#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 -0.36 0.46 1.61 1.04 -1.26 -5.15 113.70 110.04 2cra s SER 2 Ca 0.00 0.65 -0.24 0.00 0.48 0.00 0.00 55.95 56.84 2cra s SER 2 Cb 0.00 0.69 -0.08 0.00 0.10 0.00 0.00 66.02 66.74 2cra s SER 2 CO 0.00 -0.19 1.35 -0.44 0.98 0.00 0.00 173.24 174.95 2cra s SER 3 N -0.05 5.89 0.00 7.02 0.01 -1.26 -4.92 113.70 120.39 2cra s SER 3 Ca -0.02 2.76 0.00 0.00 1.31 0.00 0.00 55.95 60.00 2cra s SER 3 Cb -0.03 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.56 2cra s SER 3 CO 0.01 -1.15 0.00 0.61 0.41 0.00 0.00 173.24 173.12 2cra n GLY 4 N 0.63 0.13 3.55 3.44 0.00 -1.26 -5.03 105.19 106.64 2cra n GLY 4 Ca 0.06 -1.81 -0.26 0.00 0.00 0.00 0.00 46.02 44.01 2cra n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cra n SER 5 N 3.00 -4.39 -3.73 1.61 3.41 -1.26 -4.95 113.62 107.31 2cra n SER 5 Ca 0.00 -0.54 -0.16 0.00 -0.26 0.00 0.00 58.87 57.91 2cra n SER 5 Cb 0.00 -3.57 -0.16 0.00 -0.26 0.00 0.00 64.21 60.22 2cra n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2cra s SER 6 N -2.93 0.39 0.00 4.04 0.01 -1.26 -5.13 113.70 108.82 2cra s SER 6 Ca 0.49 0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.90 2cra s SER 6 Cb -0.25 0.02 0.00 0.00 0.21 0.00 0.00 66.02 65.99 2cra s SER 6 CO 0.61 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.69 2cra n GLY 7 N 4.63 1.26 3.56 3.44 0.00 -1.26 -5.08 105.19 111.74 2cra n GLY 7 Ca -0.18 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.51 2.45 -0.12 1.61 3.52 -1.26 -4.84 118.95 118.80 2cra s ARG 8 Ca 0.00 0.27 -0.33 0.00 -0.13 0.00 0.00 55.73 55.54 2cra s ARG 8 Cb 0.00 -4.74 0.13 0.00 -1.56 0.00 0.00 34.95 28.78 2cra s ARG 8 CO 0.00 -3.23 1.15 0.21 -0.81 0.00 0.00 175.30 172.62 2cra s LYS 9 N 7.31 0.45 -0.41 5.12 2.47 -1.26 -5.10 119.74 128.33 2cra s LYS 9 Ca 0.73 -0.19 -0.28 0.00 -1.56 0.00 0.00 55.97 54.68 2cra s LYS 9 Cb -0.10 0.20 -0.07 0.00 -1.46 0.00 0.00 37.83 36.39 2cra s LYS 9 CO 0.10 -0.20 2.34 1.63 0.16 0.00 0.00 175.35 179.39 2cra n LYS 10 N -0.19 1.32 -3.95 4.03 4.01 -1.26 -4.83 118.16 117.30 2cra n LYS 10 Ca -0.03 0.21 -0.01 0.00 -0.51 0.00 0.00 58.31 57.98 2cra n LYS 10 Cb 0.60 -3.20 0.02 0.00 -0.51 0.00 0.00 35.03 31.94 2cra n LYS 10 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 2cra s ARG 11 N 7.46 0.92 0.26 1.97 3.52 -1.26 -5.14 118.95 126.68 2cra s ARG 11 Ca 1.02 -0.60 -0.30 0.00 -0.13 0.00 0.00 55.73 55.72 2cra s ARG 11 Cb -0.34 0.25 -0.10 0.00 -1.56 0.00 0.00 34.95 33.19 2cra s ARG 11 CO 0.32 -0.43 1.47 0.42 -0.81 0.00 0.00 175.30 176.27 2cra s ILE 12 N -2.05 2.54 0.01 4.11 -1.09 -1.26 -5.02 121.20 118.44 2cra s ILE 12 Ca 0.26 0.46 -0.00 0.00 -2.23 0.00 0.00 60.65 59.14 2cra s ILE 12 Cb -0.02 -3.29 0.00 0.00 -1.58 0.00 0.00 42.46 37.57 2cra s ILE 12 CO 0.03 0.07 0.01 -0.81 -1.23 0.00 0.00 174.94 173.02 2cra n PRO 13 N 2.22 -0.00 -2.04 2.79 -0.04 -1.26 -4.93 135.00 131.73 2cra n PRO 13 Ca 0.07 -0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 2cra n PRO 13 Cb 0.40 -0.01 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 -2.01 -3.94 -1.24 0.54 4.01 -1.26 -4.99 117.16 108.28 2cra n TYR 14 Ca 0.00 2.35 -0.29 0.00 -0.16 0.00 0.00 57.90 59.80 2cra n TYR 14 Cb 0.01 -3.48 0.18 0.00 -0.31 0.00 0.00 39.34 35.73 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 2.50 0.66 7.72 0.15 -1.26 -4.67 113.70 118.33 2cra s SER 15 Ca 0.00 1.04 0.43 0.00 0.70 0.00 0.00 55.95 58.11 2cra s SER 15 Cb 0.00 -1.62 2.35 0.00 -1.71 0.00 0.00 66.02 65.04 2cra s SER 15 CO 0.00 -3.19 2.35 0.50 1.20 0.00 0.00 173.24 174.11 2cra h LYS 16 N -1.93 0.00 0.02 5.44 3.64 -1.98 -0.02 116.57 121.74 2cra h LYS 16 Ca -0.53 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 58.59 2cra h LYS 16 Cb 1.33 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.11 2cra h LYS 16 CO 0.55 0.00 -1.39 0.78 -2.27 0.00 0.00 179.45 177.12 2cra h GLY 17 N 0.07 0.04 1.56 5.01 0.00 -2.00 -3.06 103.07 104.68 2cra h GLY 17 Ca -0.00 -0.10 -0.24 0.00 0.00 0.00 0.00 47.33 47.00 2cra h GLY 17 CO 0.00 0.09 -1.27 1.46 0.00 0.00 0.00 176.54 176.81 2cra h GLN 18 N 0.01 0.00 0.00 4.80 4.20 -1.58 -3.29 115.11 119.25 2cra h GLN 18 Ca -0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.54 2cra h GLN 18 Cb 1.91 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.69 2cra h GLN 18 CO 0.11 0.75 -0.03 -0.07 -0.67 0.00 0.00 178.83 178.92 2cra h LEU 19 N 0.00 0.00 -1.37 1.46 3.38 -1.18 -3.17 115.31 114.43 2cra h LEU 19 Ca -0.12 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 2cra h LEU 19 Cb 1.84 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.57 2cra h LEU 19 CO 0.10 0.00 0.11 -0.09 0.09 0.00 0.00 178.44 178.65 2cra h ARG 20 N 0.00 0.53 0.12 1.13 2.43 -1.60 0.17 114.38 117.16 2cra h ARG 20 Ca 0.00 -0.08 -0.34 0.00 -0.81 0.00 0.00 59.98 58.76 2cra h ARG 20 Cb 0.88 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 2cra h ARG 20 CO 0.00 0.48 -1.78 0.93 -1.51 0.00 0.00 179.97 178.09 2cra h GLU 21 N 0.52 0.25 -0.26 0.20 3.07 -1.74 -3.15 114.58 113.48 2cra h GLU 21 Ca 0.13 -0.42 -0.04 0.00 -0.50 0.00 0.00 59.36 58.52 2cra h GLU 21 Cb 0.17 0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 2cra h GLU 21 CO -0.01 1.10 0.00 -0.07 -1.40 0.00 0.00 179.01 178.63 2cra h LEU 22 N 0.07 0.45 -0.48 1.33 3.38 -1.49 -1.39 115.31 117.17 2cra h LEU 22 Ca -0.34 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.28 2cra h LEU 22 Cb 2.04 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 42.65 2cra h LEU 22 CO 0.13 0.65 0.13 -0.33 0.09 0.00 0.00 178.44 179.10 2cra h GLU 23 N 0.24 0.77 0.95 1.13 5.08 -0.82 -1.27 114.58 120.66 2cra h GLU 23 Ca 0.07 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 2cra h GLU 23 Cb 0.42 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.57 2cra h GLU 23 CO 0.01 0.74 -0.46 0.00 -1.00 0.00 0.00 179.01 178.30 2cra h ARG 24 N 0.66 -1.23 -0.90 2.33 3.08 -1.49 -0.58 114.38 116.24 2cra h ARG 24 Ca 0.15 0.08 0.16 0.00 0.07 0.00 0.00 59.98 60.45 2cra h ARG 24 Cb 0.31 0.28 -0.07 0.00 0.08 0.00 0.00 29.97 30.57 2cra h ARG 24 CO -0.00 -0.82 0.58 0.93 -1.07 0.00 0.00 179.97 179.59 2cra h GLU 25 N -1.33 0.63 -0.10 0.04 3.07 -1.28 -0.37 114.58 115.23 2cra h GLU 25 Ca -0.13 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.68 2cra h GLU 25 Cb 0.98 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.75 2cra h GLU 25 CO 0.22 0.41 0.03 -0.92 -1.40 0.00 0.00 179.01 177.34 2cra h TYR 26 N 0.64 0.17 0.00 4.33 3.20 -1.01 0.11 116.97 124.43 2cra h TYR 26 Ca 0.46 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.27 2cra h TYR 26 Cb 0.82 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.03 2cra h TYR 26 CO -0.00 0.34 -0.19 0.00 -1.64 0.00 0.00 178.16 176.67 2cra h ALA 27 N 0.82 1.54 0.00 1.82 0.00 -0.03 -2.34 119.26 121.06 2cra h ALA 27 Ca 0.03 -0.17 -0.22 0.00 0.00 0.00 0.00 54.91 54.55 2cra h ALA 27 Cb 0.25 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2cra h ALA 27 CO 0.00 0.23 -1.09 0.00 0.00 0.00 0.00 179.25 178.40 2cra h ALA 28 N 1.81 0.42 -1.15 0.00 0.00 -0.81 -3.45 119.26 116.08 2cra h ALA 28 Ca -0.00 -0.98 0.14 0.00 0.00 0.00 0.00 54.91 54.07 2cra h ALA 28 Cb 0.37 -0.07 -0.22 0.00 0.00 0.00 0.00 17.79 17.87 2cra h ALA 28 CO 0.02 1.28 -0.00 0.54 0.00 0.00 0.00 179.25 181.09 2cra s ASN 29 N -6.61 -0.90 0.56 0.00 2.20 0.37 -5.02 114.94 105.55 2cra s ASN 29 Ca 0.00 0.93 0.27 0.00 -0.94 0.00 0.00 52.86 53.12 2cra s ASN 29 Cb 0.10 1.90 1.50 0.00 -2.00 0.00 0.00 41.25 42.75 2cra s ASN 29 CO 0.82 -0.17 2.02 0.11 -2.94 0.00 0.00 177.10 176.94 2cra h LYS 30 N 7.84 0.00 -4.47 3.55 1.79 -1.76 -3.37 116.57 120.14 2cra h LYS 30 Ca -0.18 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.70 2cra h LYS 30 Cb 1.13 0.00 -0.37 0.00 -1.58 0.00 0.00 32.23 31.41 2cra h LYS 30 CO 0.10 0.00 -0.81 -0.06 -1.08 0.00 0.00 179.45 177.60 2cra s PHE 31 N -4.79 2.15 0.82 -1.35 0.08 -1.26 -4.94 117.98 108.68 2cra s PHE 31 Ca -0.05 -1.37 -0.09 0.00 0.12 0.00 0.00 56.93 55.55 2cra s PHE 31 Cb 0.17 -1.53 0.14 0.00 -0.57 0.00 0.00 43.02 41.23 2cra s PHE 31 CO 0.62 -0.69 1.14 0.96 -0.10 0.00 0.00 175.22 177.15 2cra s ILE 32 N 1.49 2.11 0.24 0.64 -4.36 -1.26 -5.10 121.20 114.95 2cra s ILE 32 Ca 0.01 -0.27 0.08 0.00 -0.26 0.00 0.00 60.65 60.21 2cra s ILE 32 Cb -0.15 -2.84 -0.04 0.00 1.25 0.00 0.00 42.46 40.67 2cra s ILE 32 CO -0.08 0.00 0.08 0.28 0.24 0.00 0.00 174.94 175.45 2cra s THR 33 N -3.48 3.91 0.48 8.37 -1.32 -1.26 -4.95 115.64 117.39 2cra s THR 33 Ca 0.68 -1.61 0.24 0.00 -1.21 0.00 0.00 61.69 59.79 2cra s THR 33 Cb -0.06 -3.08 0.43 0.00 -1.51 0.00 0.00 72.50 68.27 2cra s THR 33 CO 0.48 -0.32 1.87 0.11 -2.21 0.00 0.00 174.62 174.56 2cra h LYS 34 N 1.88 0.20 -0.15 7.08 1.57 -1.99 0.31 116.57 125.48 2cra h LYS 34 Ca -0.46 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.13 2cra h LYS 34 Cb 1.24 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.50 2cra h LYS 34 CO 0.60 0.13 -0.63 0.22 -0.57 0.00 0.00 179.45 179.21 2cra h ASP 35 N 0.21 0.60 -0.04 0.86 1.82 -2.01 -3.13 116.42 114.73 2cra h ASP 35 Ca 0.44 -0.35 -0.12 0.00 -0.39 0.00 0.00 57.03 56.61 2cra h ASP 35 Cb 1.41 -0.17 0.01 0.00 0.68 0.00 0.00 39.33 41.25 2cra h ASP 35 CO -0.10 1.08 -0.46 0.50 -1.61 0.00 0.00 179.24 178.65 2cra h LYS 36 N 0.39 0.38 -0.82 0.28 1.63 -0.91 -3.11 116.57 114.41 2cra h LYS 36 Ca -0.01 -0.36 0.23 0.00 -0.85 0.00 0.00 60.65 59.66 2cra h LYS 36 Cb 1.19 0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 32.87 2cra h LYS 36 CO 0.12 1.01 0.58 -0.09 -3.45 0.00 0.00 179.45 177.62 2cra h ARG 37 N -0.12 0.05 0.00 1.90 2.43 -0.84 0.22 114.38 118.02 2cra h ARG 37 Ca -0.05 -0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.88 2cra h ARG 37 Cb 1.14 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.69 2cra h ARG 37 CO 0.09 0.03 -0.98 0.00 -1.51 0.00 0.00 179.97 177.60 2cra h ARG 38 N 0.05 0.51 -0.20 0.20 3.08 -1.52 -2.82 114.38 113.68 2cra h ARG 38 Ca 0.39 -0.55 -0.08 0.00 0.07 0.00 0.00 59.98 59.80 2cra h ARG 38 Cb 1.48 0.16 -0.00 0.00 0.08 0.00 0.00 29.97 31.69 2cra h ARG 38 CO -0.03 1.19 -0.20 0.87 -1.07 0.00 0.00 179.97 180.73 2cra h LYS 39 N 0.29 0.50 -0.40 0.04 1.79 -0.60 -2.81 116.57 115.38 2cra h LYS 39 Ca -0.10 -0.26 -0.02 0.00 -2.18 0.00 0.00 60.65 58.09 2cra h LYS 39 Cb 1.63 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 32.27 2cra h LYS 39 CO 0.18 0.84 0.15 0.82 -1.08 0.00 0.00 179.45 180.36 2cra h ILE 40 N 0.17 1.16 0.00 1.86 2.04 -1.09 -0.02 117.51 121.63 2cra h ILE 40 Ca 0.03 -0.49 -0.06 0.00 1.00 0.00 0.00 64.86 65.34 2cra h ILE 40 Cb 0.75 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 2cra h ILE 40 CO 0.05 0.19 -0.30 -1.28 0.00 0.00 0.00 178.15 176.81 2cra h SER 41 N 0.56 0.00 0.83 1.72 0.87 -1.42 0.23 113.55 116.34 2cra h SER 41 Ca 0.14 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.55 2cra h SER 41 Cb 0.13 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 2cra h SER 41 CO -0.01 0.30 -1.26 0.00 -0.53 0.00 0.00 176.83 175.33 2cra h ALA 42 N 1.70 0.64 0.00 6.23 0.00 -1.02 0.84 119.26 127.66 2cra h ALA 42 Ca -0.00 -0.72 -0.18 0.00 0.00 0.00 0.00 54.91 54.00 2cra h ALA 42 Cb 0.74 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2cra h ALA 42 CO 0.04 0.80 -1.45 0.00 0.00 0.00 0.00 179.25 178.64 2cra n ALA 43 N -2.35 1.87 0.47 0.00 0.00 -0.12 -4.18 120.51 116.20 2cra n ALA 43 Ca -0.07 -0.57 0.05 0.00 0.00 0.00 0.00 53.44 52.84 2cra n ALA 43 Cb 0.80 -0.94 -0.05 0.00 0.00 0.00 0.00 19.45 19.26 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 -2.91 0.00 -2.75 0.00 -2.24 0.78 -4.96 114.28 102.20 2cra n THR 44 Ca -0.11 -0.28 -0.18 0.00 -2.27 0.00 0.00 64.05 61.21 2cra n THR 44 Cb 0.87 1.02 0.02 0.00 -2.10 0.00 0.00 70.33 70.13 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 -1.11 -5.32 -4.95 3.42 7.64 0.24 -4.89 113.62 108.66 2cra n SER 45 Ca 0.02 -0.18 -0.25 0.00 1.01 0.00 0.00 58.87 59.47 2cra n SER 45 Cb 0.16 -4.22 0.02 0.00 -1.01 0.00 0.00 64.21 59.16 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 -5.49 2.73 0.08 -3.43 1.43 -0.87 -5.00 118.68 108.14 2cra s LEU 46 Ca 0.19 -1.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.10 2cra s LEU 46 Cb -0.08 -1.21 -0.04 0.00 0.03 0.00 0.00 46.19 44.89 2cra s LEU 46 CO 0.23 -1.23 0.24 -0.44 0.23 0.00 0.00 176.35 175.38 2cra s SER 47 N -4.41 6.36 0.29 2.29 0.01 -1.26 -4.53 113.70 112.45 2cra s SER 47 Ca 0.40 0.27 0.04 0.00 1.31 0.00 0.00 55.95 57.98 2cra s SER 47 Cb -0.03 -1.96 0.68 0.00 0.21 0.00 0.00 66.02 64.92 2cra s SER 47 CO 0.25 0.14 1.78 -0.33 0.41 0.00 0.00 173.24 175.50 2cra h GLU 48 N 2.87 0.77 -0.18 12.44 5.08 -1.97 -0.50 114.58 133.09 2cra h GLU 48 Ca -0.46 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 57.78 2cra h GLU 48 Cb 1.17 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 2cra h GLU 48 CO 0.74 0.51 -0.18 -0.09 -1.00 0.00 0.00 179.01 178.99 2cra h ARG 49 N 0.79 0.44 -0.06 2.33 9.65 -1.96 -2.77 114.38 122.80 2cra h ARG 49 Ca 0.55 -0.23 0.03 0.00 -1.10 0.00 0.00 59.98 59.23 2cra h ARG 49 Cb 0.79 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.35 2cra h ARG 49 CO -0.36 0.80 -0.14 1.96 2.80 0.00 0.00 179.97 185.03 2cra h GLN 50 N 0.10 -0.20 -0.14 0.20 4.20 -1.63 0.35 115.11 117.98 2cra h GLN 50 Ca 0.03 0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.79 2cra h GLN 50 Cb 0.72 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 2cra h GLN 50 CO 0.04 -0.13 0.11 0.82 -0.67 0.00 0.00 178.83 179.00 2cra h ILE 51 N -0.21 0.86 0.05 2.54 2.04 -1.19 -2.30 117.51 119.31 2cra h ILE 51 Ca 0.07 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.93 2cra h ILE 51 Cb 0.30 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 2cra h ILE 51 CO -0.18 0.00 -0.02 0.74 0.00 0.00 0.00 178.15 178.69 2cra h THR 52 N 0.00 1.30 -0.64 -0.27 2.02 -0.90 -2.96 112.91 111.46 2cra h THR 52 Ca 0.07 -1.50 0.12 0.00 0.77 0.00 0.00 66.41 65.86 2cra h THR 52 Cb 0.29 2.25 -0.09 0.00 -1.74 0.00 0.00 68.15 68.85 2cra h THR 52 CO -0.00 0.36 0.16 0.40 0.37 0.00 0.00 175.52 176.81 2cra h ILE 53 N -0.78 0.64 -0.50 3.11 2.04 -0.59 -0.89 117.51 120.54 2cra h ILE 53 Ca -0.01 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.78 2cra h ILE 53 Cb 0.64 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 2cra h ILE 53 CO 0.01 0.05 0.29 -0.25 0.00 0.00 0.00 178.15 178.26 2cra h TRP 54 N 0.30 0.54 -0.02 1.37 7.01 -1.51 0.20 115.95 123.84 2cra h TRP 54 Ca 0.34 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.33 2cra h TRP 54 Cb 0.51 -0.17 -0.00 0.00 -2.10 0.00 0.00 29.16 27.39 2cra h TRP 54 CO -0.23 0.31 -0.09 0.74 -2.79 0.00 0.00 178.44 176.37 2cra h PHE 55 N 0.58 0.03 0.08 2.65 -1.00 -1.04 -1.05 116.94 117.19 2cra h PHE 55 Ca 0.20 -0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.98 2cra h PHE 55 Cb 0.03 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.58 2cra h PHE 55 CO -0.07 0.12 -0.04 1.96 -1.61 0.00 0.00 178.31 178.67 2cra h GLN 56 N 0.03 -0.11 -0.54 1.51 1.08 -0.17 -3.25 115.11 113.66 2cra h GLN 56 Ca 0.01 0.01 0.08 0.00 -1.45 0.00 0.00 58.65 57.30 2cra h GLN 56 Cb 0.18 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.60 2cra h GLN 56 CO 0.01 0.40 0.36 -0.91 -0.95 0.00 0.00 178.83 177.75 2cra h ASN 57 N -0.91 0.34 -0.53 1.46 2.35 -0.87 0.20 115.58 117.62 2cra h ASN 57 Ca -0.01 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.78 2cra h ASN 57 Cb 0.56 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.82 2cra h ASN 57 CO 0.02 0.21 0.29 -0.09 -1.65 0.00 0.00 177.43 176.21 2cra h ARG 58 N 0.38 0.54 0.02 0.81 9.65 -1.26 0.21 114.38 124.73 2cra h ARG 58 Ca 0.24 -0.03 -0.06 0.00 -1.10 0.00 0.00 59.98 59.03 2cra h ARG 58 Cb 0.46 -0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 28.91 2cra h ARG 58 CO -0.06 0.36 -0.32 0.00 2.80 0.00 0.00 179.97 182.74 2cra h ARG 59 N 0.56 0.03 -0.19 0.20 3.08 -1.34 -3.31 114.38 113.41 2cra h ARG 59 Ca 0.23 -0.06 0.06 0.00 0.07 0.00 0.00 59.98 60.28 2cra h ARG 59 Cb 0.11 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 2cra h ARG 59 CO -0.14 1.03 0.23 0.28 -1.07 0.00 0.00 179.97 180.29 2cra h VAL 60 N -0.93 0.41 -0.67 2.04 2.07 -0.62 -0.80 116.25 117.75 2cra h VAL 60 Ca -0.08 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.61 2cra h VAL 60 Cb 1.13 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 2cra h VAL 60 CO -0.02 0.00 0.47 0.50 0.02 0.00 0.00 177.57 178.54 2cra h LYS 61 N 0.00 0.12 -0.50 1.57 3.64 -0.66 0.19 116.57 120.93 2cra h LYS 61 Ca 0.09 -0.01 -0.21 0.00 -1.27 0.00 0.00 60.65 59.25 2cra h LYS 61 Cb 0.55 -0.03 -0.13 0.00 -0.41 0.00 0.00 32.23 32.22 2cra h LYS 61 CO -0.00 0.08 0.11 -0.85 -2.27 0.00 0.00 179.45 176.52 2cra n GLU 62 N -4.39 2.33 -0.02 1.90 0.28 -0.31 -4.39 120.64 116.04 2cra n GLU 62 Ca 0.13 -3.08 -0.01 0.00 -0.16 0.00 0.00 57.16 54.04 2cra n GLU 62 Cb 0.65 -1.93 -0.06 0.00 1.43 0.00 0.00 31.44 31.53 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 -0.91 1.81 -3.04 3.44 4.76 0.66 -5.04 118.16 119.85 2cra n LYS 63 Ca 0.37 -0.03 -0.18 0.00 -2.87 0.00 0.00 58.31 55.60 2cra n LYS 63 Cb 1.17 -1.19 0.01 0.00 -1.84 0.00 0.00 35.03 33.18 2cra n LYS 63 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2cra s LYS 64 N -2.32 2.85 -1.08 1.97 1.02 -1.17 -5.05 119.74 115.96 2cra s LYS 64 Ca -0.03 -1.12 -0.11 0.00 0.02 0.00 0.00 55.97 54.72 2cra s LYS 64 Cb 0.03 -2.73 0.25 0.00 -0.52 0.00 0.00 37.83 34.86 2cra s LYS 64 CO 0.31 -0.27 1.10 0.45 -0.92 0.00 0.00 175.35 176.03 2cra s SER 65 N -4.33 7.19 0.23 2.83 0.15 -1.26 -4.99 113.70 113.53 2cra s SER 65 Ca 0.53 -3.34 -0.05 0.00 0.70 0.00 0.00 55.95 53.79 2cra s SER 65 Cb -0.10 -2.24 -0.02 0.00 -1.71 0.00 0.00 66.02 61.95 2cra s SER 65 CO 0.33 -0.41 0.28 -0.83 1.20 0.00 0.00 173.24 173.81 2cra s GLY 66 N 1.70 1.16 0.36 9.45 0.00 -1.26 -5.15 107.32 113.58 2cra s GLY 66 Ca 0.30 -1.42 -0.27 0.00 0.00 0.00 0.00 44.72 43.33 2cra s GLY 66 CO -0.07 -1.11 1.21 2.56 0.00 0.00 0.00 173.10 175.69 2cra s PRO 67 N -4.01 4.25 -0.06 2.90 0.04 -1.26 -5.05 135.00 131.81 2cra s PRO 67 Ca 0.33 1.97 0.03 0.00 0.04 0.00 0.00 61.00 63.37 2cra s PRO 67 Cb 0.04 -2.90 0.01 0.00 0.04 0.00 0.00 34.50 31.68 2cra s PRO 67 CO 0.12 -0.19 -0.13 -1.54 0.04 0.00 0.00 177.00 175.30 2cra s SER 68 N -0.86 1.80 -0.39 6.66 1.04 -1.26 -5.10 113.70 115.59 2cra s SER 68 Ca 0.52 -0.30 -0.29 0.00 0.48 0.00 0.00 55.95 56.36 2cra s SER 68 Cb -0.34 -0.75 0.02 0.00 0.10 0.00 0.00 66.02 65.05 2cra s SER 68 CO 0.44 0.06 1.15 -0.44 0.98 0.00 0.00 173.24 175.43 2cra s SER 69 N 0.51 6.74 0.00 7.02 0.01 -1.26 -5.28 113.70 121.44 2cra s SER 69 Ca -0.12 0.80 0.00 0.00 1.31 0.00 0.00 55.95 57.94 2cra s SER 69 Cb -0.14 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.54 2cra s SER 69 CO 0.03 -1.10 0.00 0.61 0.41 0.00 0.00 173.24 173.20