#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 0.57 0.66 -2.82 1.11 -1.26 -5.13 119.66 112.80 1o8t s GLN 2 Ca 0.00 -0.23 -0.09 0.00 0.01 0.00 0.00 55.36 55.05 1o8t s GLN 2 Cb 0.00 -0.56 0.02 0.00 -1.01 0.00 0.00 33.01 31.46 1o8t s GLN 2 CO 0.00 0.13 1.01 -0.65 0.01 0.00 0.00 175.29 175.79 1o8t s GLN 3 N -0.07 2.76 0.41 2.91 -1.52 -1.26 -4.80 119.66 118.10 1o8t s GLN 3 Ca 0.01 0.17 0.17 0.00 -1.95 0.00 0.00 55.36 53.76 1o8t s GLN 3 Cb -0.04 -2.14 1.07 0.00 -0.22 0.00 0.00 33.01 31.68 1o8t s GLN 3 CO -0.00 -0.95 1.84 -1.35 -0.25 0.00 0.00 175.29 174.58 1o8t h PRO 4 N -0.47 0.41 -0.20 2.91 0.11 -2.01 0.69 132.00 133.44 1o8t h PRO 4 Ca -0.45 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.44 1o8t h PRO 4 Cb 1.27 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 32.29 1o8t h PRO 4 CO 0.62 0.27 -0.63 1.96 -0.21 0.00 0.00 178.00 180.01 1o8t h GLN 5 N 0.43 0.78 -0.46 1.05 7.50 -1.98 -1.78 115.11 120.64 1o8t h GLN 5 Ca 0.49 -0.57 -0.12 0.00 0.50 0.00 0.00 58.65 58.94 1o8t h GLN 5 Cb 1.18 0.10 -0.01 0.00 0.05 0.00 0.00 27.48 28.80 1o8t h GLN 5 CO -0.20 1.19 -0.20 1.96 -1.50 0.00 0.00 178.83 180.08 1o8t h GLN 6 N 0.51 0.93 -0.20 1.46 7.50 -1.45 -2.69 115.11 121.16 1o8t h GLN 6 Ca -0.02 -0.38 -0.13 0.00 0.50 0.00 0.00 58.65 58.62 1o8t h GLN 6 Cb 1.26 -0.04 0.00 0.00 0.05 0.00 0.00 27.48 28.75 1o8t h GLN 6 CO 0.14 1.04 -0.38 -0.44 -1.50 0.00 0.00 178.83 177.68 1o8t h ASP 7 N 0.81 0.69 0.56 1.46 3.32 -0.97 -3.10 116.42 119.18 1o8t h ASP 7 Ca 0.11 -0.54 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1o8t h ASP 7 Cb 0.76 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1o8t h ASP 7 CO 0.06 1.10 0.00 -1.84 -1.72 0.00 0.00 179.24 176.84 1o8t n GLU 8 N -4.26 0.03 0.21 3.56 -0.00 -0.67 -3.27 120.64 116.25 1o8t n GLU 8 Ca -0.06 0.27 -0.09 0.00 -0.00 0.00 0.00 57.16 57.29 1o8t n GLU 8 Cb 0.53 -1.56 -0.04 0.00 -0.00 0.00 0.00 31.44 30.36 1o8t n GLU 8 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.13 177.65 1o8t h MET 9 N 0.00 -0.55 -0.06 3.44 2.86 -1.39 -3.28 114.93 115.95 1o8t h MET 9 Ca 0.00 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1o8t h MET 9 Cb 0.28 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1o8t h MET 9 CO 0.00 -0.37 0.00 -0.35 1.06 0.00 0.00 176.91 177.25 1o8t n PRO 10 N -4.50 1.15 0.16 -0.22 -0.04 -1.24 -4.01 135.00 126.28 1o8t n PRO 10 Ca -0.07 -0.23 -0.08 0.00 -0.04 0.00 0.00 63.50 63.08 1o8t n PRO 10 Cb 0.23 -1.10 -0.04 0.00 -0.04 0.00 0.00 33.50 32.55 1o8t n PRO 10 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1o8t h SER 11 N 0.39 -0.41 0.44 3.54 0.02 -1.60 -3.35 113.55 112.58 1o8t h SER 11 Ca 0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 1o8t h SER 11 Cb 0.09 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 1o8t h SER 11 CO 0.00 0.04 -0.68 1.55 -1.14 0.00 0.00 176.83 176.59 1o8t h PRO 12 N -1.12 0.21 -6.29 3.45 0.13 -1.73 -3.42 132.00 123.22 1o8t h PRO 12 Ca -0.05 -0.17 -0.55 0.00 -0.87 0.00 0.00 66.00 64.36 1o8t h PRO 12 Cb 0.38 0.03 -0.04 0.00 0.13 0.00 0.00 31.00 31.50 1o8t h PRO 12 CO 0.08 0.81 1.21 0.99 -0.23 0.00 0.00 178.00 180.86 1o8t s THR 13 N -3.59 3.61 0.25 1.56 2.01 -1.26 -4.48 115.64 113.75 1o8t s THR 13 Ca -0.03 0.55 0.00 0.00 0.31 0.00 0.00 61.69 62.52 1o8t s THR 13 Cb 0.11 -4.03 0.00 0.00 0.01 0.00 0.00 72.50 68.60 1o8t s THR 13 CO 0.80 -0.79 0.00 0.49 -0.69 0.00 0.00 174.62 174.43 1o8t n PHE 14 N 10.39 -3.30 0.24 4.92 3.72 -1.26 -4.85 117.46 127.32 1o8t n PHE 14 Ca 0.18 0.79 0.07 0.00 -0.05 0.00 0.00 57.45 58.44 1o8t n PHE 14 Cb 0.49 2.12 0.56 0.00 -0.94 0.00 0.00 39.48 41.71 1o8t n PHE 14 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1o8t h LEU 15 N 0.00 0.00 -0.68 4.37 5.85 -1.97 -2.64 115.31 120.23 1o8t h LEU 15 Ca 0.00 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.77 1o8t h LEU 15 Cb 0.00 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 1o8t h LEU 15 CO 0.00 0.12 0.40 0.71 -0.34 0.00 0.00 178.44 179.33 1o8t h THR 16 N 0.00 1.03 -0.21 1.05 1.35 -1.91 -2.64 112.91 111.58 1o8t h THR 16 Ca -0.00 -0.26 -0.01 0.00 -0.55 0.00 0.00 66.41 65.59 1o8t h THR 16 Cb 0.22 0.19 -0.01 0.00 -1.73 0.00 0.00 68.15 66.82 1o8t h THR 16 CO 0.02 0.14 0.11 -0.61 -0.25 0.00 0.00 175.52 174.92 1o8t h GLN 17 N 0.77 0.29 -0.48 4.72 -0.00 -1.84 -3.20 115.11 115.37 1o8t h GLN 17 Ca 0.29 -0.04 0.12 0.00 -0.00 0.00 0.00 58.65 59.02 1o8t h GLN 17 Cb 0.11 -0.05 -0.09 0.00 0.00 0.00 0.00 27.48 27.45 1o8t h GLN 17 CO -0.15 0.30 -0.04 0.28 0.00 0.00 0.00 178.83 179.21 1o8t n VAL 18 N -4.87 -0.20 -0.09 2.39 0.31 -1.00 0.42 118.33 115.29 1o8t n VAL 18 Ca -0.03 1.07 -0.06 0.00 -0.01 0.00 0.00 64.34 65.31 1o8t n VAL 18 Cb 0.09 -1.53 0.00 0.00 -0.91 0.00 0.00 33.84 31.49 1o8t n VAL 18 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1o8t h LYS 19 N 0.00 -0.10 -0.06 5.55 1.57 -1.66 0.19 116.57 122.05 1o8t h LYS 19 Ca 0.26 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 59.01 1o8t h LYS 19 Cb 0.49 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1o8t h LYS 19 CO -0.47 -0.07 -0.17 0.93 -0.57 0.00 0.00 179.45 179.10 1o8t h GLU 20 N -0.11 0.09 -0.83 3.15 3.07 -0.24 -2.36 114.58 117.35 1o8t h GLU 20 Ca 0.17 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.97 1o8t h GLU 20 Cb 0.37 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.23 1o8t h GLU 20 CO -0.41 0.27 0.37 1.03 -1.40 0.00 0.00 179.01 178.86 1o8t h SER 21 N 0.09 1.12 -0.31 1.42 0.87 -0.63 -1.95 113.55 114.15 1o8t h SER 21 Ca 0.02 -0.15 -0.18 0.00 -1.23 0.00 0.00 61.79 60.24 1o8t h SER 21 Cb 0.36 -0.29 -0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1o8t h SER 21 CO 0.02 0.96 -0.52 -0.07 -0.53 0.00 0.00 176.83 176.69 1o8t h LEU 22 N 1.20 0.99 0.21 2.23 -0.00 -0.79 -2.53 115.31 116.62 1o8t h LEU 22 Ca 0.28 -0.52 -0.00 0.00 -0.00 0.00 0.00 57.88 57.64 1o8t h LEU 22 Cb 0.17 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 40.54 1o8t h LEU 22 CO -0.03 1.32 -0.14 -1.28 -0.00 0.00 0.00 178.44 178.31 1o8t h SER 23 N 0.70 -0.35 0.38 -0.43 0.87 -1.22 -0.78 113.55 112.71 1o8t h SER 23 Ca 0.02 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1o8t h SER 23 Cb 1.13 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1o8t h SER 23 CO 0.12 -0.23 0.00 0.77 -0.53 0.00 0.00 176.83 176.96 1o8t h SER 24 N -0.35 0.00 0.19 6.23 4.64 -1.41 -2.38 113.55 120.48 1o8t h SER 24 Ca -0.02 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.02 1o8t h SER 24 Cb 0.30 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.42 1o8t h SER 24 CO 0.01 0.00 -1.22 0.22 -0.87 0.00 0.00 176.83 174.97 1o8t h TYR 25 N 0.00 0.86 -0.61 4.77 3.20 -0.82 -3.32 116.97 121.05 1o8t h TYR 25 Ca 0.00 -0.61 -0.05 0.00 3.14 0.00 0.00 58.73 61.21 1o8t h TYR 25 Cb 0.19 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 1o8t h TYR 25 CO 0.00 1.46 0.16 2.35 -1.64 0.00 0.00 178.16 180.50 1o8t h TRP 26 N 0.01 0.96 -0.90 -3.82 2.91 -0.67 -0.19 115.95 114.25 1o8t h TRP 26 Ca -0.21 -0.09 0.09 0.00 1.13 0.00 0.00 58.89 59.81 1o8t h TRP 26 Cb 1.95 -0.28 -0.12 0.00 -0.51 0.00 0.00 29.16 30.20 1o8t h TRP 26 CO 0.15 0.79 -0.57 0.93 -1.03 0.00 0.00 178.44 178.71 1o8t h GLU 27 N 0.90 -0.06 0.00 2.65 3.07 -1.59 0.18 114.58 119.72 1o8t h GLU 27 Ca 0.20 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 1o8t h GLU 27 Cb 0.30 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 1o8t h GLU 27 CO -0.00 -0.04 -0.44 0.43 -1.40 0.00 0.00 179.01 177.56 1o8t n SER 28 N -5.29 0.52 0.08 1.42 7.64 -1.19 -3.95 113.62 112.84 1o8t n SER 28 Ca 0.02 0.06 0.05 0.00 1.01 0.00 0.00 58.87 60.01 1o8t n SER 28 Cb 0.29 0.03 0.47 0.00 -1.01 0.00 0.00 64.21 63.98 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 2.78 1.74 -0.33 -0.43 0.00 0.13 -2.82 119.26 120.32 1o8t h ALA 29 Ca 0.00 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.93 1o8t h ALA 29 Cb 0.61 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 1o8t h ALA 29 CO 0.00 0.22 -0.09 -0.22 0.00 0.00 0.00 179.25 179.17 1o8t h LYS 30 N 0.38 -0.01 -1.02 0.00 3.64 -1.58 0.00 116.57 117.99 1o8t h LYS 30 Ca 0.10 0.00 0.25 0.00 -1.27 0.00 0.00 60.65 59.74 1o8t h LYS 30 Cb 0.02 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 31.72 1o8t h LYS 30 CO -0.02 -0.00 0.62 1.15 -2.27 0.00 0.00 179.45 178.93 1o8t h THR 31 N -0.01 0.52 -0.57 1.00 2.02 -1.77 0.40 112.91 114.51 1o8t h THR 31 Ca 0.16 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 1o8t h THR 31 Cb 0.25 -0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.59 1o8t h THR 31 CO -0.35 0.10 0.26 0.00 0.37 0.00 0.00 175.52 175.90 1o8t h ALA 32 N 1.70 0.74 -0.09 6.16 0.00 -1.09 -1.00 119.26 125.68 1o8t h ALA 32 Ca 0.64 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.43 1o8t h ALA 32 Cb 1.33 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 1o8t h ALA 32 CO -0.43 0.31 -0.51 0.00 0.00 0.00 0.00 179.25 178.62 1o8t h ALA 33 N 1.10 -0.89 -0.34 0.00 0.00 0.30 0.48 119.26 119.93 1o8t h ALA 33 Ca 0.19 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1o8t h ALA 33 Cb 0.14 0.97 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1o8t h ALA 33 CO -0.02 -1.06 -0.04 -0.56 0.00 0.00 0.00 179.25 177.57 1o8t h GLN 34 N -0.57 0.54 0.00 0.00 3.07 -1.51 -1.81 115.11 114.83 1o8t h GLN 34 Ca 0.02 -0.13 -0.02 0.00 0.09 0.00 0.00 58.65 58.62 1o8t h GLN 34 Cb 0.65 -0.07 -0.00 0.00 0.08 0.00 0.00 27.48 28.14 1o8t h GLN 34 CO -0.39 0.59 -0.09 -0.97 0.09 0.00 0.00 178.83 178.06 1o8t h ASN 35 N 0.51 0.00 -0.40 0.06 -1.24 0.03 -1.35 115.58 113.19 1o8t h ASN 35 Ca 0.10 0.00 0.05 0.00 0.71 0.00 0.00 56.30 57.17 1o8t h ASN 35 Cb 0.38 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.39 1o8t h ASN 35 CO 0.02 0.09 0.13 0.25 -1.29 0.00 0.00 177.43 176.62 1o8t h LEU 36 N 0.00 0.13 -0.93 0.34 6.46 0.83 0.25 115.31 122.38 1o8t h LEU 36 Ca -0.00 0.05 -0.05 0.00 -0.12 0.00 0.00 57.88 57.76 1o8t h LEU 36 Cb 0.15 0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.09 1o8t h LEU 36 CO 0.01 0.11 0.23 0.22 -0.62 0.00 0.00 178.44 178.39 1o8t h TYR 37 N 0.29 1.03 0.56 1.25 3.20 -1.31 -2.60 116.97 119.39 1o8t h TYR 37 Ca 0.19 -0.08 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 1o8t h TYR 37 Cb 0.18 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.14 1o8t h TYR 37 CO -0.16 0.81 -0.36 1.49 -1.64 0.00 0.00 178.16 178.30 1o8t h GLU 38 N 0.98 -0.84 0.00 1.82 4.22 0.06 -2.60 114.58 118.21 1o8t h GLU 38 Ca 0.22 0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.72 1o8t h GLU 38 Cb 0.25 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1o8t h GLU 38 CO -0.01 -0.56 0.00 0.36 -2.18 0.00 0.00 179.01 176.62 1o8t n LYS 39 N -4.66 0.02 0.17 1.92 2.85 0.64 -2.79 118.16 116.31 1o8t n LYS 39 Ca -0.11 0.36 -0.14 0.00 -1.05 0.00 0.00 58.31 57.38 1o8t n LYS 39 Cb 0.37 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 33.17 1o8t n LYS 39 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 1o8t h THR 40 N 0.00 0.68 -0.49 0.58 2.02 -1.05 -3.19 112.91 111.46 1o8t h THR 40 Ca 0.00 -0.50 -0.09 0.00 0.77 0.00 0.00 66.41 66.59 1o8t h THR 40 Cb 0.05 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 1o8t h THR 40 CO 0.00 0.10 -0.05 1.88 0.37 0.00 0.00 175.52 177.82 1o8t h TYR 41 N -0.72 0.92 -3.92 3.16 0.05 -1.61 -3.44 116.97 111.41 1o8t h TYR 41 Ca -0.04 -0.15 -0.50 0.00 0.05 0.00 0.00 58.73 58.09 1o8t h TYR 41 Cb 0.49 -0.24 0.03 0.00 1.01 0.00 0.00 36.73 38.02 1o8t h TYR 41 CO 0.01 0.87 0.46 -0.51 -1.05 0.00 0.00 178.16 177.93 1o8t s LEU 42 N -9.14 4.26 -0.22 3.88 2.01 -1.20 -4.96 118.68 113.31 1o8t s LEU 42 Ca -0.10 2.19 0.04 0.00 0.01 0.00 0.00 54.13 56.27 1o8t s LEU 42 Cb 0.14 -3.99 0.41 0.00 0.01 0.00 0.00 46.19 42.75 1o8t s LEU 42 CO 0.83 -0.47 1.43 -0.81 1.01 0.00 0.00 176.35 178.34 1o8t n PRO 43 N 0.29 2.18 0.20 1.29 -0.04 -1.26 -4.43 135.00 133.22 1o8t n PRO 43 Ca 0.03 -1.73 0.14 0.00 -0.04 0.00 0.00 63.50 61.90 1o8t n PRO 43 Cb 0.47 -1.75 0.67 0.00 -0.04 0.00 0.00 33.50 32.85 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 1.96 1.00 -0.78 0.55 0.00 -1.93 -3.24 119.26 116.82 1o8t h ALA 44 Ca 0.25 0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.34 1o8t h ALA 44 Cb 1.84 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 19.50 1o8t h ALA 44 CO 0.52 0.00 0.04 -0.39 0.00 0.00 0.00 179.25 179.42 1o8t h VAL 45 N 0.00 0.33 -0.06 0.00 -1.51 -1.87 0.19 116.25 113.32 1o8t h VAL 45 Ca 0.00 -0.04 -0.14 0.00 -1.23 0.00 0.00 66.70 65.29 1o8t h VAL 45 Cb 0.24 0.20 -0.01 0.00 -2.13 0.00 0.00 31.29 29.58 1o8t h VAL 45 CO 0.00 0.02 -0.58 -0.78 -1.23 0.00 0.00 177.57 175.00 1o8t h ASP 46 N 0.12 0.22 0.10 4.19 3.58 -1.96 -3.23 116.42 119.45 1o8t h ASP 46 Ca 0.44 -0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.76 1o8t h ASP 46 Cb 0.79 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.78 1o8t h ASP 46 CO -0.67 0.75 -0.05 -0.08 -2.88 0.00 0.00 179.24 176.32 1o8t h GLU 47 N 0.15 -0.13 -0.50 0.28 4.57 -0.92 -3.08 114.58 114.95 1o8t h GLU 47 Ca -0.00 0.01 0.14 0.00 -1.18 0.00 0.00 59.36 58.33 1o8t h GLU 47 Cb 1.06 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.66 1o8t h GLU 47 CO 0.09 0.23 0.44 0.87 -1.18 0.00 0.00 179.01 179.46 1o8t h LYS 48 N -0.51 0.00 0.48 1.92 6.56 -1.04 0.35 116.57 124.34 1o8t h LYS 48 Ca -0.01 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.55 1o8t h LYS 48 Cb 0.42 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.09 1o8t h LYS 48 CO 0.02 0.00 -0.23 -0.07 -2.06 0.00 0.00 179.45 177.11 1o8t h LEU 49 N 0.00 -0.55 -1.42 2.94 3.38 -1.55 -0.59 115.31 117.53 1o8t h LEU 49 Ca 0.24 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 1o8t h LEU 49 Cb 1.12 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 1o8t h LEU 49 CO -0.00 -0.34 0.02 0.03 0.09 0.00 0.00 178.44 178.23 1o8t h ARG 50 N -0.74 0.40 0.63 1.13 2.47 -1.49 -1.13 114.38 115.66 1o8t h ARG 50 Ca -0.07 -0.07 -0.02 0.00 -1.26 0.00 0.00 59.98 58.56 1o8t h ARG 50 Cb 0.49 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.73 1o8t h ARG 50 CO 0.11 0.42 -0.50 -0.44 0.56 0.00 0.00 179.97 180.11 1o8t h ASP 51 N 0.39 -1.34 0.92 7.04 3.32 -0.24 -2.33 116.42 124.18 1o8t h ASP 51 Ca 0.09 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1o8t h ASP 51 Cb 0.23 0.42 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1o8t h ASP 51 CO 0.00 -0.71 0.00 -0.07 -1.72 0.00 0.00 179.24 176.75 1o8t h LEU 52 N -1.09 0.00 -0.15 1.55 4.07 -1.01 -3.15 115.31 115.53 1o8t h LEU 52 Ca -0.08 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.85 1o8t h LEU 52 Cb 0.92 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.65 1o8t h LEU 52 CO 0.01 0.00 -0.04 1.88 -1.08 0.00 0.00 178.44 179.21 1o8t h TYR 53 N 0.00 0.32 -0.12 1.13 -1.99 -0.69 0.20 116.97 115.83 1o8t h TYR 53 Ca 0.00 -0.07 -0.00 0.00 2.00 0.00 0.00 58.73 60.66 1o8t h TYR 53 Cb 0.46 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 39.10 1o8t h TYR 53 CO 0.00 0.57 0.07 0.66 -0.00 0.00 0.00 178.16 179.46 1o8t h SER 54 N -0.01 0.15 -0.42 3.88 4.64 -1.41 -0.34 113.55 120.03 1o8t h SER 54 Ca 0.04 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1o8t h SER 54 Cb 0.46 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 1o8t h SER 54 CO 0.01 0.16 0.22 0.11 -0.87 0.00 0.00 176.83 176.46 1o8t h LYS 55 N 0.13 0.60 -0.53 4.77 1.57 -1.60 -3.07 116.57 118.45 1o8t h LYS 55 Ca 0.04 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1o8t h LYS 55 Cb 0.03 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1o8t h LYS 55 CO -0.01 0.49 0.23 0.77 -0.57 0.00 0.00 179.45 180.36 1o8t h SER 56 N 0.55 0.71 -0.43 0.86 0.02 -0.78 0.13 113.55 114.61 1o8t h SER 56 Ca 0.15 -0.15 0.05 0.00 -0.84 0.00 0.00 61.79 60.99 1o8t h SER 56 Cb 0.08 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 1o8t h SER 56 CO -0.02 0.67 0.29 0.71 -1.14 0.00 0.00 176.83 177.33 1o8t h THR 57 N 0.71 0.98 0.00 -2.27 1.35 -0.97 0.34 112.91 113.05 1o8t h THR 57 Ca 0.18 -0.13 -0.13 0.00 -0.55 0.00 0.00 66.41 65.78 1o8t h THR 57 Cb 0.16 0.58 -0.02 0.00 -1.73 0.00 0.00 68.15 67.14 1o8t h THR 57 CO -0.02 0.07 -0.82 0.00 -0.25 0.00 0.00 175.52 174.50 1o8t h ALA 58 N 1.77 0.14 0.81 6.62 0.00 -1.42 -3.27 119.26 123.91 1o8t h ALA 58 Ca 0.18 -0.86 -0.04 0.00 0.00 0.00 0.00 54.91 54.20 1o8t h ALA 58 Cb 0.25 0.54 0.01 0.00 0.00 0.00 0.00 17.79 18.58 1o8t h ALA 58 CO -0.04 0.52 -0.39 0.00 0.00 0.00 0.00 179.25 179.33 1o8t h ALA 59 N -0.60 -1.09 0.00 0.00 0.00 -0.70 -2.91 119.26 113.96 1o8t h ALA 59 Ca -0.19 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1o8t h ALA 59 Cb 0.97 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1o8t h ALA 59 CO -0.12 -1.05 0.00 -0.12 0.00 0.00 0.00 179.25 177.97 1o8t n MET 60 N -5.52 0.08 0.29 0.00 1.56 0.12 -2.06 117.12 111.59 1o8t n MET 60 Ca -0.14 0.53 0.19 0.00 -0.27 0.00 0.00 57.70 58.00 1o8t n MET 60 Cb 0.44 -1.72 0.84 0.00 2.15 0.00 0.00 33.22 34.93 1o8t n MET 60 CO 0.00 0.00 0.00 0.77 -0.73 0.00 0.00 175.97 176.01 1o8t h SER 61 N 0.00 0.00 0.00 6.12 0.02 -1.56 0.27 113.55 118.40 1o8t h SER 61 Ca 0.00 0.00 -0.41 0.00 -0.84 0.00 0.00 61.79 60.54 1o8t h SER 61 Cb 0.06 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.54 1o8t h SER 61 CO 0.00 0.00 -2.40 0.35 -1.14 0.00 0.00 176.83 173.64 1o8t n THR 62 N -3.05 1.37 0.30 -2.27 -2.24 -0.88 -4.38 114.28 103.14 1o8t n THR 62 Ca -0.00 -0.37 0.17 0.00 -2.27 0.00 0.00 64.05 61.57 1o8t n THR 62 Cb 0.23 -1.77 0.82 0.00 -2.10 0.00 0.00 70.33 67.51 1o8t n THR 62 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 1o8t h TYR 63 N -0.77 0.00 0.41 4.78 0.05 -1.57 -0.97 116.97 118.90 1o8t h TYR 63 Ca -0.62 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.14 1o8t h TYR 63 Cb 1.59 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.34 1o8t h TYR 63 CO -0.07 0.00 -0.19 1.15 -1.05 0.00 0.00 178.16 178.00 1o8t h THR 64 N 0.00 0.33 -0.64 -2.88 2.02 -1.15 0.67 112.91 111.27 1o8t h THR 64 Ca 0.00 -0.63 -0.06 0.00 0.77 0.00 0.00 66.41 66.49 1o8t h THR 64 Cb 0.24 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 1o8t h THR 64 CO 0.00 0.07 0.16 1.23 0.37 0.00 0.00 175.52 177.35 1o8t h GLY 65 N -1.02 1.08 0.83 2.16 0.00 -1.73 -1.11 103.07 103.28 1o8t h GLY 65 Ca -0.06 -0.65 -0.04 0.00 0.00 0.00 0.00 47.33 46.59 1o8t h GLY 65 CO 0.09 0.60 -0.39 -2.22 0.00 0.00 0.00 176.54 174.62 1o8t h ILE 66 N 0.96 0.03 -0.22 2.60 2.04 -1.20 0.13 117.51 121.84 1o8t h ILE 66 Ca 0.20 -0.19 0.06 0.00 1.00 0.00 0.00 64.86 65.94 1o8t h ILE 66 Cb 0.33 0.03 -0.07 0.00 -0.74 0.00 0.00 36.82 36.37 1o8t h ILE 66 CO -0.00 0.00 -0.32 0.15 0.00 0.00 0.00 178.15 177.98 1o8t h PHE 67 N -1.28 -0.88 0.00 1.37 3.57 0.39 0.52 116.94 120.63 1o8t h PHE 67 Ca -0.11 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 1o8t h PHE 67 Cb 0.84 0.42 -0.00 0.00 2.79 0.00 0.00 35.95 40.00 1o8t h PHE 67 CO -0.00 -0.39 -0.07 1.15 -2.23 0.00 0.00 178.31 176.77 1o8t h THR 68 N -0.34 0.37 0.16 4.41 2.02 -1.25 -2.86 112.91 115.42 1o8t h THR 68 Ca 0.12 -0.42 0.01 0.00 0.77 0.00 0.00 66.41 66.89 1o8t h THR 68 Cb 0.54 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 1o8t h THR 68 CO -0.41 0.07 -0.19 -0.78 0.37 0.00 0.00 175.52 174.58 1o8t h ASP 69 N 0.00 -0.52 0.61 4.18 1.82 0.16 0.28 116.42 122.96 1o8t h ASP 69 Ca -0.00 0.05 -0.08 0.00 -0.39 0.00 0.00 57.03 56.61 1o8t h ASP 69 Cb 0.30 0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.48 1o8t h ASP 69 CO 0.01 -0.28 -0.38 1.56 -1.61 0.00 0.00 179.24 178.54 1o8t h GLN 70 N -0.40 0.00 0.24 0.28 7.50 -1.37 -1.69 115.11 119.68 1o8t h GLN 70 Ca 0.01 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.15 1o8t h GLN 70 Cb 0.39 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.92 1o8t h GLN 70 CO -0.07 0.38 -0.12 0.28 -1.50 0.00 0.00 178.83 177.80 1o8t h VAL 71 N 0.00 0.80 -0.62 -0.54 2.07 -1.20 -2.49 116.25 114.27 1o8t h VAL 71 Ca -0.00 -0.71 0.08 0.00 0.82 0.00 0.00 66.70 66.89 1o8t h VAL 71 Cb 0.79 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 1o8t h VAL 71 CO 0.05 0.14 0.41 0.25 0.02 0.00 0.00 177.57 178.45 1o8t h LEU 72 N -0.72 0.47 -0.96 2.57 6.46 -0.42 -0.64 115.31 122.07 1o8t h LEU 72 Ca -0.03 0.01 0.05 0.00 -0.12 0.00 0.00 57.88 57.78 1o8t h LEU 72 Cb 0.49 -0.09 -0.06 0.00 -0.73 0.00 0.00 40.66 40.26 1o8t h LEU 72 CO 0.06 0.29 0.62 -1.28 -0.62 0.00 0.00 178.44 177.51 1o8t h SER 73 N 0.53 1.01 0.96 1.25 0.87 -1.05 0.49 113.55 117.60 1o8t h SER 73 Ca 0.28 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 1o8t h SER 73 Cb 0.41 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1o8t h SER 73 CO -0.08 0.67 0.00 -0.37 -0.53 0.00 0.00 176.83 176.51 1o8t h VAL 74 N 1.16 0.00 -0.64 2.23 -1.51 -0.67 -2.91 116.25 113.91 1o8t h VAL 74 Ca 0.40 -0.39 -0.07 0.00 -1.23 0.00 0.00 66.70 65.41 1o8t h VAL 74 Cb 0.10 1.26 -0.03 0.00 -2.13 0.00 0.00 31.29 30.49 1o8t h VAL 74 CO -0.15 0.00 0.14 0.25 -1.23 0.00 0.00 177.57 176.58 1o8t h LEU 75 N 0.00 0.96 -0.28 4.19 5.85 -0.69 -0.96 115.31 124.38 1o8t h LEU 75 Ca 0.00 -0.20 -0.17 0.00 0.84 0.00 0.00 57.88 58.35 1o8t h LEU 75 Cb 0.48 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1o8t h LEU 75 CO 0.00 0.94 -0.50 0.11 -0.34 0.00 0.00 178.44 178.65 1o8t h LYS 76 N 0.96 0.83 0.17 1.25 6.56 -1.50 0.12 116.57 124.96 1o8t h LYS 76 Ca 0.20 -0.52 -0.01 0.00 -1.06 0.00 0.00 60.65 59.26 1o8t h LYS 76 Cb 0.37 0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.09 1o8t h LYS 76 CO 0.00 1.15 -0.08 0.78 -2.06 0.00 0.00 179.45 179.25 1o8t h GLY 77 N 0.60 -0.23 0.00 3.86 0.00 -1.52 -3.39 103.07 102.39 1o8t h GLY 77 Ca 0.02 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1o8t h GLY 77 CO 0.11 -0.08 -0.08 0.83 0.00 0.00 0.00 176.54 177.32 1o8t h GLU 78 N -0.52 0.00 0.00 4.80 3.07 -1.27 -3.52 114.58 117.15 1o8t h GLU 78 Ca -0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1o8t h GLU 78 Cb 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1o8t h GLU 78 CO 0.04 0.00 0.00 -1.91 -1.40 0.00 0.00 179.01 175.74