#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 5.07 0.10 1.61 0.15 -1.26 -5.13 113.70 114.24 2cra s SER 2 Ca 0.00 -0.73 0.09 0.00 0.70 0.00 0.00 55.95 56.01 2cra s SER 2 Cb 0.00 0.15 -0.04 0.00 -1.71 0.00 0.00 66.02 64.42 2cra s SER 2 CO 0.00 -1.34 -0.21 -0.94 1.20 0.00 0.00 173.24 171.95 2cra s SER 3 N -4.64 3.68 0.00 5.45 1.04 -1.26 -4.90 113.70 113.07 2cra s SER 3 Ca 0.62 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 56.47 2cra s SER 3 Cb -0.06 -0.46 0.00 0.00 0.10 0.00 0.00 66.02 65.59 2cra s SER 3 CO 0.39 0.20 0.00 0.61 0.98 0.00 0.00 173.24 175.42 2cra n GLY 4 N 1.08 0.47 3.28 7.32 0.00 -1.26 -5.10 105.19 110.98 2cra n GLY 4 Ca -0.16 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.41 2cra n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cra s SER 5 N -0.86 6.39 -0.04 1.61 1.04 -1.26 -4.99 113.70 115.60 2cra s SER 5 Ca 0.00 -2.56 -0.31 0.00 0.48 0.00 0.00 55.95 53.56 2cra s SER 5 Cb 0.00 -2.14 0.12 0.00 0.10 0.00 0.00 66.02 64.09 2cra s SER 5 CO 0.00 -0.58 1.18 -0.94 0.98 0.00 0.00 173.24 173.88 2cra s SER 6 N 2.13 -0.12 0.86 7.02 1.04 -1.26 -5.04 113.70 118.33 2cra s SER 6 Ca 0.15 -0.13 -0.13 0.00 0.48 0.00 0.00 55.95 56.32 2cra s SER 6 Cb -0.15 0.23 0.12 0.00 0.10 0.00 0.00 66.02 66.31 2cra s SER 6 CO -0.06 -0.40 1.22 -0.83 0.98 0.00 0.00 173.24 174.15 2cra s GLY 7 N -2.72 1.65 -1.06 7.32 0.00 -1.26 -5.01 107.32 106.25 2cra s GLY 7 Ca 0.12 -0.83 -0.06 0.00 0.00 0.00 0.00 44.72 43.94 2cra s GLY 7 CO -0.04 -0.26 1.07 0.54 0.00 0.00 0.00 173.10 174.42 2cra n ARG 8 N -3.45 3.41 -4.47 2.90 5.12 -1.26 -5.01 116.66 113.90 2cra n ARG 8 Ca 0.10 -4.48 -0.22 0.00 -1.93 0.00 0.00 57.85 51.33 2cra n ARG 8 Cb 0.60 -2.51 -0.14 0.00 -1.16 0.00 0.00 32.46 29.26 2cra n ARG 8 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2cra s LYS 9 N -1.49 1.08 -1.19 5.56 -0.14 -1.26 -5.08 119.74 117.22 2cra s LYS 9 Ca 0.30 -0.76 -0.12 0.00 -1.36 0.00 0.00 55.97 54.03 2cra s LYS 9 Cb -0.07 -1.10 0.20 0.00 -1.68 0.00 0.00 37.83 35.18 2cra s LYS 9 CO -0.07 0.28 1.39 1.63 -0.76 0.00 0.00 175.35 177.82 2cra n LYS 10 N 2.01 3.46 -1.19 1.68 4.01 -1.26 -4.92 118.16 121.95 2cra n LYS 10 Ca -0.17 -4.00 0.00 0.00 -0.51 0.00 0.00 58.31 53.63 2cra n LYS 10 Cb 0.54 -2.90 0.00 0.00 -0.51 0.00 0.00 35.03 32.17 2cra n LYS 10 CO 0.00 0.00 0.00 2.89 -1.11 0.00 0.00 177.40 179.18 2cra n ARG 11 N 4.65 0.00 -1.62 1.97 1.85 -1.26 -5.13 116.66 117.11 2cra n ARG 11 Ca 0.34 0.00 -0.46 0.00 -1.00 0.00 0.00 57.85 56.72 2cra n ARG 11 Cb 0.41 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.79 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 0.00 1.05 -1.02 8.89 2.08 -1.26 -4.98 119.36 124.12 2cra n ILE 12 Ca 0.00 -0.26 -0.00 0.00 0.56 0.00 0.00 62.75 63.04 2cra n ILE 12 Cb 0.00 -1.17 0.00 0.00 -0.75 0.00 0.00 39.64 37.73 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 1.75 -0.02 -1.95 0.38 -0.04 -1.26 -4.94 135.00 128.93 2cra n PRO 13 Ca 0.13 -0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2cra n PRO 13 Cb 0.29 -0.02 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 -2.02 -3.83 -1.69 0.54 4.01 -1.26 -5.01 117.16 107.89 2cra n TYR 14 Ca 0.00 2.29 -0.30 0.00 -0.16 0.00 0.00 57.90 59.73 2cra n TYR 14 Cb 0.01 -3.41 0.21 0.00 -0.31 0.00 0.00 39.34 35.83 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 -0.45 2.42 0.17 7.72 0.01 -1.26 -4.67 113.70 117.65 2cra s SER 15 Ca 0.00 0.35 -0.14 0.00 1.31 0.00 0.00 55.95 57.46 2cra s SER 15 Cb 0.00 -0.42 0.09 0.00 0.21 0.00 0.00 66.02 65.90 2cra s SER 15 CO 0.00 -3.17 1.80 0.50 0.41 0.00 0.00 173.24 172.78 2cra h LYS 16 N -1.94 0.52 -0.37 12.44 3.64 -1.98 0.10 116.57 128.98 2cra h LYS 16 Ca -0.44 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 58.85 2cra h LYS 16 Cb 1.25 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 2cra h LYS 16 CO 0.36 0.34 -0.01 0.78 -2.27 0.00 0.00 179.45 178.65 2cra h GLY 17 N 0.53 0.63 0.37 5.01 0.00 -1.99 0.87 103.07 108.50 2cra h GLY 17 Ca 0.19 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 2cra h GLY 17 CO -0.10 0.36 -0.04 1.46 0.00 0.00 0.00 176.54 178.22 2cra h GLN 18 N 0.56 -0.10 0.00 4.80 4.20 -1.75 -3.20 115.11 119.62 2cra h GLN 18 Ca 0.12 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 2cra h GLN 18 Cb 0.37 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.17 2cra h GLN 18 CO 0.01 0.43 -0.12 -0.07 -0.67 0.00 0.00 178.83 178.42 2cra h LEU 19 N -0.73 0.00 -0.79 1.46 3.38 -0.78 -2.79 115.31 115.06 2cra h LEU 19 Ca -0.01 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.04 2cra h LEU 19 Cb 0.58 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.26 2cra h LEU 19 CO 0.02 0.12 0.45 0.03 0.09 0.00 0.00 178.44 179.15 2cra h ARG 20 N 0.00 0.76 0.10 1.13 2.47 -0.81 0.23 114.38 118.26 2cra h ARG 20 Ca -0.00 -0.05 -0.28 0.00 -1.26 0.00 0.00 59.98 58.39 2cra h ARG 20 Cb 0.39 -0.17 0.03 0.00 -1.65 0.00 0.00 29.97 28.56 2cra h ARG 20 CO 0.02 0.50 -1.17 0.93 0.56 0.00 0.00 179.97 180.81 2cra h GLU 21 N 0.78 0.61 0.66 0.04 4.39 -1.58 -2.98 114.58 116.50 2cra h GLU 21 Ca 0.37 -0.79 -0.03 0.00 0.34 0.00 0.00 59.36 59.24 2cra h GLU 21 Cb 0.30 0.26 0.01 0.00 -0.10 0.00 0.00 28.75 29.21 2cra h GLU 21 CO -0.22 1.36 -0.32 -0.07 -1.16 0.00 0.00 179.01 178.59 2cra h LEU 22 N 0.24 -0.75 -0.89 1.33 3.38 -1.32 -0.08 115.31 117.21 2cra h LEU 22 Ca -0.18 0.02 0.12 0.00 0.09 0.00 0.00 57.88 57.93 2cra h LEU 22 Cb 1.85 0.19 -0.08 0.00 0.09 0.00 0.00 40.66 42.71 2cra h LEU 22 CO 0.22 -0.53 0.52 -0.33 0.09 0.00 0.00 178.44 178.41 2cra h GLU 23 N -0.90 0.80 0.58 1.13 5.08 -0.70 0.21 114.58 120.78 2cra h GLU 23 Ca -0.09 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 2cra h GLU 23 Cb 0.68 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.76 2cra h GLU 23 CO 0.15 0.53 -0.28 0.00 -1.00 0.00 0.00 179.01 178.41 2cra h ARG 24 N 0.83 -0.75 -0.20 2.33 3.08 -1.34 0.25 114.38 118.58 2cra h ARG 24 Ca 0.45 0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.58 2cra h ARG 24 Cb 0.48 0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.67 2cra h ARG 24 CO -0.28 -0.46 0.04 0.93 -1.07 0.00 0.00 179.97 179.13 2cra h GLU 25 N -0.89 0.11 -0.15 0.04 3.07 -0.61 -1.11 114.58 115.05 2cra h GLU 25 Ca -0.08 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 2cra h GLU 25 Cb 0.64 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.51 2cra h GLU 25 CO 0.13 0.07 0.09 -0.92 -1.40 0.00 0.00 179.01 176.98 2cra h TYR 26 N 0.11 0.16 -0.04 4.33 3.20 -0.58 0.26 116.97 124.42 2cra h TYR 26 Ca 0.09 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.98 2cra h TYR 26 Cb 0.08 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.30 2cra h TYR 26 CO -0.14 0.10 0.05 0.00 -1.64 0.00 0.00 178.16 176.52 2cra h ALA 27 N 1.06 1.66 0.10 1.82 0.00 -0.23 -1.90 119.26 121.78 2cra h ALA 27 Ca 0.06 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.64 2cra h ALA 27 Cb -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2cra h ALA 27 CO -0.02 -0.07 -1.68 0.00 0.00 0.00 0.00 179.25 177.48 2cra h ALA 28 N 1.95 0.39 -2.60 0.00 0.00 -0.24 -3.47 119.26 115.29 2cra h ALA 28 Ca 0.02 -1.24 -0.11 0.00 0.00 0.00 0.00 54.91 53.58 2cra h ALA 28 Cb 0.11 0.42 -0.27 0.00 0.00 0.00 0.00 17.79 18.05 2cra h ALA 28 CO -0.00 1.25 -0.34 0.54 0.00 0.00 0.00 179.25 180.70 2cra s ASN 29 N -6.87 -0.35 0.21 0.00 4.22 0.84 -5.04 114.94 107.95 2cra s ASN 29 Ca -0.12 0.92 -0.09 0.00 -2.14 0.00 0.00 52.86 51.43 2cra s ASN 29 Cb 0.07 1.01 0.27 0.00 1.28 0.00 0.00 41.25 43.88 2cra s ASN 29 CO 0.83 -0.21 1.80 0.11 -2.04 0.00 0.00 177.10 177.59 2cra h LYS 30 N 7.64 0.66 -5.23 3.55 1.57 -1.82 -3.35 116.57 119.59 2cra h LYS 30 Ca -0.26 -0.04 -0.66 0.00 -1.87 0.00 0.00 60.65 57.81 2cra h LYS 30 Cb 1.15 -0.15 -0.29 0.00 0.08 0.00 0.00 32.23 33.02 2cra h LYS 30 CO 0.21 0.44 -0.79 -0.06 -0.57 0.00 0.00 179.45 178.68 2cra s PHE 31 N -6.08 2.79 0.27 -1.35 0.08 -1.26 -4.95 117.98 107.48 2cra s PHE 31 Ca -0.13 -0.91 -0.00 0.00 0.12 0.00 0.00 56.93 56.00 2cra s PHE 31 Cb 0.17 -1.88 0.05 0.00 -0.57 0.00 0.00 43.02 40.79 2cra s PHE 31 CO 0.76 -0.40 0.37 0.44 -0.10 0.00 0.00 175.22 176.29 2cra n ILE 32 N 3.91 0.00 -4.38 0.64 -5.35 -1.26 -5.12 119.36 107.81 2cra n ILE 32 Ca -0.19 -0.56 -0.20 0.00 -0.27 0.00 0.00 62.75 61.53 2cra n ILE 32 Cb 0.52 -1.23 -0.10 0.00 -1.74 0.00 0.00 39.64 37.09 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 -1.02 1.96 0.36 7.28 -1.32 -1.26 -5.01 115.64 116.64 2cra s THR 33 Ca 0.24 -2.22 0.12 0.00 -1.21 0.00 0.00 61.69 58.62 2cra s THR 33 Cb -0.01 -2.09 0.34 0.00 -1.51 0.00 0.00 72.50 69.23 2cra s THR 33 CO 0.16 -0.50 1.81 0.11 -2.21 0.00 0.00 174.62 174.00 2cra h LYS 34 N 2.58 0.57 -0.23 7.08 1.57 -2.00 0.30 116.57 126.45 2cra h LYS 34 Ca -0.39 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.26 2cra h LYS 34 Cb 1.23 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 2cra h LYS 34 CO 0.60 0.38 -0.26 -0.44 -0.57 0.00 0.00 179.45 179.16 2cra h ASP 35 N 0.59 0.44 0.05 0.86 5.19 -2.00 -2.33 116.42 119.22 2cra h ASP 35 Ca 0.53 -0.15 -0.00 0.00 -0.62 0.00 0.00 57.03 56.79 2cra h ASP 35 Cb 1.05 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.44 2cra h ASP 35 CO -0.28 0.70 -0.02 0.50 -3.12 0.00 0.00 179.24 177.02 2cra h LYS 36 N 0.39 -0.06 -0.69 3.56 1.63 -0.91 -3.25 116.57 117.24 2cra h LYS 36 Ca 0.06 0.00 0.15 0.00 -0.85 0.00 0.00 60.65 60.01 2cra h LYS 36 Cb 0.66 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.26 2cra h LYS 36 CO 0.05 0.57 0.47 -0.09 -3.45 0.00 0.00 179.45 177.00 2cra h ARG 37 N -0.80 0.26 -0.47 1.90 2.43 -0.94 0.11 114.38 116.86 2cra h ARG 37 Ca -0.01 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 2cra h ARG 37 Cb 0.66 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 2cra h ARG 37 CO 0.01 0.17 0.18 0.00 -1.51 0.00 0.00 179.97 178.82 2cra h ARG 38 N 0.27 0.68 0.08 0.20 3.08 -1.45 -1.93 114.38 115.31 2cra h ARG 38 Ca 0.33 -0.10 -0.15 0.00 0.07 0.00 0.00 59.98 60.14 2cra h ARG 38 Cb 0.93 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.86 2cra h ARG 38 CO -0.08 0.57 -0.69 0.87 -1.07 0.00 0.00 179.97 179.57 2cra h LYS 39 N 0.68 0.18 -0.43 0.04 1.79 -0.90 -3.25 116.57 114.68 2cra h LYS 39 Ca 0.16 -0.30 0.12 0.00 -2.18 0.00 0.00 60.65 58.45 2cra h LYS 39 Cb 0.15 0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.90 2cra h LYS 39 CO -0.01 1.14 0.37 0.82 -1.08 0.00 0.00 179.45 180.69 2cra h ILE 40 N -0.60 0.57 0.01 1.86 2.04 -1.06 0.33 117.51 120.65 2cra h ILE 40 Ca -0.14 0.00 -0.20 0.00 1.00 0.00 0.00 64.86 65.52 2cra h ILE 40 Cb 1.44 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 2cra h ILE 40 CO 0.06 0.00 -0.88 -1.28 0.00 0.00 0.00 178.15 176.05 2cra h SER 41 N 0.00 0.24 1.01 1.72 0.87 -1.43 -1.66 113.55 114.30 2cra h SER 41 Ca 0.20 -0.20 -0.16 0.00 -1.23 0.00 0.00 61.79 60.41 2cra h SER 41 Cb 0.93 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.80 2cra h SER 41 CO -0.00 1.01 -1.05 0.00 -0.53 0.00 0.00 176.83 176.25 2cra h ALA 42 N 0.98 0.63 0.10 6.23 0.00 -0.73 0.32 119.26 126.79 2cra h ALA 42 Ca -0.04 -0.75 -0.14 0.00 0.00 0.00 0.00 54.91 53.97 2cra h ALA 42 Cb 1.52 0.11 0.02 0.00 0.00 0.00 0.00 17.79 19.43 2cra h ALA 42 CO 0.13 0.89 -0.63 0.00 0.00 0.00 0.00 179.25 179.64 2cra h ALA 43 N 1.38 -0.06 -0.72 0.00 0.00 -0.53 -3.32 119.26 116.01 2cra h ALA 43 Ca -0.10 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.17 2cra h ALA 43 Cb 1.56 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2cra h ALA 43 CO 0.06 0.29 0.00 0.25 0.00 0.00 0.00 179.25 179.86 2cra n THR 44 N -4.24 1.09 -2.54 0.00 -2.24 -0.63 -4.93 114.28 100.80 2cra n THR 44 Ca -0.13 -1.02 -0.13 0.00 -2.27 0.00 0.00 64.05 60.49 2cra n THR 44 Cb 0.74 0.46 -0.00 0.00 -2.10 0.00 0.00 70.33 69.42 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 1.56 -3.94 -5.03 3.42 2.88 -0.37 -4.86 113.62 107.28 2cra n SER 45 Ca 0.24 0.13 -0.20 0.00 -1.33 0.00 0.00 58.87 57.72 2cra n SER 45 Cb 0.65 -3.34 0.06 0.00 -0.75 0.00 0.00 64.21 60.84 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 -5.72 3.03 0.12 2.46 1.43 -0.04 -4.97 118.68 115.00 2cra s LEU 46 Ca 0.04 -0.91 0.04 0.00 -1.03 0.00 0.00 54.13 52.28 2cra s LEU 46 Cb -0.02 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.65 2cra s LEU 46 CO 0.05 -1.39 0.11 -0.55 0.23 0.00 0.00 176.35 174.79 2cra s SER 47 N -4.69 5.51 0.37 2.29 0.15 -1.26 -4.40 113.70 111.67 2cra s SER 47 Ca 0.62 -0.07 0.12 0.00 0.70 0.00 0.00 55.95 57.31 2cra s SER 47 Cb -0.05 -1.46 0.91 0.00 -1.71 0.00 0.00 66.02 63.71 2cra s SER 47 CO 0.39 0.12 1.83 -0.33 1.20 0.00 0.00 173.24 176.45 2cra h GLU 48 N 2.84 0.57 0.02 5.44 5.08 -1.96 -0.75 114.58 125.83 2cra h GLU 48 Ca -0.47 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 57.85 2cra h GLU 48 Cb 1.18 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2cra h GLU 48 CO 0.64 0.38 -0.01 -0.09 -1.00 0.00 0.00 179.01 178.93 2cra h ARG 49 N 0.59 -0.02 -0.30 2.33 9.65 -1.97 -2.93 114.38 121.72 2cra h ARG 49 Ca 0.51 0.00 0.07 0.00 -1.10 0.00 0.00 59.98 59.45 2cra h ARG 49 Cb 0.99 0.01 -0.07 0.00 -1.39 0.00 0.00 29.97 29.51 2cra h ARG 49 CO -0.25 0.52 -0.15 1.96 2.80 0.00 0.00 179.97 184.86 2cra h GLN 50 N -0.59 -0.10 -0.20 0.20 1.08 -1.72 0.11 115.11 113.90 2cra h GLN 50 Ca -0.00 0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.26 2cra h GLN 50 Cb 0.56 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.00 2cra h GLN 50 CO 0.00 -0.06 0.17 0.82 -0.95 0.00 0.00 178.83 178.81 2cra h ILE 51 N -0.10 0.72 0.01 2.54 2.04 -1.25 -2.31 117.51 119.17 2cra h ILE 51 Ca 0.16 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.02 2cra h ILE 51 Cb 0.34 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 2cra h ILE 51 CO -0.37 0.00 -0.01 0.74 0.00 0.00 0.00 178.15 178.52 2cra h THR 52 N 0.00 1.52 -0.53 -0.27 2.02 -0.65 -3.05 112.91 111.96 2cra h THR 52 Ca 0.10 -1.73 0.10 0.00 0.77 0.00 0.00 66.41 65.65 2cra h THR 52 Cb 0.43 2.68 -0.08 0.00 -1.74 0.00 0.00 68.15 69.43 2cra h THR 52 CO -0.00 0.44 0.03 0.40 0.37 0.00 0.00 175.52 176.76 2cra h ILE 53 N -0.78 0.61 -0.11 3.11 2.04 -0.60 -1.33 117.51 120.45 2cra h ILE 53 Ca -0.00 -0.05 0.03 0.00 1.00 0.00 0.00 64.86 65.84 2cra h ILE 53 Cb 0.73 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 2cra h ILE 53 CO 0.00 0.03 -0.09 -0.25 0.00 0.00 0.00 178.15 177.84 2cra h TRP 54 N 0.15 -0.23 -0.22 1.37 7.01 -1.54 0.11 115.95 122.60 2cra h TRP 54 Ca 0.27 0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.35 2cra h TRP 54 Cb 0.41 0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.58 2cra h TRP 54 CO -0.30 -0.15 0.18 0.74 -2.79 0.00 0.00 178.44 176.13 2cra h PHE 55 N -0.11 0.00 0.03 2.65 -1.00 -1.23 -0.11 116.94 117.17 2cra h PHE 55 Ca 0.08 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.86 2cra h PHE 55 Cb 0.22 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.78 2cra h PHE 55 CO -0.21 0.00 -0.01 1.96 -1.61 0.00 0.00 178.31 178.43 2cra h GLN 56 N 0.00 -0.04 0.00 1.51 4.20 -0.08 -2.98 115.11 117.73 2cra h GLN 56 Ca 0.10 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 2cra h GLN 56 Cb 0.47 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 2cra h GLN 56 CO -0.00 0.51 -0.00 -0.91 -0.67 0.00 0.00 178.83 177.76 2cra h ASN 57 N -0.97 0.00 0.19 1.46 2.35 -0.48 0.26 115.58 118.39 2cra h ASN 57 Ca -0.00 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.43 2cra h ASN 57 Cb 0.56 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.97 2cra h ASN 57 CO 0.01 0.00 -1.35 0.03 -1.65 0.00 0.00 177.43 174.47 2cra h ARG 58 N 0.00 0.59 0.03 0.81 2.47 -1.09 -3.09 114.38 114.11 2cra h ARG 58 Ca -0.00 -0.87 -0.07 0.00 -1.26 0.00 0.00 59.98 57.77 2cra h ARG 58 Cb 0.01 0.30 -0.00 0.00 -1.65 0.00 0.00 29.97 28.63 2cra h ARG 58 CO 0.00 1.41 -0.37 0.00 0.56 0.00 0.00 179.97 181.57 2cra h ARG 59 N 0.22 0.07 -0.37 0.04 3.08 -1.12 -3.31 114.38 113.00 2cra h ARG 59 Ca -0.22 -0.12 0.11 0.00 0.07 0.00 0.00 59.98 59.82 2cra h ARG 59 Cb 2.02 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 32.10 2cra h ARG 59 CO 0.25 1.06 0.36 0.28 -1.07 0.00 0.00 179.97 180.85 2cra h VAL 60 N -0.85 0.48 -0.45 2.04 2.07 -0.69 -1.63 116.25 117.21 2cra h VAL 60 Ca -0.08 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.53 2cra h VAL 60 Cb 1.19 0.72 -0.08 0.00 -1.52 0.00 0.00 31.29 31.61 2cra h VAL 60 CO 0.01 0.00 -0.02 0.50 0.02 0.00 0.00 177.57 178.07 2cra h LYS 61 N 0.00 0.08 0.00 1.57 3.64 -1.62 -1.08 116.57 119.17 2cra h LYS 61 Ca 0.17 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.41 2cra h LYS 61 Cb 0.89 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.67 2cra h LYS 61 CO -0.00 0.06 -0.67 1.05 -2.27 0.00 0.00 179.45 177.62 2cra h GLU 62 N 0.09 0.00 -0.95 1.90 4.11 -1.50 -3.26 114.58 114.96 2cra h GLU 62 Ca 0.23 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.71 2cra h GLU 62 Cb 0.34 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.53 2cra h GLU 62 CO -0.40 0.67 0.62 0.87 0.07 0.00 0.00 179.01 180.84 2cra h LYS 63 N 0.00 1.11 -6.17 1.06 1.79 -0.89 -3.26 116.57 110.21 2cra h LYS 63 Ca -0.01 -0.07 -0.56 0.00 -2.18 0.00 0.00 60.65 57.84 2cra h LYS 63 Cb 1.48 -0.25 -0.04 0.00 -1.58 0.00 0.00 32.23 31.83 2cra h LYS 63 CO 0.09 0.73 0.31 0.15 -1.08 0.00 0.00 179.45 179.65 2cra s LYS 64 N -5.99 4.45 -1.28 3.15 3.01 -0.72 -3.97 119.74 118.39 2cra s LYS 64 Ca -0.12 1.16 -0.05 0.00 -1.01 0.00 0.00 55.97 55.95 2cra s LYS 64 Cb 0.20 -3.49 -0.01 0.00 -1.01 0.00 0.00 37.83 33.52 2cra s LYS 64 CO 0.81 -0.11 0.66 0.43 0.51 0.00 0.00 175.35 177.65 2cra n SER 65 N 4.28 -2.12 -3.24 2.83 7.64 -1.26 -4.97 113.62 116.78 2cra n SER 65 Ca 0.04 -0.90 -0.09 0.00 1.01 0.00 0.00 58.87 58.93 2cra n SER 65 Cb 0.50 -3.73 0.04 0.00 -1.01 0.00 0.00 64.21 60.01 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 -1.68 1.58 0.24 0.23 0.00 -1.23 -5.03 105.19 99.31 2cra n GLY 66 Ca -0.25 -2.12 -0.10 0.00 0.00 0.00 0.00 46.02 43.56 2cra n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cra h PRO 67 N 0.00 0.70 -4.55 1.61 0.13 -1.94 -3.46 132.00 124.49 2cra h PRO 67 Ca -0.13 -0.37 -0.21 0.00 -0.87 0.00 0.00 66.00 64.43 2cra h PRO 67 Cb 0.55 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 31.54 2cra h PRO 67 CO 0.17 0.98 -0.67 -1.12 -0.23 0.00 0.00 178.00 177.12 2cra s SER 68 N -6.86 0.81 0.00 1.44 0.01 -1.26 -5.17 113.70 102.67 2cra s SER 68 Ca -0.09 -1.11 -0.29 0.00 1.31 0.00 0.00 55.95 55.78 2cra s SER 68 Cb 0.12 0.18 0.08 0.00 0.21 0.00 0.00 66.02 66.60 2cra s SER 68 CO 0.85 -0.59 0.69 -0.55 0.41 0.00 0.00 173.24 174.04 2cra s SER 69 N -3.06 -0.61 0.00 2.44 0.15 -1.26 -5.04 113.70 106.33 2cra s SER 69 Ca 0.18 0.48 0.00 0.00 0.70 0.00 0.00 55.95 57.30 2cra s SER 69 Cb 0.07 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 2cra s SER 69 CO -0.02 -0.69 0.00 0.61 1.20 0.00 0.00 173.24 174.34