#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 -0.05 -0.82 1.61 1.04 -1.26 -5.10 113.70 109.13 2cra s SER 2 Ca 0.00 0.76 -0.04 0.00 0.48 0.00 0.00 55.95 57.14 2cra s SER 2 Cb 0.00 0.88 0.21 0.00 0.10 0.00 0.00 66.02 67.20 2cra s SER 2 CO 0.00 -0.22 0.70 -0.44 0.98 0.00 0.00 173.24 174.25 2cra s SER 3 N 2.18 5.94 0.00 7.02 0.01 -1.26 -4.88 113.70 122.71 2cra s SER 3 Ca -0.03 -3.31 0.00 0.00 1.31 0.00 0.00 55.95 53.92 2cra s SER 3 Cb -0.11 -1.95 0.00 0.00 0.21 0.00 0.00 66.02 64.17 2cra s SER 3 CO -0.10 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 173.86 2cra n GLY 4 N 2.92 1.48 3.12 3.44 0.00 -1.26 -5.06 105.19 109.83 2cra n GLY 4 Ca 0.16 -0.98 -0.36 0.00 0.00 0.00 0.00 46.02 44.84 2cra n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cra s SER 5 N 0.00 5.24 0.45 1.61 0.01 -1.26 -4.94 113.70 114.81 2cra s SER 5 Ca 0.00 -2.05 0.13 0.00 1.31 0.00 0.00 55.95 55.34 2cra s SER 5 Cb 0.00 -1.82 1.03 0.00 0.21 0.00 0.00 66.02 65.43 2cra s SER 5 CO 0.00 -0.54 2.04 0.28 0.41 0.00 0.00 173.24 175.43 2cra h SER 6 N 8.02 0.11 -4.46 2.44 0.02 -2.04 -3.45 113.55 114.19 2cra h SER 6 Ca -0.12 -0.01 0.09 0.00 -0.84 0.00 0.00 61.79 60.90 2cra h SER 6 Cb 1.04 -0.03 -0.18 0.00 0.14 0.00 0.00 62.40 63.37 2cra h SER 6 CO 0.69 0.18 0.50 -0.83 -1.14 0.00 0.00 176.83 176.24 2cra s GLY 7 N -4.05 -0.39 -0.40 -3.77 0.00 -1.26 -5.03 107.32 92.41 2cra s GLY 7 Ca -0.05 1.43 0.06 0.00 0.00 0.00 0.00 44.72 46.16 2cra s GLY 7 CO 0.70 0.64 1.83 -2.13 0.00 0.00 0.00 173.10 174.14 2cra n ARG 8 N 0.20 2.45 -0.83 2.90 3.00 -1.26 -4.46 116.66 118.65 2cra n ARG 8 Ca -0.10 -3.05 -0.05 0.00 -0.00 0.00 0.00 57.85 54.66 2cra n ARG 8 Cb 0.60 -2.13 0.25 0.00 0.00 0.00 0.00 32.46 31.19 2cra n ARG 8 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2cra n LYS 9 N -0.97 3.28 -0.31 -0.14 4.76 -1.26 -4.95 118.16 118.56 2cra n LYS 9 Ca 0.52 -2.49 -0.08 0.00 -2.87 0.00 0.00 58.31 53.39 2cra n LYS 9 Cb 1.52 -2.05 0.06 0.00 -1.84 0.00 0.00 35.03 32.73 2cra n LYS 9 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2cra n LYS 10 N -0.04 -1.39 -3.99 1.97 4.76 -1.26 -5.10 118.16 113.11 2cra n LYS 10 Ca 0.33 -0.48 -0.17 0.00 -2.87 0.00 0.00 58.31 55.13 2cra n LYS 10 Cb 1.19 -0.42 -0.06 0.00 -1.84 0.00 0.00 35.03 33.91 2cra n LYS 10 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2cra n ARG 11 N -2.29 0.48 -1.63 1.97 1.74 -1.26 -5.12 116.66 110.55 2cra n ARG 11 Ca 0.04 -2.93 -0.46 0.00 -0.77 0.00 0.00 57.85 53.73 2cra n ARG 11 Cb 0.16 2.54 -0.03 0.00 -1.02 0.00 0.00 32.46 34.11 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 -0.57 1.06 -1.01 0.55 2.08 -1.26 -4.99 119.36 115.22 2cra n ILE 12 Ca 0.05 -0.26 0.00 0.00 0.56 0.00 0.00 62.75 63.09 2cra n ILE 12 Cb 0.56 -1.20 0.00 0.00 -0.75 0.00 0.00 39.64 38.25 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 1.76 0.02 -2.08 0.38 -0.04 -1.26 -4.93 135.00 128.85 2cra n PRO 13 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2cra n PRO 13 Cb 0.29 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.75 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 -1.98 -3.90 -1.19 0.54 4.01 -1.26 -4.98 117.16 108.40 2cra n TYR 14 Ca 0.00 2.32 -0.29 0.00 -0.16 0.00 0.00 57.90 59.77 2cra n TYR 14 Cb 0.00 -3.49 0.16 0.00 -0.31 0.00 0.00 39.34 35.70 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 3.03 0.30 7.72 0.15 -1.26 -4.62 113.70 118.54 2cra s SER 15 Ca 0.00 1.33 0.04 0.00 0.70 0.00 0.00 55.95 58.02 2cra s SER 15 Cb 0.00 -2.01 0.66 0.00 -1.71 0.00 0.00 66.02 62.97 2cra s SER 15 CO 0.00 -2.89 1.82 0.50 1.20 0.00 0.00 173.24 173.87 2cra h LYS 16 N -1.73 0.85 -0.35 5.44 3.64 -1.98 0.13 116.57 122.58 2cra h LYS 16 Ca -0.52 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 58.69 2cra h LYS 16 Cb 1.31 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 2cra h LYS 16 CO 0.56 0.56 -0.28 0.78 -2.27 0.00 0.00 179.45 178.80 2cra h GLY 17 N 0.87 0.78 0.72 5.01 0.00 -1.99 -0.59 103.07 107.88 2cra h GLY 17 Ca 0.52 -0.70 -0.09 0.00 0.00 0.00 0.00 47.33 47.06 2cra h GLY 17 CO -0.29 0.64 -0.28 1.46 0.00 0.00 0.00 176.54 178.07 2cra h GLN 18 N 0.62 0.37 0.00 4.80 4.20 -1.47 -3.16 115.11 120.47 2cra h GLN 18 Ca 0.08 -0.26 -0.05 0.00 0.06 0.00 0.00 58.65 58.47 2cra h GLN 18 Cb 0.79 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 2cra h GLN 18 CO 0.07 0.87 -0.25 -0.07 -0.67 0.00 0.00 178.83 178.78 2cra h LEU 19 N -0.08 0.00 -1.49 1.46 3.38 -0.81 -2.83 115.31 114.94 2cra h LEU 19 Ca -0.01 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.08 2cra h LEU 19 Cb 0.89 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.59 2cra h LEU 19 CO 0.06 0.25 0.49 -0.09 0.09 0.00 0.00 178.44 179.24 2cra h ARG 20 N 0.00 0.52 0.15 1.13 1.12 -1.06 0.24 114.38 116.49 2cra h ARG 20 Ca -0.00 -0.03 -0.33 0.00 -1.11 0.00 0.00 59.98 58.51 2cra h ARG 20 Cb 0.62 -0.12 0.00 0.00 -0.01 0.00 0.00 29.97 30.46 2cra h ARG 20 CO 0.03 0.35 -1.62 0.93 -3.11 0.00 0.00 179.97 176.55 2cra h GLU 21 N 0.54 0.31 0.39 0.20 4.39 -1.60 -3.12 114.58 115.70 2cra h GLU 21 Ca 0.35 -0.54 -0.02 0.00 0.34 0.00 0.00 59.36 59.50 2cra h GLU 21 Cb 0.63 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 2cra h GLU 21 CO -0.12 1.20 -0.19 -0.07 -1.16 0.00 0.00 179.01 178.67 2cra h LEU 22 N 0.09 -0.45 -0.65 1.33 3.38 -1.24 -0.21 115.31 117.56 2cra h LEU 22 Ca -0.28 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 57.64 2cra h LEU 22 Cb 2.06 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 42.87 2cra h LEU 22 CO 0.17 -0.16 0.36 -0.33 0.09 0.00 0.00 178.44 178.58 2cra h GLU 23 N -0.75 0.66 0.54 1.13 5.08 -0.72 0.22 114.58 120.74 2cra h GLU 23 Ca -0.05 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 2cra h GLU 23 Cb 0.52 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.62 2cra h GLU 23 CO 0.09 0.44 -0.26 0.00 -1.00 0.00 0.00 179.01 178.28 2cra h ARG 24 N 0.68 -0.70 -0.25 2.33 3.08 -1.50 0.25 114.38 118.27 2cra h ARG 24 Ca 0.29 0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.41 2cra h ARG 24 Cb 0.16 0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 2cra h ARG 24 CO -0.17 -0.44 0.09 0.93 -1.07 0.00 0.00 179.97 179.31 2cra h GLU 25 N -0.78 0.20 -0.14 0.04 3.07 -0.81 -2.21 114.58 113.95 2cra h GLU 25 Ca -0.07 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 2cra h GLU 25 Cb 0.58 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.44 2cra h GLU 25 CO 0.12 0.13 0.08 -0.92 -1.40 0.00 0.00 179.01 177.03 2cra h TYR 26 N 0.21 0.16 -0.45 4.33 3.20 -0.50 -0.59 116.97 123.33 2cra h TYR 26 Ca 0.11 0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.11 2cra h TYR 26 Cb 0.07 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 2cra h TYR 26 CO -0.12 0.10 0.37 0.00 -1.64 0.00 0.00 178.16 176.87 2cra h ALA 27 N 1.06 2.29 0.06 1.82 0.00 -0.24 0.21 119.26 124.46 2cra h ALA 27 Ca 0.05 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.67 2cra h ALA 27 Cb -0.01 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2cra h ALA 27 CO -0.02 -0.60 -1.43 0.00 0.00 0.00 0.00 179.25 177.20 2cra h ALA 28 N 1.68 0.40 -2.28 0.00 0.00 -0.70 -3.47 119.26 114.88 2cra h ALA 28 Ca 0.21 -1.13 -0.05 0.00 0.00 0.00 0.00 54.91 53.94 2cra h ALA 28 Cb 0.95 0.21 -0.23 0.00 0.00 0.00 0.00 17.79 18.72 2cra h ALA 28 CO -0.00 1.26 -0.08 0.54 0.00 0.00 0.00 179.25 180.97 2cra s ASN 29 N -6.73 -0.72 0.18 0.00 2.20 0.06 -5.05 114.94 104.89 2cra s ASN 29 Ca -0.05 1.24 -0.10 0.00 -0.94 0.00 0.00 52.86 53.01 2cra s ASN 29 Cb 0.08 1.16 0.08 0.00 -2.00 0.00 0.00 41.25 40.57 2cra s ASN 29 CO 0.84 -0.22 1.67 0.11 -2.94 0.00 0.00 177.10 176.56 2cra h LYS 30 N 6.45 1.06 -5.11 3.55 1.79 -1.85 -3.35 116.57 119.10 2cra h LYS 30 Ca -0.31 -0.29 -0.66 0.00 -2.18 0.00 0.00 60.65 57.20 2cra h LYS 30 Cb 1.20 -0.12 -0.30 0.00 -1.58 0.00 0.00 32.23 31.43 2cra h LYS 30 CO 0.19 0.99 -0.78 -0.06 -1.08 0.00 0.00 179.45 178.71 2cra s PHE 31 N -5.17 2.85 0.63 -1.35 0.08 -1.26 -4.96 117.98 108.80 2cra s PHE 31 Ca -0.12 -1.07 0.01 0.00 0.12 0.00 0.00 56.93 55.86 2cra s PHE 31 Cb 0.14 -1.97 0.08 0.00 -0.57 0.00 0.00 43.02 40.70 2cra s PHE 31 CO 0.84 -0.53 0.88 0.96 -0.10 0.00 0.00 175.22 177.27 2cra s ILE 32 N 1.08 2.40 0.25 0.64 -4.36 -1.26 -5.12 121.20 114.83 2cra s ILE 32 Ca 0.00 -0.64 0.08 0.00 -0.26 0.00 0.00 60.65 59.84 2cra s ILE 32 Cb -0.15 -2.76 -0.04 0.00 1.25 0.00 0.00 42.46 40.76 2cra s ILE 32 CO -0.03 0.00 0.09 0.28 0.24 0.00 0.00 174.94 175.52 2cra s THR 33 N -2.94 3.96 0.29 8.37 -1.32 -1.26 -4.96 115.64 117.78 2cra s THR 33 Ca 0.62 -1.62 0.04 0.00 -1.21 0.00 0.00 61.69 59.52 2cra s THR 33 Cb -0.08 -3.12 0.29 0.00 -1.51 0.00 0.00 72.50 68.08 2cra s THR 33 CO 0.41 -0.34 1.78 0.11 -2.21 0.00 0.00 174.62 174.37 2cra h LYS 34 N 1.77 0.73 -0.17 7.08 1.57 -1.99 0.31 116.57 125.87 2cra h LYS 34 Ca -0.46 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.22 2cra h LYS 34 Cb 1.24 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 2cra h LYS 34 CO 0.60 0.48 -0.13 -0.44 -0.57 0.00 0.00 179.45 179.39 2cra h ASP 35 N 0.75 0.25 0.01 0.86 5.19 -2.00 -1.89 116.42 119.60 2cra h ASP 35 Ca 0.56 -0.05 -0.00 0.00 -0.62 0.00 0.00 57.03 56.91 2cra h ASP 35 Cb 0.84 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.28 2cra h ASP 35 CO -0.38 0.42 -0.00 0.50 -3.12 0.00 0.00 179.24 176.66 2cra h LYS 36 N 0.25 -0.01 -0.22 3.56 1.63 -0.89 -3.24 116.57 117.66 2cra h LYS 36 Ca 0.05 0.00 0.06 0.00 -0.85 0.00 0.00 60.65 59.92 2cra h LYS 36 Cb 0.40 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.02 2cra h LYS 36 CO 0.02 0.76 0.17 -0.09 -3.45 0.00 0.00 179.45 176.87 2cra h ARG 37 N -0.81 0.00 -0.23 1.90 2.43 -0.87 -0.08 114.38 116.73 2cra h ARG 37 Ca -0.00 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.08 2cra h ARG 37 Cb 0.78 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 2cra h ARG 37 CO 0.00 0.00 -0.22 0.00 -1.51 0.00 0.00 179.97 178.24 2cra h ARG 38 N 0.00 0.42 0.04 0.20 3.08 -1.38 -2.21 114.38 114.53 2cra h ARG 38 Ca 0.11 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 2cra h ARG 38 Cb 0.45 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.47 2cra h ARG 38 CO -0.00 0.62 -0.22 0.87 -1.07 0.00 0.00 179.97 180.17 2cra h LYS 39 N 0.38 0.08 -0.87 0.04 1.79 -1.07 -3.26 116.57 113.67 2cra h LYS 39 Ca 0.06 -0.14 0.15 0.00 -2.18 0.00 0.00 60.65 58.54 2cra h LYS 39 Cb 0.60 0.05 -0.07 0.00 -1.58 0.00 0.00 32.23 31.24 2cra h LYS 39 CO 0.04 1.06 0.56 0.82 -1.08 0.00 0.00 179.45 180.85 2cra h ILE 40 N -0.82 0.81 0.00 1.86 2.04 -1.30 0.28 117.51 120.38 2cra h ILE 40 Ca -0.04 -0.21 -0.05 0.00 1.00 0.00 0.00 64.86 65.56 2cra h ILE 40 Cb 1.17 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 2cra h ILE 40 CO 0.04 0.11 -0.24 -1.28 0.00 0.00 0.00 178.15 176.78 2cra h SER 41 N 0.61 0.00 0.41 1.72 0.87 -1.49 0.81 113.55 116.48 2cra h SER 41 Ca 0.44 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.68 2cra h SER 41 Cb 0.80 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.75 2cra h SER 41 CO -0.19 0.24 -1.58 0.00 -0.53 0.00 0.00 176.83 174.77 2cra h ALA 42 N 1.76 0.28 0.17 6.23 0.00 -0.57 -1.78 119.26 125.35 2cra h ALA 42 Ca -0.00 -1.14 -0.01 0.00 0.00 0.00 0.00 54.91 53.76 2cra h ALA 42 Cb 0.54 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2cra h ALA 42 CO 0.03 1.15 -0.08 0.00 0.00 0.00 0.00 179.25 180.35 2cra h ALA 43 N 0.45 -0.23 0.00 0.00 0.00 -0.85 -3.30 119.26 115.34 2cra h ALA 43 Ca -0.26 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2cra h ALA 43 Cb 2.03 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.90 2cra h ALA 43 CO 0.16 -0.24 0.00 0.25 0.00 0.00 0.00 179.25 179.42 2cra n THR 44 N -4.91 0.19 -2.59 0.00 -2.24 0.26 -4.89 114.28 100.09 2cra n THR 44 Ca -0.05 0.05 -0.18 0.00 -2.27 0.00 0.00 64.05 61.60 2cra n THR 44 Cb 0.18 -0.60 0.01 0.00 -2.10 0.00 0.00 70.33 67.82 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 -1.44 -5.25 -4.91 3.42 7.64 -0.75 -4.85 113.62 107.48 2cra n SER 45 Ca 0.08 -0.12 -0.23 0.00 1.01 0.00 0.00 58.87 59.61 2cra n SER 45 Cb 0.28 -4.22 0.03 0.00 -1.01 0.00 0.00 64.21 59.29 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 -2.93 0.00 -4.93 -3.43 4.77 -0.75 -4.98 117.00 104.76 2cra n LEU 46 Ca -0.16 -2.72 -0.30 0.00 -0.03 0.00 0.00 56.01 52.81 2cra n LEU 46 Cb 0.63 -0.23 -0.04 0.00 -2.33 0.00 0.00 43.42 41.46 2cra n LEU 46 CO 0.31 -0.65 -0.13 -0.55 -1.33 0.00 0.00 177.39 175.04 2cra s SER 47 N -4.44 6.36 0.37 -1.43 0.15 -1.26 -4.42 113.70 109.03 2cra s SER 47 Ca 0.46 0.25 0.13 0.00 0.70 0.00 0.00 55.95 57.48 2cra s SER 47 Cb -0.04 -1.95 0.94 0.00 -1.71 0.00 0.00 66.02 63.26 2cra s SER 47 CO 0.29 0.14 1.83 -0.33 1.20 0.00 0.00 173.24 176.37 2cra h GLU 48 N 2.83 0.55 -0.05 5.44 5.08 -1.96 -0.95 114.58 125.51 2cra h GLU 48 Ca -0.46 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 57.80 2cra h GLU 48 Cb 1.17 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2cra h GLU 48 CO 0.74 0.36 -0.21 -0.09 -1.00 0.00 0.00 179.01 178.81 2cra h ARG 49 N 0.56 0.24 -0.14 2.33 9.65 -1.97 -3.05 114.38 122.00 2cra h ARG 49 Ca 0.50 -0.18 0.05 0.00 -1.10 0.00 0.00 59.98 59.25 2cra h ARG 49 Cb 1.03 0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 29.59 2cra h ARG 49 CO -0.24 0.83 -0.20 1.96 2.80 0.00 0.00 179.97 185.11 2cra h GLN 50 N -0.30 -0.24 -0.81 0.20 4.20 -1.65 -0.28 115.11 116.22 2cra h GLN 50 Ca -0.01 0.02 0.14 0.00 0.06 0.00 0.00 58.65 58.85 2cra h GLN 50 Cb 0.86 0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.64 2cra h GLN 50 CO 0.04 -0.16 0.53 0.82 -0.67 0.00 0.00 178.83 179.39 2cra h ILE 51 N -0.25 0.84 -0.16 2.54 2.04 -1.31 -1.66 117.51 119.55 2cra h ILE 51 Ca 0.10 -0.20 -0.05 0.00 1.00 0.00 0.00 64.86 65.72 2cra h ILE 51 Cb 0.41 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 2cra h ILE 51 CO -0.29 0.10 -0.10 0.74 0.00 0.00 0.00 178.15 178.60 2cra h THR 52 N 0.57 1.33 -0.53 -0.27 2.02 -1.06 -2.72 112.91 112.24 2cra h THR 52 Ca 0.40 -1.20 0.10 0.00 0.77 0.00 0.00 66.41 66.49 2cra h THR 52 Cb 0.73 1.78 -0.09 0.00 -1.74 0.00 0.00 68.15 68.83 2cra h THR 52 CO -0.16 0.35 0.00 0.40 0.37 0.00 0.00 175.52 176.49 2cra h ILE 53 N 0.00 0.58 0.28 3.11 2.04 -0.16 -0.07 117.51 123.30 2cra h ILE 53 Ca 0.03 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 2cra h ILE 53 Cb 0.60 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 2cra h ILE 53 CO 0.03 0.02 -0.14 -0.25 0.00 0.00 0.00 178.15 177.82 2cra h TRP 54 N 0.12 -0.35 -0.78 1.37 7.01 -1.47 0.13 115.95 121.97 2cra h TRP 54 Ca 0.27 -0.01 0.16 0.00 2.11 0.00 0.00 58.89 61.42 2cra h TRP 54 Cb 0.41 0.12 -0.05 0.00 -2.10 0.00 0.00 29.16 27.54 2cra h TRP 54 CO -0.33 -0.22 0.52 0.74 -2.79 0.00 0.00 178.44 176.37 2cra h PHE 55 N -0.38 0.50 -0.01 2.65 -1.00 -1.07 0.03 116.94 117.67 2cra h PHE 55 Ca -0.04 0.01 -0.13 0.00 2.81 0.00 0.00 57.97 60.63 2cra h PHE 55 Cb 0.29 -0.16 0.01 0.00 3.61 0.00 0.00 35.95 39.70 2cra h PHE 55 CO -0.06 0.18 -0.50 1.96 -1.61 0.00 0.00 178.31 178.29 2cra h GLN 56 N 0.42 0.35 0.00 1.51 1.08 -0.50 -2.85 115.11 115.11 2cra h GLN 56 Ca 0.39 -0.37 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 2cra h GLN 56 Cb 0.90 0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 28.43 2cra h GLN 56 CO -0.13 1.05 -0.07 -0.91 -0.95 0.00 0.00 178.83 177.82 2cra h ASN 57 N -0.21 0.00 0.05 1.46 -0.26 0.26 0.19 115.58 117.07 2cra h ASN 57 Ca -0.06 0.00 -0.26 0.00 -0.56 0.00 0.00 56.30 55.42 2cra h ASN 57 Cb 1.22 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 38.50 2cra h ASN 57 CO 0.10 0.07 -1.05 0.03 -1.06 0.00 0.00 177.43 175.51 2cra h ARG 58 N 0.00 0.63 0.03 0.81 2.47 -1.03 -3.04 114.38 114.25 2cra h ARG 58 Ca -0.00 -0.74 -0.00 0.00 -1.26 0.00 0.00 59.98 57.97 2cra h ARG 58 Cb 0.15 0.23 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 2cra h ARG 58 CO 0.01 1.32 -0.02 0.00 0.56 0.00 0.00 179.97 181.84 2cra h ARG 59 N 0.27 -0.04 -0.83 0.04 3.08 -1.17 -3.25 114.38 112.48 2cra h ARG 59 Ca -0.14 0.00 0.24 0.00 0.07 0.00 0.00 59.98 60.15 2cra h ARG 59 Cb 1.73 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.75 2cra h ARG 59 CO 0.21 0.63 0.60 0.28 -1.07 0.00 0.00 179.97 180.62 2cra h VAL 60 N -0.83 0.59 0.45 2.04 2.07 -0.79 -1.57 116.25 118.21 2cra h VAL 60 Ca -0.00 -0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 2cra h VAL 60 Cb 0.70 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 2cra h VAL 60 CO 0.01 0.00 -0.42 0.50 0.02 0.00 0.00 177.57 177.68 2cra h LYS 61 N 0.01 -0.84 0.00 1.57 3.64 -1.56 0.29 116.57 119.67 2cra h LYS 61 Ca 0.40 0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.75 2cra h LYS 61 Cb 1.58 0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 33.58 2cra h LYS 61 CO -0.01 -0.56 -0.38 1.05 -2.27 0.00 0.00 179.45 177.29 2cra h GLU 62 N -0.87 0.00 -0.62 1.90 4.11 -1.45 -2.84 114.58 114.81 2cra h GLU 62 Ca -0.04 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.32 2cra h GLU 62 Cb 0.76 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 2cra h GLU 62 CO -0.05 0.38 0.14 0.87 0.07 0.00 0.00 179.01 180.42 2cra h LYS 63 N 0.00 0.98 -6.95 1.06 1.79 -0.83 -3.44 116.57 109.18 2cra h LYS 63 Ca -0.00 -0.22 -0.46 0.00 -2.18 0.00 0.00 60.65 57.79 2cra h LYS 63 Cb 0.68 -0.13 0.05 0.00 -1.58 0.00 0.00 32.23 31.24 2cra h LYS 63 CO 0.05 0.88 0.05 0.21 -1.08 0.00 0.00 179.45 179.56 2cra s LYS 64 N -5.24 2.72 -0.05 3.15 2.20 0.05 -5.03 119.74 117.54 2cra s LYS 64 Ca -0.11 -0.41 0.06 0.00 -0.36 0.00 0.00 55.97 55.15 2cra s LYS 64 Cb 0.15 -2.39 -0.09 0.00 -1.51 0.00 0.00 37.83 33.99 2cra s LYS 64 CO 0.82 -0.68 0.06 -1.13 -0.36 0.00 0.00 175.35 174.06 2cra n SER 65 N -2.44 3.40 -3.50 1.43 3.41 -1.26 -4.83 113.62 109.82 2cra n SER 65 Ca 0.05 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.40 2cra n SER 65 Cb 0.59 0.86 -0.09 0.00 -0.26 0.00 0.00 64.21 65.31 2cra n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cra n GLY 66 N 2.45 3.53 3.63 5.00 0.00 -1.26 -5.08 105.19 113.45 2cra n GLY 66 Ca -0.08 -2.11 -0.43 0.00 0.00 0.00 0.00 46.02 43.40 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 -1.31 3.85 -0.24 1.61 0.04 -1.26 -4.89 135.00 132.80 2cra s PRO 67 Ca 0.33 1.70 -0.16 0.00 0.04 0.00 0.00 61.00 62.92 2cra s PRO 67 Cb 0.07 -4.02 -0.10 0.00 0.04 0.00 0.00 34.50 30.49 2cra s PRO 67 CO -0.12 -1.23 -0.32 -1.13 0.04 0.00 0.00 177.00 174.24 2cra n SER 68 N 8.26 1.94 -3.50 6.66 3.41 -1.26 -5.03 113.62 124.10 2cra n SER 68 Ca 0.18 0.35 -0.18 0.00 -0.26 0.00 0.00 58.87 58.96 2cra n SER 68 Cb 0.45 -0.80 0.07 0.00 -0.26 0.00 0.00 64.21 63.67 2cra n SER 68 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2cra n SER 69 N -4.35 -2.23 0.00 4.04 7.64 -1.26 -5.32 113.62 112.14 2cra n SER 69 Ca -0.37 -0.70 0.00 0.00 1.01 0.00 0.00 58.87 58.81 2cra n SER 69 Cb 0.72 -4.77 0.00 0.00 -1.01 0.00 0.00 64.21 59.16 2cra n SER 69 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64