#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o8t s GLN 2 N 0.00 3.96 0.09 -0.78 -0.44 -1.26 -5.02 119.66 116.20 1o8t s GLN 2 Ca 0.00 1.07 0.09 0.00 -2.50 0.00 0.00 55.36 54.02 1o8t s GLN 2 Cb 0.00 -3.82 -0.04 0.00 -1.64 0.00 0.00 33.01 27.52 1o8t s GLN 2 CO 0.00 -1.06 -0.22 -0.65 0.50 0.00 0.00 175.29 173.86 1o8t s GLN 3 N 3.98 1.77 0.46 1.67 -1.52 -1.26 -5.03 119.66 119.73 1o8t s GLN 3 Ca 0.50 -1.15 0.20 0.00 -1.95 0.00 0.00 55.36 52.96 1o8t s GLN 3 Cb -0.13 -2.06 1.20 0.00 -0.22 0.00 0.00 33.01 31.80 1o8t s GLN 3 CO 0.21 0.50 1.92 -1.35 -0.25 0.00 0.00 175.29 176.31 1o8t h PRO 4 N 4.19 0.25 -5.87 2.91 0.11 -2.03 -3.36 132.00 128.20 1o8t h PRO 4 Ca -0.49 -0.02 -0.40 0.00 0.11 0.00 0.00 66.00 65.20 1o8t h PRO 4 Cb 1.16 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 32.15 1o8t h PRO 4 CO 0.44 0.17 1.01 -1.14 -0.21 0.00 0.00 178.00 178.27 1o8t s GLN 5 N -5.26 2.83 0.06 1.05 2.00 -1.26 -4.81 119.66 114.27 1o8t s GLN 5 Ca -0.07 -0.36 -0.20 0.00 -2.00 0.00 0.00 55.36 52.74 1o8t s GLN 5 Cb 0.21 -4.99 -0.11 0.00 0.80 0.00 0.00 33.01 28.91 1o8t s GLN 5 CO 0.76 -2.96 1.44 1.96 -0.50 0.00 0.00 175.29 175.99 1o8t h GLN 6 N 11.38 0.39 -6.86 1.67 1.08 -2.04 -3.44 115.11 117.28 1o8t h GLN 6 Ca 0.05 -0.16 -0.51 0.00 -1.45 0.00 0.00 58.65 56.59 1o8t h GLN 6 Cb 1.03 -0.02 0.04 0.00 -0.05 0.00 0.00 27.48 28.48 1o8t h GLN 6 CO 1.26 0.66 0.53 0.34 -0.95 0.00 0.00 178.83 180.68 1o8t s ASP 7 N -6.01 6.96 -0.64 1.46 2.15 -1.26 -4.93 116.67 114.40 1o8t s ASP 7 Ca -0.14 2.42 -0.26 0.00 0.43 0.00 0.00 52.55 55.00 1o8t s ASP 7 Cb 0.06 -2.63 -0.02 0.00 -0.30 0.00 0.00 42.92 40.03 1o8t s ASP 7 CO 0.75 -0.37 1.84 -0.70 -0.17 0.00 0.00 175.17 176.51 1o8t s GLU 8 N -1.74 2.65 -0.01 4.34 2.12 -1.26 -4.87 118.70 119.93 1o8t s GLU 8 Ca 0.48 0.52 -0.22 0.00 0.36 0.00 0.00 54.97 56.11 1o8t s GLU 8 Cb -0.34 -4.42 -0.14 0.00 0.26 0.00 0.00 34.13 29.49 1o8t s GLU 8 CO 0.44 -2.75 0.98 1.98 -0.54 0.00 0.00 175.26 175.37 1o8t h MET 9 N 14.54 -0.52 -6.29 4.30 4.05 -1.91 -3.42 114.93 125.67 1o8t h MET 9 Ca -0.24 0.04 -0.57 0.00 -0.28 0.00 0.00 59.70 58.65 1o8t h MET 9 Cb 1.15 0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 32.04 1o8t h MET 9 CO 1.22 -0.23 1.19 -1.25 0.23 0.00 0.00 176.91 178.08 1o8t s PRO 10 N -4.09 3.62 0.11 0.39 0.04 -1.26 -4.98 135.00 128.82 1o8t s PRO 10 Ca -0.12 1.59 -0.30 0.00 0.04 0.00 0.00 61.00 62.20 1o8t s PRO 10 Cb 0.01 -4.10 -0.07 0.00 0.04 0.00 0.00 34.50 30.38 1o8t s PRO 10 CO 0.42 -1.52 1.23 0.45 0.04 0.00 0.00 177.00 177.63 1o8t s SER 11 N 4.99 7.04 0.92 6.66 0.15 -1.26 -5.04 113.70 127.15 1o8t s SER 11 Ca 0.75 2.13 -0.07 0.00 0.70 0.00 0.00 55.95 59.46 1o8t s SER 11 Cb -0.24 -2.59 0.11 0.00 -1.71 0.00 0.00 66.02 61.59 1o8t s SER 11 CO 0.32 -0.47 0.67 -0.81 1.20 0.00 0.00 173.24 174.15 1o8t n PRO 12 N 3.50 -0.51 -2.18 5.44 -0.04 -1.26 -4.92 135.00 135.03 1o8t n PRO 12 Ca 0.08 -1.16 -0.31 0.00 -0.04 0.00 0.00 63.50 62.06 1o8t n PRO 12 Cb 0.45 -0.66 -0.05 0.00 -0.04 0.00 0.00 33.50 33.21 1o8t n PRO 12 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1o8t s THR 13 N -2.35 3.66 0.30 0.52 2.01 -1.26 -3.68 115.64 114.84 1o8t s THR 13 Ca 0.39 -1.11 0.00 0.00 0.31 0.00 0.00 61.69 61.28 1o8t s THR 13 Cb -0.01 -4.69 0.00 0.00 0.01 0.00 0.00 72.50 67.81 1o8t s THR 13 CO 0.27 -1.21 0.00 0.33 -0.69 0.00 0.00 174.62 173.32 1o8t n PHE 14 N 13.12 -3.84 0.01 4.92 7.35 -1.26 -4.94 117.46 132.81 1o8t n PHE 14 Ca 0.45 1.04 -0.12 0.00 -0.76 0.00 0.00 57.45 58.06 1o8t n PHE 14 Cb 0.46 2.74 -0.07 0.00 0.35 0.00 0.00 39.48 42.97 1o8t n PHE 14 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 1o8t h LEU 15 N 0.00 0.06 -2.36 -2.13 5.85 -1.94 -2.48 115.31 112.30 1o8t h LEU 15 Ca 0.00 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.62 1o8t h LEU 15 Cb 0.00 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 1o8t h LEU 15 CO 0.00 0.17 0.13 0.71 -0.34 0.00 0.00 178.44 179.11 1o8t h THR 16 N -0.06 0.41 -0.08 1.05 1.35 -1.93 -1.74 112.91 111.91 1o8t h THR 16 Ca 0.01 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.85 1o8t h THR 16 Cb 0.13 0.89 -0.01 0.00 -1.73 0.00 0.00 68.15 67.44 1o8t h THR 16 CO -0.00 0.00 -0.05 -0.61 -0.25 0.00 0.00 175.52 174.61 1o8t h GLN 17 N 0.00 0.12 -0.46 4.72 -0.00 -1.77 -3.27 115.11 114.45 1o8t h GLN 17 Ca 0.05 -0.02 0.09 0.00 -0.00 0.00 0.00 58.65 58.77 1o8t h GLN 17 Cb 0.31 -0.02 -0.09 0.00 0.00 0.00 0.00 27.48 27.68 1o8t h GLN 17 CO -0.00 0.18 -0.12 1.33 0.00 0.00 0.00 178.83 180.22 1o8t n VAL 18 N -4.41 -0.20 0.11 2.39 0.24 -0.66 -0.03 118.33 115.78 1o8t n VAL 18 Ca -0.02 1.05 -0.15 0.00 -2.04 0.00 0.00 64.34 63.18 1o8t n VAL 18 Cb 0.17 -1.45 -0.09 0.00 -1.47 0.00 0.00 33.84 31.00 1o8t n VAL 18 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1o8t h LYS 19 N 0.00 -0.68 0.00 7.34 1.79 -1.83 -0.76 116.57 122.43 1o8t h LYS 19 Ca 0.22 0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.70 1o8t h LYS 19 Cb 0.33 0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1o8t h LYS 19 CO -0.47 -0.45 -0.16 0.93 -1.08 0.00 0.00 179.45 178.22 1o8t h GLU 20 N -0.70 0.00 -0.76 3.15 3.07 -0.70 -2.49 114.58 116.15 1o8t h GLU 20 Ca 0.01 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.84 1o8t h GLU 20 Cb 0.72 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.60 1o8t h GLU 20 CO -0.28 0.16 0.34 1.03 -1.40 0.00 0.00 179.01 178.87 1o8t h SER 21 N 0.00 1.01 -0.30 1.42 0.87 0.22 -1.55 113.55 115.22 1o8t h SER 21 Ca -0.00 -0.15 -0.17 0.00 -1.23 0.00 0.00 61.79 60.24 1o8t h SER 21 Cb 0.34 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1o8t h SER 21 CO 0.02 0.88 -0.49 0.25 -0.53 0.00 0.00 176.83 176.96 1o8t h LEU 22 N 1.08 0.95 0.57 2.23 6.46 -0.75 -2.01 115.31 123.84 1o8t h LEU 22 Ca 0.26 -0.52 -0.02 0.00 -0.12 0.00 0.00 57.88 57.48 1o8t h LEU 22 Cb 0.16 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 39.81 1o8t h LEU 22 CO -0.03 1.29 -0.31 0.28 -0.62 0.00 0.00 178.44 179.05 1o8t h SER 23 N 0.65 -0.77 0.37 1.25 0.02 -1.27 -0.28 113.55 113.52 1o8t h SER 23 Ca 0.02 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1o8t h SER 23 Cb 1.09 0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.85 1o8t h SER 23 CO 0.11 -0.51 0.00 0.77 -1.14 0.00 0.00 176.83 176.06 1o8t h SER 24 N -0.82 0.00 0.13 3.07 4.64 -1.35 -2.49 113.55 116.73 1o8t h SER 24 Ca -0.07 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.04 1o8t h SER 24 Cb 0.65 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.76 1o8t h SER 24 CO 0.09 0.00 -0.90 0.22 -0.87 0.00 0.00 176.83 175.37 1o8t h TYR 25 N 0.00 0.66 -0.51 4.77 3.20 -0.55 -3.32 116.97 121.23 1o8t h TYR 25 Ca 0.00 -0.45 -0.05 0.00 3.14 0.00 0.00 58.73 61.37 1o8t h TYR 25 Cb 0.18 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 1o8t h TYR 25 CO 0.00 1.33 0.10 2.35 -1.64 0.00 0.00 178.16 180.30 1o8t h TRP 26 N -0.19 0.81 -0.91 -3.82 2.91 -0.63 0.46 115.95 114.57 1o8t h TRP 26 Ca -0.15 -0.08 0.11 0.00 1.13 0.00 0.00 58.89 59.91 1o8t h TRP 26 Cb 1.67 -0.24 -0.13 0.00 -0.51 0.00 0.00 29.16 29.96 1o8t h TRP 26 CO 0.17 0.70 -0.49 0.93 -1.03 0.00 0.00 178.44 178.72 1o8t h GLU 27 N 0.76 -0.05 0.00 2.65 3.07 -1.59 0.11 114.58 119.52 1o8t h GLU 27 Ca 0.16 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 1o8t h GLU 27 Cb 0.31 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 1o8t h GLU 27 CO 0.00 -0.03 -0.73 0.43 -1.40 0.00 0.00 179.01 177.28 1o8t n SER 28 N -5.36 0.64 0.20 1.42 7.64 -1.18 -4.07 113.62 112.91 1o8t n SER 28 Ca 0.05 -0.05 0.07 0.00 1.01 0.00 0.00 58.87 59.94 1o8t n SER 28 Cb 0.33 0.38 0.57 0.00 -1.01 0.00 0.00 64.21 64.47 1o8t n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1o8t h ALA 29 N 2.61 1.88 -0.12 -0.43 0.00 0.15 -2.96 119.26 120.39 1o8t h ALA 29 Ca 0.00 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1o8t h ALA 29 Cb 0.70 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 1o8t h ALA 29 CO 0.00 0.10 -0.23 0.87 0.00 0.00 0.00 179.25 179.99 1o8t h LYS 30 N 0.11 -0.28 -1.05 0.00 1.57 -1.57 -0.52 116.57 114.83 1o8t h LYS 30 Ca 0.03 0.02 0.27 0.00 -1.87 0.00 0.00 60.65 59.10 1o8t h LYS 30 Cb 0.05 0.06 -0.10 0.00 0.08 0.00 0.00 32.23 32.33 1o8t h LYS 30 CO -0.00 -0.19 0.68 0.00 -0.57 0.00 0.00 179.45 179.37 1o8t h THR 31 N -0.29 0.50 -0.61 -0.16 1.03 -1.80 0.44 112.91 112.02 1o8t h THR 31 Ca 0.10 -0.13 -0.02 0.00 -0.01 0.00 0.00 66.41 66.34 1o8t h THR 31 Cb 0.44 0.09 -0.03 0.00 -1.07 0.00 0.00 68.15 67.58 1o8t h THR 31 CO -0.29 0.07 0.29 0.00 -0.01 0.00 0.00 175.52 175.58 1o8t h ALA 32 N 1.62 0.78 -0.26 0.00 0.00 -1.19 -0.51 119.26 119.70 1o8t h ALA 32 Ca 0.61 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.44 1o8t h ALA 32 Cb 1.55 -0.24 -0.08 0.00 0.00 0.00 0.00 17.79 19.03 1o8t h ALA 32 CO -0.30 0.35 -0.38 0.00 0.00 0.00 0.00 179.25 178.91 1o8t h ALA 33 N 1.12 -0.42 -0.49 0.00 0.00 0.28 0.51 119.26 120.27 1o8t h ALA 33 Ca 0.21 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1o8t h ALA 33 Cb 0.12 0.76 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1o8t h ALA 33 CO -0.03 -0.84 0.05 1.96 0.00 0.00 0.00 179.25 180.39 1o8t h GLN 34 N -0.38 0.78 0.00 0.00 4.20 -1.42 -1.93 115.11 116.36 1o8t h GLN 34 Ca 0.12 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 1o8t h GLN 34 Cb 0.58 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 1o8t h GLN 34 CO -0.46 0.76 -0.08 -0.97 -0.67 0.00 0.00 178.83 177.40 1o8t h ASN 35 N 0.74 0.00 -0.45 1.46 -1.24 0.67 -1.42 115.58 115.34 1o8t h ASN 35 Ca 0.15 0.00 0.05 0.00 0.71 0.00 0.00 56.30 57.22 1o8t h ASN 35 Cb 0.38 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.38 1o8t h ASN 35 CO 0.01 0.08 0.17 0.25 -1.29 0.00 0.00 177.43 176.65 1o8t h LEU 36 N 0.00 0.20 -1.16 0.34 6.46 0.77 0.12 115.31 122.04 1o8t h LEU 36 Ca -0.00 0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.76 1o8t h LEU 36 Cb 0.15 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.08 1o8t h LEU 36 CO 0.01 0.15 0.11 0.22 -0.62 0.00 0.00 178.44 178.30 1o8t h TYR 37 N 0.35 0.71 0.78 1.25 5.03 -1.32 -2.96 116.97 120.82 1o8t h TYR 37 Ca 0.21 -0.06 -0.03 0.00 2.58 0.00 0.00 58.73 61.43 1o8t h TYR 37 Cb 0.19 -0.21 -0.00 0.00 1.55 0.00 0.00 36.73 38.26 1o8t h TYR 37 CO -0.15 0.61 -0.50 1.49 -1.32 0.00 0.00 178.16 178.30 1o8t h GLU 38 N 0.68 -1.16 0.00 1.82 4.22 -0.24 -2.50 114.58 117.40 1o8t h GLU 38 Ca 0.15 0.08 0.00 0.00 0.08 0.00 0.00 59.36 59.67 1o8t h GLU 38 Cb 0.26 0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1o8t h GLU 38 CO -0.00 -0.77 0.00 1.63 -2.18 0.00 0.00 179.01 177.69 1o8t n LYS 39 N -5.60 0.01 0.30 1.92 4.76 -0.23 -2.86 118.16 116.46 1o8t n LYS 39 Ca -0.15 0.39 -0.14 0.00 -2.87 0.00 0.00 58.31 55.54 1o8t n LYS 39 Cb 0.50 -1.50 -0.07 0.00 -1.84 0.00 0.00 35.03 32.12 1o8t n LYS 39 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1o8t h THR 40 N 0.00 0.16 -0.53 -0.18 2.02 -1.28 -3.29 112.91 109.81 1o8t h THR 40 Ca 0.00 -0.39 -0.07 0.00 0.77 0.00 0.00 66.41 66.71 1o8t h THR 40 Cb 0.04 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.66 1o8t h THR 40 CO 0.00 0.03 0.04 0.22 0.37 0.00 0.00 175.52 176.17 1o8t h TYR 41 N -1.13 0.98 -3.87 3.16 5.03 -1.62 -3.44 116.97 116.08 1o8t h TYR 41 Ca -0.08 -0.16 -0.50 0.00 2.58 0.00 0.00 58.73 60.58 1o8t h TYR 41 Cb 0.65 -0.26 0.02 0.00 1.55 0.00 0.00 36.73 38.69 1o8t h TYR 41 CO 0.01 0.89 0.45 -0.51 -1.32 0.00 0.00 178.16 177.68 1o8t s LEU 42 N -9.43 4.38 -0.40 2.82 1.02 -1.17 -4.96 118.68 110.95 1o8t s LEU 42 Ca -0.12 2.19 -0.00 0.00 0.02 0.00 0.00 54.13 56.22 1o8t s LEU 42 Cb 0.12 -3.85 0.34 0.00 0.02 0.00 0.00 46.19 42.82 1o8t s LEU 42 CO 0.82 -0.30 1.90 -0.81 0.02 0.00 0.00 176.35 177.98 1o8t n PRO 43 N 0.67 2.02 0.20 1.29 -0.04 -1.26 -4.57 135.00 133.32 1o8t n PRO 43 Ca 0.01 -2.10 0.14 0.00 -0.04 0.00 0.00 63.50 61.52 1o8t n PRO 43 Cb 0.47 -1.82 0.67 0.00 -0.04 0.00 0.00 33.50 32.77 1o8t n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1o8t h ALA 44 N 1.56 1.00 -0.81 0.55 0.00 -1.93 -3.27 119.26 116.36 1o8t h ALA 44 Ca 0.40 0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.49 1o8t h ALA 44 Cb 1.28 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.92 1o8t h ALA 44 CO 0.95 0.00 -0.13 -0.39 0.00 0.00 0.00 179.25 179.68 1o8t h VAL 45 N 0.00 0.22 -0.01 0.00 -1.51 -1.90 0.59 116.25 113.64 1o8t h VAL 45 Ca 0.00 -0.01 -0.21 0.00 -1.23 0.00 0.00 66.70 65.26 1o8t h VAL 45 Cb 0.23 0.19 -0.00 0.00 -2.13 0.00 0.00 31.29 29.58 1o8t h VAL 45 CO 0.00 0.00 -0.88 0.44 -1.23 0.00 0.00 177.57 175.90 1o8t h ASP 46 N 0.02 0.40 0.13 4.19 3.32 -1.98 -2.73 116.42 119.77 1o8t h ASP 46 Ca 0.41 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1o8t h ASP 46 Cb 0.67 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1o8t h ASP 46 CO -0.80 1.10 -0.06 -0.33 -1.72 0.00 0.00 179.24 177.43 1o8t h GLU 47 N 0.18 -0.17 0.00 3.56 3.07 -1.11 -2.93 114.58 117.18 1o8t h GLU 47 Ca -0.06 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 1o8t h GLU 47 Cb 1.50 0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 29.45 1o8t h GLU 47 CO 0.14 0.19 -0.06 0.87 -1.40 0.00 0.00 179.01 178.76 1o8t h LYS 48 N -0.55 0.00 0.66 2.33 1.57 -0.03 0.51 116.57 121.05 1o8t h LYS 48 Ca -0.02 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1o8t h LYS 48 Cb 0.44 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.75 1o8t h LYS 48 CO 0.03 0.06 -0.31 1.25 -0.57 0.00 0.00 179.45 179.91 1o8t h LEU 49 N 0.00 -0.75 -1.58 2.94 5.85 -1.32 -1.14 115.31 119.31 1o8t h LEU 49 Ca -0.00 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1o8t h LEU 49 Cb 0.17 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1o8t h LEU 49 CO 0.01 -0.47 -0.08 0.03 -0.34 0.00 0.00 178.44 177.59 1o8t h ARG 50 N -1.01 0.16 0.62 1.25 -0.00 -1.37 -2.26 114.38 111.77 1o8t h ARG 50 Ca -0.09 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.98 59.34 1o8t h ARG 50 Cb 0.67 -0.03 -0.02 0.00 0.00 0.00 0.00 29.97 30.60 1o8t h ARG 50 CO 0.15 0.26 -0.51 0.22 0.00 0.00 0.00 179.97 180.09 1o8t h ASP 51 N 0.16 -1.35 0.28 7.04 3.58 -0.75 -0.65 116.42 124.73 1o8t h ASP 51 Ca 0.04 0.10 -0.03 0.00 0.42 0.00 0.00 57.03 57.56 1o8t h ASP 51 Cb 0.26 0.43 -0.00 0.00 1.72 0.00 0.00 39.33 41.73 1o8t h ASP 51 CO 0.01 -0.71 -0.12 -0.07 -2.88 0.00 0.00 179.24 175.48 1o8t h LEU 52 N -1.09 0.00 -0.31 2.28 4.07 -1.10 -2.65 115.31 116.51 1o8t h LEU 52 Ca -0.08 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.81 1o8t h LEU 52 Cb 0.92 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.65 1o8t h LEU 52 CO -0.00 0.12 -0.07 1.88 -1.08 0.00 0.00 178.44 179.28 1o8t h TYR 53 N 0.00 0.68 -0.14 1.13 -1.99 -0.82 -0.90 116.97 114.92 1o8t h TYR 53 Ca -0.00 -0.14 -0.00 0.00 2.00 0.00 0.00 58.73 60.58 1o8t h TYR 53 Cb 0.29 -0.16 -0.01 0.00 2.00 0.00 0.00 36.73 38.85 1o8t h TYR 53 CO 0.00 0.78 0.09 1.03 -0.00 0.00 0.00 178.16 180.06 1o8t h SER 54 N 0.37 0.18 -0.64 3.88 0.87 -0.78 -2.48 113.55 114.95 1o8t h SER 54 Ca 0.08 -0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 1o8t h SER 54 Cb 0.56 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.45 1o8t h SER 54 CO 0.03 0.18 0.34 0.11 -0.53 0.00 0.00 176.83 176.96 1o8t h LYS 55 N 0.16 0.91 0.00 2.24 1.57 -1.51 -2.30 116.57 117.63 1o8t h LYS 55 Ca 0.05 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1o8t h LYS 55 Cb 0.04 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.18 1o8t h LYS 55 CO -0.01 0.70 0.00 0.77 -0.57 0.00 0.00 179.45 180.34 1o8t h SER 56 N 0.88 0.00 0.59 0.86 0.02 -0.92 -1.22 113.55 113.76 1o8t h SER 56 Ca 0.23 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 1o8t h SER 56 Cb 0.07 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1o8t h SER 56 CO -0.03 0.00 -0.38 0.74 -1.14 0.00 0.00 176.83 176.02 1o8t h THR 57 N 0.00 0.24 0.11 -2.27 2.02 -0.95 -1.23 112.91 110.82 1o8t h THR 57 Ca 0.00 0.00 -0.31 0.00 0.77 0.00 0.00 66.41 66.87 1o8t h THR 57 Cb 0.13 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 1o8t h THR 57 CO 0.00 0.00 -1.66 0.00 0.37 0.00 0.00 175.52 174.23 1o8t h ALA 58 N -0.60 0.29 0.81 6.16 0.00 -1.70 -3.26 119.26 120.96 1o8t h ALA 58 Ca -0.07 -1.23 -0.04 0.00 0.00 0.00 0.00 54.91 53.56 1o8t h ALA 58 Cb 0.75 0.61 0.01 0.00 0.00 0.00 0.00 17.79 19.16 1o8t h ALA 58 CO 0.06 1.02 -0.39 0.00 0.00 0.00 0.00 179.25 179.95 1o8t h ALA 59 N -0.05 -1.16 0.00 0.00 0.00 -1.33 -3.07 119.26 113.64 1o8t h ALA 59 Ca -0.36 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 1o8t h ALA 59 Cb 1.84 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 20.05 1o8t h ALA 59 CO 0.04 -1.09 -0.03 1.98 0.00 0.00 0.00 179.25 180.16 1o8t h MET 60 N -1.20 0.00 0.00 0.00 4.05 -1.38 -1.76 114.93 114.65 1o8t h MET 60 Ca -0.11 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.31 1o8t h MET 60 Cb 0.83 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.63 1o8t h MET 60 CO 0.18 0.03 0.00 1.03 0.23 0.00 0.00 176.91 178.38 1o8t h SER 61 N 0.00 0.00 0.00 1.39 0.87 -1.49 0.90 113.55 115.22 1o8t h SER 61 Ca -0.00 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.36 1o8t h SER 61 Cb 0.12 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.05 1o8t h SER 61 CO 0.00 0.00 -1.31 0.41 -0.53 0.00 0.00 176.83 175.40 1o8t n THR 62 N -2.64 1.50 0.29 2.23 -1.04 -0.67 -4.09 114.28 109.87 1o8t n THR 62 Ca 0.00 -0.02 0.15 0.00 -2.04 0.00 0.00 64.05 62.13 1o8t n THR 62 Cb 0.20 -2.12 0.69 0.00 -1.82 0.00 0.00 70.33 67.28 1o8t n THR 62 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 1o8t h TYR 63 N -1.00 0.00 0.49 -1.42 3.20 -1.51 -1.30 116.97 115.43 1o8t h TYR 63 Ca -0.31 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.54 1o8t h TYR 63 Cb 1.15 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.43 1o8t h TYR 63 CO -0.06 0.00 -0.24 1.15 -1.64 0.00 0.00 178.16 177.37 1o8t h THR 64 N 0.00 0.13 -0.58 1.81 2.02 -0.98 0.69 112.91 116.00 1o8t h THR 64 Ca 0.00 -0.53 -0.06 0.00 0.77 0.00 0.00 66.41 66.59 1o8t h THR 64 Cb 0.22 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 66.80 1o8t h THR 64 CO 0.00 0.03 0.12 1.23 0.37 0.00 0.00 175.52 177.26 1o8t h GLY 65 N -1.13 0.99 0.79 2.16 0.00 -1.68 -1.20 103.07 103.00 1o8t h GLY 65 Ca -0.07 -0.60 -0.04 0.00 0.00 0.00 0.00 47.33 46.62 1o8t h GLY 65 CO 0.11 0.56 -0.38 -2.22 0.00 0.00 0.00 176.54 174.61 1o8t h ILE 66 N 0.87 0.00 -0.24 2.60 1.08 -1.27 0.93 117.51 121.49 1o8t h ILE 66 Ca 0.18 -0.18 0.06 0.00 -0.39 0.00 0.00 64.86 64.54 1o8t h ILE 66 Cb 0.35 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.03 1o8t h ILE 66 CO 0.00 0.00 -0.31 0.15 -0.69 0.00 0.00 178.15 177.31 1o8t h PHE 67 N -1.24 -0.84 0.00 1.37 3.57 0.43 0.73 116.94 120.96 1o8t h PHE 67 Ca -0.11 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 1o8t h PHE 67 Cb 0.81 0.40 -0.00 0.00 2.79 0.00 0.00 35.95 39.96 1o8t h PHE 67 CO 0.01 -0.38 -0.04 1.15 -2.23 0.00 0.00 178.31 176.82 1o8t h THR 68 N -0.32 0.20 0.47 4.41 2.02 -1.27 -2.89 112.91 115.52 1o8t h THR 68 Ca 0.13 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 1o8t h THR 68 Cb 0.52 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 1o8t h THR 68 CO -0.42 0.04 -0.36 -0.78 0.37 0.00 0.00 175.52 174.37 1o8t h ASP 69 N 0.00 -0.95 0.74 4.18 1.82 0.17 0.19 116.42 122.57 1o8t h ASP 69 Ca -0.00 0.07 -0.05 0.00 -0.39 0.00 0.00 57.03 56.66 1o8t h ASP 69 Cb 0.27 0.30 -0.01 0.00 0.68 0.00 0.00 39.33 40.57 1o8t h ASP 69 CO 0.01 -0.53 -0.24 0.06 -1.61 0.00 0.00 179.24 176.92 1o8t h GLN 70 N -0.82 0.00 0.27 0.28 -0.00 -1.45 -2.08 115.11 111.32 1o8t h GLN 70 Ca -0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.59 1o8t h GLN 70 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.18 1o8t h GLN 70 CO 0.00 0.24 -0.13 0.28 -0.00 0.00 0.00 178.83 179.22 1o8t h VAL 71 N 0.00 0.74 -0.69 1.86 2.07 -1.24 -2.62 116.25 116.37 1o8t h VAL 71 Ca -0.00 -0.69 0.08 0.00 0.82 0.00 0.00 66.70 66.90 1o8t h VAL 71 Cb 0.68 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 1o8t h VAL 71 CO 0.03 0.14 0.46 -0.07 0.02 0.00 0.00 177.57 178.14 1o8t h LEU 72 N -0.75 0.57 -1.40 2.57 3.38 -0.59 0.08 115.31 119.17 1o8t h LEU 72 Ca -0.04 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.00 1o8t h LEU 72 Cb 0.50 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 1o8t h LEU 72 CO 0.06 0.36 0.46 0.77 0.09 0.00 0.00 178.44 180.17 1o8t h SER 73 N 0.64 0.64 1.12 -0.43 4.64 -1.18 0.15 113.55 119.12 1o8t h SER 73 Ca 0.31 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1o8t h SER 73 Cb 0.37 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1o8t h SER 73 CO -0.10 0.42 -0.01 0.58 -0.87 0.00 0.00 176.83 176.85 1o8t h VAL 74 N 0.74 0.03 -0.51 0.95 2.07 -0.60 -2.85 116.25 116.06 1o8t h VAL 74 Ca 0.29 -0.59 -0.06 0.00 0.82 0.00 0.00 66.70 67.16 1o8t h VAL 74 Cb 0.22 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1o8t h VAL 74 CO -0.09 0.01 0.07 0.25 0.02 0.00 0.00 177.57 177.82 1o8t h LEU 75 N 0.00 0.77 -0.48 2.57 6.46 -0.55 -2.28 115.31 121.80 1o8t h LEU 75 Ca -0.00 -0.16 -0.16 0.00 -0.12 0.00 0.00 57.88 57.43 1o8t h LEU 75 Cb 0.57 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 40.29 1o8t h LEU 75 CO 0.00 0.80 -0.54 0.11 -0.62 0.00 0.00 178.44 178.20 1o8t h LYS 76 N 0.78 0.63 -0.02 1.25 1.57 -1.48 0.87 116.57 120.17 1o8t h LYS 76 Ca 0.16 -0.39 -0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1o8t h LYS 76 Cb 0.38 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 1o8t h LYS 76 CO 0.01 1.01 0.00 0.78 -0.57 0.00 0.00 179.45 180.68 1o8t h GLY 77 N 0.98 0.04 0.00 3.86 0.00 -1.48 -3.41 103.07 103.06 1o8t h GLY 77 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1o8t h GLY 77 CO 0.11 0.03 -0.42 1.18 0.00 0.00 0.00 176.54 177.43 1o8t n GLU 78 N -4.94 0.22 -0.88 4.80 4.71 -0.89 -5.14 120.64 118.52 1o8t n GLU 78 Ca -0.07 0.09 0.00 0.00 -0.01 0.00 0.00 57.16 57.17 1o8t n GLU 78 Cb 0.15 -0.85 0.00 0.00 -1.01 0.00 0.00 31.44 29.73 1o8t n GLU 78 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31