.41 0.02 1.61 0.04 -1.26 -5.10 135.00 127.11 2cra s PRO 67 Ca 0.00 -0.13 -0.14 0.00 0.04 0.00 0.00 61.00 60.77 2cra s PRO 67 Cb 0.00 -1.58 0.02 0.00 0.04 0.00 0.00 34.50 32.98 2cra s PRO 67 CO 0.00 -3.82 0.30 -1.12 0.04 0.00 0.00 177.00 172.39 2cra s SER 68 N -3.94 -0.14 -0.14 6.66 0.01 -1.26 -5.16 113.70 109.74 2cra s SER 68 Ca 0.71 -0.09 0.02 0.00 1.31 0.00 0.00 55.95 57.91 2cra s SER 68 Cb -0.09 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.48 2cra s SER 68 CO 0.56 -0.54 -0.20 -0.55 0.41 0.00 0.00 173.24 172.92 2cra s SER 69 N -1.76 3.31 0.00 2.44 0.15 -1.26 -5.35 113.70 111.23 2cra s SER 69 Ca -0.09 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.02 2cra s SER 69 Cb -0.03 -1.48 0.00 0.00 -1.71 0.00 0.00 66.02 62.80 2cra s SER 69 CO -0.00 0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.15