#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 1.11 -0.34 -0.78 1.11 -1.26 -5.12 119.66 114.38 1o8t s GLN 2 Ca 0.00 -0.88 0.01 0.00 0.01 0.00 0.00 55.36 54.50 1o8t s GLN 2 Cb 0.00 -1.19 0.10 0.00 -1.01 0.00 0.00 33.01 30.92 1o8t s GLN 2 CO 0.00 0.29 0.10 -1.14 0.01 0.00 0.00 175.29 174.56 1o8t s GLN 3 N -1.28 1.11 0.00 2.91 2.00 -1.26 -4.97 119.66 118.17 1o8t s GLN 3 Ca 0.04 -1.54 0.24 0.00 -2.00 0.00 0.00 55.36 52.10 1o8t s GLN 3 Cb -0.09 -2.54 1.41 0.00 0.80 0.00 0.00 33.01 32.60 1o8t s GLN 3 CO 0.02 -0.99 1.80 -0.35 -0.50 0.00 0.00 175.29 175.27 1o8t n PRO 4 N 4.42 0.70 -2.24 1.67 -0.04 -1.26 -4.44 135.00 133.80 1o8t n PRO 4 Ca 0.02 0.01 -0.34 0.00 -0.04 0.00 0.00 63.50 63.15 1o8t n PRO 4 Cb 0.41 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.37 1o8t n PRO 4 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1o8t s GLN 5 N -2.08 3.43 0.00 0.54 -1.52 -1.26 -4.68 119.66 114.09 1o8t s GLN 5 Ca 0.34 1.40 0.00 0.00 -1.95 0.00 0.00 55.36 55.16 1o8t s GLN 5 Cb 0.17 -2.03 0.00 0.00 -0.22 0.00 0.00 33.01 30.92 1o8t s GLN 5 CO 0.29 -0.75 0.00 1.04 -0.25 0.00 0.00 175.29 175.62 1o8t n GLN 6 N -1.49 0.00 -2.12 2.91 3.00 -1.26 -3.37 117.38 115.05 1o8t n GLN 6 Ca 0.10 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.78 1o8t n GLN 6 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.72 1o8t n GLN 6 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1o8t s ASP 7 N -0.87 5.35 1.21 1.08 -1.08 -1.26 -4.97 116.67 116.12 1o8t s ASP 7 Ca 0.00 -0.53 -0.18 0.00 -0.52 0.00 0.00 52.55 51.32 1o8t s ASP 7 Cb 0.00 -2.55 0.26 0.00 -1.46 0.00 0.00 42.92 39.17 1o8t s ASP 7 CO 0.00 -2.51 0.95 -0.62 0.52 0.00 0.00 175.17 173.51 1o8t n GLU 8 N 8.95 -2.78 -2.11 4.34 -0.58 -1.22 -4.91 120.64 122.34 1o8t n GLU 8 Ca 0.34 -1.51 -0.42 0.00 -0.42 0.00 0.00 57.16 55.14 1o8t n GLU 8 Cb 0.49 -1.40 -0.03 0.00 -0.57 0.00 0.00 31.44 29.93 1o8t n GLU 8 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1o8t s MET 9 N -5.15 4.20 0.24 3.49 -1.94 -1.26 -4.97 119.30 113.91 1o8t s MET 9 Ca 0.61 2.06 -0.30 0.00 -1.71 0.00 0.00 55.69 56.35 1o8t s MET 9 Cb -0.06 -3.93 -0.10 0.00 2.01 0.00 0.00 34.83 32.76 1o8t s MET 9 CO 0.47 -0.81 1.41 -1.25 -0.01 0.00 0.00 175.02 174.83 1o8t s PRO 10 N 3.88 4.30 -0.05 2.03 0.04 -1.26 -4.97 135.00 138.96 1o8t s PRO 10 Ca 0.69 2.25 -0.21 0.00 0.04 0.00 0.00 61.00 63.76 1o8t s PRO 10 Cb -0.31 -3.12 -0.16 0.00 0.04 0.00 0.00 34.50 30.95 1o8t s PRO 10 CO 0.26 -0.37 0.89 0.77 0.04 0.00 0.00 177.00 178.59 1o8t h SER 11 N 5.02 -0.17 -1.74 6.66 0.02 -2.05 -3.46 113.55 117.83 1o8t h SER 11 Ca -0.46 -0.38 -0.07 0.00 -0.84 0.00 0.00 61.79 60.05 1o8t h SER 11 Cb 1.22 0.04 0.03 0.00 0.14 0.00 0.00 62.40 63.83 1o8t h SER 11 CO 0.77 0.39 0.01 -0.81 -1.14 0.00 0.00 176.83 176.06 1o8t n PRO 12 N -4.91 -1.52 -2.17 3.45 -0.04 -1.26 -4.89 135.00 123.65 1o8t n PRO 12 Ca -0.08 -0.29 -0.41 0.00 -0.04 0.00 0.00 63.50 62.68 1o8t n PRO 12 Cb 0.27 -0.28 -0.03 0.00 -0.04 0.00 0.00 33.50 33.42 1o8t n PRO 12 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1o8t s THR 13 N -1.31 3.59 0.20 0.52 -4.23 -1.26 -4.68 115.64 108.47 1o8t s THR 13 Ca 0.12 0.52 0.00 0.00 -1.18 0.00 0.00 61.69 61.15 1o8t s THR 13 Cb -0.01 -4.04 0.00 0.00 1.34 0.00 0.00 72.50 69.79 1o8t s THR 13 CO 0.09 -0.82 0.00 0.49 -0.54 0.00 0.00 174.62 173.84 1o8t n PHE 14 N 10.55 -1.42 0.24 3.99 3.01 -1.26 -4.83 117.46 127.75 1o8t n PHE 14 Ca 0.18 0.25 0.08 0.00 1.01 0.00 0.00 57.45 58.97 1o8t n PHE 14 Cb 0.49 0.35 0.60 0.00 -0.01 0.00 0.00 39.48 40.91 1o8t n PHE 14 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1o8t h LEU 15 N 0.00 0.00 -2.20 4.37 4.07 -1.92 -2.30 115.31 117.34 1o8t h LEU 15 Ca 0.00 0.00 0.04 0.00 0.08 0.00 0.00 57.88 58.00 1o8t h LEU 15 Cb 0.04 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 1o8t h LEU 15 CO 0.00 0.11 0.14 0.71 -1.08 0.00 0.00 178.44 178.33 1o8t h THR 16 N 0.00 0.63 -0.66 0.22 1.35 -1.93 -1.74 112.91 110.79 1o8t h THR 16 Ca -0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.84 1o8t h THR 16 Cb 0.22 0.89 -0.03 0.00 -1.73 0.00 0.00 68.15 67.50 1o8t h THR 16 CO 0.01 0.00 0.31 -0.61 -0.25 0.00 0.00 175.52 174.99 1o8t h GLN 17 N 0.00 0.93 -0.50 4.72 -0.00 -1.74 -3.20 115.11 115.31 1o8t h GLN 17 Ca 0.07 -0.12 0.20 0.00 -0.00 0.00 0.00 58.65 58.80 1o8t h GLN 17 Cb 0.36 -0.17 -0.09 0.00 0.00 0.00 0.00 27.48 27.57 1o8t h GLN 17 CO -0.00 0.72 0.22 1.55 0.00 0.00 0.00 178.83 181.32 1o8t n VAL 18 N -4.34 -0.21 -0.13 2.39 3.14 -0.66 0.13 118.33 118.65 1o8t n VAL 18 Ca 0.06 1.03 -0.05 0.00 -2.96 0.00 0.00 64.34 62.42 1o8t n VAL 18 Cb 0.13 -1.64 0.02 0.00 -1.06 0.00 0.00 33.84 31.29 1o8t n VAL 18 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 1o8t h LYS 19 N 0.00 -0.00 0.00 1.45 1.79 -1.79 0.02 116.57 118.04 1o8t h LYS 19 Ca 0.40 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.83 1o8t h LYS 19 Cb 1.03 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.67 1o8t h LYS 19 CO -0.40 -0.00 -0.19 1.49 -1.08 0.00 0.00 179.45 179.27 1o8t h GLU 20 N -0.00 0.00 -0.56 3.15 4.22 -0.58 -2.08 114.58 118.73 1o8t h GLU 20 Ca 0.20 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.61 1o8t h GLU 20 Cb 0.30 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1o8t h GLU 20 CO -0.43 0.19 0.25 0.77 -2.18 0.00 0.00 179.01 177.61 1o8t h SER 21 N 0.00 0.75 -0.22 1.04 0.02 -0.99 -1.29 113.55 112.86 1o8t h SER 21 Ca -0.00 -0.15 -0.17 0.00 -0.84 0.00 0.00 61.79 60.63 1o8t h SER 21 Cb 0.36 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 1o8t h SER 21 CO 0.02 0.69 -0.51 -0.07 -1.14 0.00 0.00 176.83 175.83 1o8t h LEU 22 N 0.76 0.89 0.17 5.07 4.07 -0.99 -2.75 115.31 122.53 1o8t h LEU 22 Ca 0.19 -0.46 -0.00 0.00 0.08 0.00 0.00 57.88 57.69 1o8t h LEU 22 Cb 0.16 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.64 1o8t h LEU 22 CO -0.02 1.23 -0.12 -1.28 -1.08 0.00 0.00 178.44 177.18 1o8t h SER 23 N 0.63 -0.30 0.37 -0.43 0.87 -1.14 0.50 113.55 114.05 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 1.10 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1o8t h SER 23 CO 0.11 -0.19 0.00 0.77 -0.53 0.00 0.00 176.83 176.99 1o8t h SER 24 N -0.29 0.00 0.18 6.23 4.64 -1.28 -2.29 113.55 120.73 1o8t h SER 24 Ca -0.01 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.02 1o8t h SER 24 Cb 0.25 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.36 1o8t h SER 24 CO 0.01 0.00 -1.39 0.22 -0.87 0.00 0.00 176.83 174.80 1o8t h TYR 25 N 0.00 0.69 -0.56 4.77 3.20 -0.97 -3.34 116.97 120.75 1o8t h TYR 25 Ca 0.00 -0.50 -0.05 0.00 3.14 0.00 0.00 58.73 61.32 1o8t h TYR 25 Cb 0.19 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 1o8t h TYR 25 CO 0.00 1.54 0.14 -1.49 -1.64 0.00 0.00 178.16 176.71 1o8t h TRP 26 N -0.09 0.89 -0.90 -3.82 4.06 -0.44 -0.31 115.95 115.34 1o8t h TRP 26 Ca -0.27 -0.08 0.09 0.00 2.06 0.00 0.00 58.89 60.68 1o8t h TRP 26 Cb 1.93 -0.26 -0.11 0.00 -1.00 0.00 0.00 29.16 29.72 1o8t h TRP 26 CO 0.14 0.75 -0.58 0.93 -3.56 0.00 0.00 178.44 176.12 1o8t h GLU 27 N 0.83 -0.07 -0.00 0.49 3.07 -1.55 0.12 114.58 117.47 1o8t h GLU 27 Ca 0.18 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 1o8t h GLU 27 Cb 0.30 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 1o8t h GLU 27 CO -0.00 -0.04 -0.43 0.43 -1.40 0.00 0.00 179.01 177.56 1o8t n SER 28 N -5.28 0.54 0.26 1.42 7.64 -1.20 -4.05 113.62 112.95 1o8t n SER 28 Ca 0.01 -0.30 0.08 0.00 1.01 0.00 0.00 58.87 59.68 1o8t n SER 28 Cb 0.28 0.18 0.65 0.00 -1.01 0.00 0.00 64.21 64.31 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 3.10 1.89 0.01 -0.43 0.00 0.11 -3.01 119.26 120.92 1o8t h ALA 29 Ca 0.00 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1o8t h ALA 29 Cb 0.50 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 1o8t h ALA 29 CO 0.00 0.04 -0.30 -0.22 0.00 0.00 0.00 179.25 178.76 1o8t h LYS 30 N 0.00 -0.44 -1.06 0.00 3.11 -1.66 -0.85 116.57 115.68 1o8t h LYS 30 Ca -0.00 0.03 0.28 0.00 -2.81 0.00 0.00 60.65 58.15 1o8t h LYS 30 Cb 0.06 0.10 -0.10 0.00 -1.00 0.00 0.00 32.23 31.29 1o8t h LYS 30 CO 0.00 -0.29 0.68 1.79 -2.81 0.00 0.00 179.45 178.82 1o8t h THR 31 N -0.46 0.49 -0.73 1.00 1.35 -1.82 0.46 112.91 113.20 1o8t h THR 31 Ca 0.06 -0.13 -0.03 0.00 -0.55 0.00 0.00 66.41 65.77 1o8t h THR 31 Cb 0.54 0.10 -0.03 0.00 -1.73 0.00 0.00 68.15 67.03 1o8t h THR 31 CO -0.25 0.07 0.34 0.00 -0.25 0.00 0.00 175.52 175.43 1o8t h ALA 32 N 1.62 0.94 -0.14 6.62 0.00 -1.26 -0.64 119.26 126.39 1o8t h ALA 32 Ca 0.61 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.40 1o8t h ALA 32 Cb 1.59 -0.29 -0.07 0.00 0.00 0.00 0.00 17.79 19.02 1o8t h ALA 32 CO -0.30 0.50 -0.49 0.00 0.00 0.00 0.00 179.25 178.96 1o8t h ALA 33 N 1.17 -0.76 -0.41 0.00 0.00 0.33 0.57 119.26 120.17 1o8t h ALA 33 Ca 0.25 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1o8t h ALA 33 Cb 0.13 0.92 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1o8t h ALA 33 CO -0.03 -1.02 0.01 0.37 0.00 0.00 0.00 179.25 178.58 1o8t h GLN 34 N -0.54 0.65 0.00 0.00 4.15 -1.48 -1.86 115.11 116.02 1o8t h GLN 34 Ca 0.05 -0.15 -0.02 0.00 0.77 0.00 0.00 58.65 59.31 1o8t h GLN 34 Cb 0.66 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.26 1o8t h GLN 34 CO -0.43 0.66 -0.08 -0.97 -1.93 0.00 0.00 178.83 176.08 1o8t h ASN 35 N 0.61 0.00 -0.45 -0.69 -1.24 0.49 -1.44 115.58 112.87 1o8t h ASN 35 Ca 0.13 0.00 0.06 0.00 0.71 0.00 0.00 56.30 57.19 1o8t h ASN 35 Cb 0.37 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.37 1o8t h ASN 35 CO 0.01 0.08 0.16 0.25 -1.29 0.00 0.00 177.43 176.65 1o8t h LEU 36 N 0.00 0.18 -0.98 0.34 5.85 0.95 0.15 115.31 121.79 1o8t h LEU 36 Ca -0.00 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 1o8t h LEU 36 Cb 0.15 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 1o8t h LEU 36 CO 0.01 0.14 0.21 1.88 -0.34 0.00 0.00 178.44 180.34 1o8t h TYR 37 N 0.34 0.97 0.35 1.25 0.05 -1.33 -3.04 116.97 115.56 1o8t h TYR 37 Ca 0.21 -0.08 -0.01 0.00 0.05 0.00 0.00 58.73 58.91 1o8t h TYR 37 Cb 0.20 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.63 1o8t h TYR 37 CO -0.15 0.77 -0.28 0.93 -1.05 0.00 0.00 178.16 178.37 1o8t h GLU 38 N 0.92 -0.62 0.00 4.88 3.07 -0.15 -2.10 114.58 120.59 1o8t h GLU 38 Ca 0.21 0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.11 1o8t h GLU 38 Cb 0.24 0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.29 1o8t h GLU 38 CO -0.01 -0.41 0.05 1.63 -1.40 0.00 0.00 179.01 178.87 1o8t n LYS 39 N -5.41 0.13 -0.04 2.33 4.76 0.26 -1.86 118.16 118.33 1o8t n LYS 39 Ca -0.10 0.63 -0.13 0.00 -2.87 0.00 0.00 58.31 55.84 1o8t n LYS 39 Cb 0.31 -1.99 -0.08 0.00 -1.84 0.00 0.00 35.03 31.43 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 1.38 -0.57 -0.18 2.02 -1.27 -3.25 112.91 111.04 1o8t h THR 40 Ca 0.00 -1.35 -0.08 0.00 0.77 0.00 0.00 66.41 65.75 1o8t h THR 40 Cb 0.10 2.04 -0.02 0.00 -1.74 0.00 0.00 68.15 68.52 1o8t h THR 40 CO 0.00 0.38 0.03 1.88 0.37 0.00 0.00 175.52 178.18 1o8t h TYR 41 N -0.16 1.06 -3.99 3.16 0.05 -1.40 -3.44 116.97 112.24 1o8t h TYR 41 Ca 0.01 -0.17 -0.45 0.00 0.05 0.00 0.00 58.73 58.17 1o8t h TYR 41 Cb 0.68 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 38.12 1o8t h TYR 41 CO 0.10 0.95 0.33 -0.51 -1.05 0.00 0.00 178.16 177.98 1o8t s LEU 42 N -9.40 4.06 -0.23 3.88 1.43 -1.14 -4.98 118.68 112.31 1o8t s LEU 42 Ca -0.12 1.72 0.04 0.00 -1.03 0.00 0.00 54.13 54.73 1o8t s LEU 42 Cb 0.13 -4.36 0.42 0.00 0.03 0.00 0.00 46.19 42.41 1o8t s LEU 42 CO 0.84 -0.27 1.46 -0.81 0.23 0.00 0.00 176.35 177.80 1o8t n PRO 43 N -0.27 2.18 0.20 1.29 -0.04 -1.26 -4.44 135.00 132.66 1o8t n PRO 43 Ca 0.05 -1.80 0.14 0.00 -0.04 0.00 0.00 63.50 61.86 1o8t n PRO 43 Cb 0.53 -1.77 0.66 0.00 -0.04 0.00 0.00 33.50 32.88 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 1.92 1.00 -0.84 0.55 0.00 -1.94 -3.28 119.26 116.67 1o8t h ALA 44 Ca 0.27 0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.35 1o8t h ALA 44 Cb 1.90 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 19.53 1o8t h ALA 44 CO 0.55 0.00 -0.22 -0.39 0.00 0.00 0.00 179.25 179.19 1o8t h VAL 45 N 0.00 0.15 -0.01 0.00 -1.51 -1.86 0.23 116.25 113.25 1o8t h VAL 45 Ca 0.00 0.00 -0.16 0.00 -1.23 0.00 0.00 66.70 65.31 1o8t h VAL 45 Cb 0.24 0.15 -0.02 0.00 -2.13 0.00 0.00 31.29 29.53 1o8t h VAL 45 CO 0.00 0.00 -0.75 0.44 -1.23 0.00 0.00 177.57 176.03 1o8t h ASP 46 N -0.01 0.07 -0.15 4.19 3.32 -1.97 -3.29 116.42 118.58 1o8t h ASP 46 Ca 0.40 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.37 1o8t h ASP 46 Cb 0.61 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.14 1o8t h ASP 46 CO -0.87 0.79 -0.04 -0.08 -1.72 0.00 0.00 179.24 177.32 1o8t h GLU 47 N 0.03 0.29 -0.35 3.56 4.57 -0.87 -2.98 114.58 118.83 1o8t h GLU 47 Ca -0.01 -0.11 0.10 0.00 -1.18 0.00 0.00 59.36 58.16 1o8t h GLU 47 Cb 1.32 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.88 1o8t h GLU 47 CO 0.10 0.57 0.33 0.87 -1.18 0.00 0.00 179.01 179.70 1o8t h LYS 48 N -0.02 0.00 0.58 1.92 6.56 -0.82 0.12 116.57 124.90 1o8t h LYS 48 Ca 0.04 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.60 1o8t h LYS 48 Cb 0.47 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.14 1o8t h LYS 48 CO 0.02 0.00 -0.28 -0.07 -2.06 0.00 0.00 179.45 177.06 1o8t h LEU 49 N 0.00 -0.66 -1.91 2.94 4.07 -1.59 -2.43 115.31 115.73 1o8t h LEU 49 Ca 0.16 0.02 -0.02 0.00 0.08 0.00 0.00 57.88 58.12 1o8t h LEU 49 Cb 0.81 0.17 -0.00 0.00 1.08 0.00 0.00 40.66 42.72 1o8t h LEU 49 CO -0.00 -0.42 -0.11 0.03 -1.08 0.00 0.00 178.44 176.86 1o8t h ARG 50 N -0.89 0.00 0.41 1.13 2.47 -1.51 -1.95 114.38 114.04 1o8t h ARG 50 Ca -0.08 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.63 1o8t h ARG 50 Cb 0.60 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.90 1o8t h ARG 50 CO 0.13 0.11 -0.39 -0.44 0.56 0.00 0.00 179.97 179.94 1o8t h ASP 51 N 0.00 -1.06 1.30 7.04 3.32 -0.63 -0.80 116.42 125.59 1o8t h ASP 51 Ca -0.00 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1o8t h ASP 51 Cb 0.24 0.35 -0.00 0.00 0.22 0.00 0.00 39.33 40.14 1o8t h ASP 51 CO 0.01 -0.55 -0.03 -0.07 -1.72 0.00 0.00 179.24 176.89 1o8t h LEU 52 N -0.82 0.00 0.06 1.55 4.07 -1.29 -3.11 115.31 115.77 1o8t h LEU 52 Ca -0.04 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.92 1o8t h LEU 52 Cb 0.73 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.47 1o8t h LEU 52 CO -0.05 0.03 -0.03 0.22 -1.08 0.00 0.00 178.44 177.53 1o8t h TYR 53 N 0.00 -0.08 -0.54 1.13 5.03 -0.75 -0.35 116.97 121.42 1o8t h TYR 53 Ca -0.00 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.30 1o8t h TYR 53 Cb 0.68 0.03 -0.03 0.00 1.55 0.00 0.00 36.73 38.96 1o8t h TYR 53 CO 0.00 0.28 0.32 1.03 -1.32 0.00 0.00 178.16 178.47 1o8t h SER 54 N -0.46 0.65 -0.01 -2.11 0.87 -1.18 -2.13 113.55 109.18 1o8t h SER 54 Ca -0.01 -0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1o8t h SER 54 Cb 0.40 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1o8t h SER 54 CO 0.01 0.52 0.00 0.11 -0.53 0.00 0.00 176.83 176.95 1o8t h LYS 55 N 0.72 0.01 0.00 2.24 1.57 -1.55 -2.56 116.57 117.00 1o8t h LYS 55 Ca 0.19 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1o8t h LYS 55 Cb -0.00 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1o8t h LYS 55 CO -0.03 0.10 0.00 0.66 -0.57 0.00 0.00 179.45 179.60 1o8t h SER 56 N -0.08 0.00 0.47 0.86 4.64 -0.89 -1.86 113.55 116.69 1o8t h SER 56 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.31 1o8t h SER 56 Cb 0.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 1o8t h SER 56 CO -0.00 0.00 -0.31 0.74 -0.87 0.00 0.00 176.83 176.39 1o8t h THR 57 N 0.00 0.36 0.11 2.95 2.02 -0.95 -1.17 112.91 116.24 1o8t h THR 57 Ca 0.00 0.00 -0.32 0.00 0.77 0.00 0.00 66.41 66.86 1o8t h THR 57 Cb 0.12 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 1o8t h THR 57 CO 0.00 0.00 -1.68 0.00 0.37 0.00 0.00 175.52 174.21 1o8t h ALA 58 N -0.30 0.29 0.58 6.16 0.00 -1.68 -3.26 119.26 121.05 1o8t h ALA 58 Ca -0.05 -1.24 -0.03 0.00 0.00 0.00 0.00 54.91 53.59 1o8t h ALA 58 Cb 0.63 0.61 0.01 0.00 0.00 0.00 0.00 17.79 19.03 1o8t h ALA 58 CO 0.04 1.04 -0.28 0.00 0.00 0.00 0.00 179.25 180.04 1o8t h ALA 59 N -0.04 -1.08 0.00 0.00 0.00 -1.44 -3.04 119.26 113.66 1o8t h ALA 59 Ca -0.37 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1o8t h ALA 59 Cb 1.86 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.95 1o8t h ALA 59 CO 0.05 -1.02 0.00 1.98 0.00 0.00 0.00 179.25 180.26 1o8t h MET 60 N -0.87 0.00 0.00 0.00 4.05 -1.38 -2.17 114.93 114.55 1o8t h MET 60 Ca -0.08 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.34 1o8t h MET 60 Cb 0.60 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.40 1o8t h MET 60 CO 0.13 0.00 0.00 0.77 0.23 0.00 0.00 176.91 178.04 1o8t h SER 61 N 0.00 0.00 0.00 1.39 0.02 -1.49 0.07 113.55 113.54 1o8t h SER 61 Ca 0.00 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.58 1o8t h SER 61 Cb 0.08 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.57 1o8t h SER 61 CO 0.00 0.00 -2.07 0.35 -1.14 0.00 0.00 176.83 173.97 1o8t n THR 62 N -3.00 1.53 0.29 -2.27 -2.24 -0.82 -4.26 114.28 103.51 1o8t n THR 62 Ca -0.00 -0.25 0.13 0.00 -2.27 0.00 0.00 64.05 61.66 1o8t n THR 62 Cb 0.23 -1.95 0.60 0.00 -2.10 0.00 0.00 70.33 67.10 1o8t n THR 62 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1o8t h TYR 63 N -1.00 0.00 0.44 4.78 3.20 -1.56 -1.24 116.97 121.58 1o8t h TYR 63 Ca -0.57 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.28 1o8t h TYR 63 Cb 1.49 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.76 1o8t h TYR 63 CO -0.04 0.00 -0.21 1.15 -1.64 0.00 0.00 178.16 177.43 1o8t h THR 64 N 0.00 0.27 -0.51 1.81 2.02 -1.16 0.66 112.91 116.00 1o8t h THR 64 Ca 0.00 -0.59 -0.08 0.00 0.77 0.00 0.00 66.41 66.51 1o8t h THR 64 Cb 0.20 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 1o8t h THR 64 CO 0.00 0.06 -0.00 1.23 0.37 0.00 0.00 175.52 177.17 1o8t h GLY 65 N -1.06 0.92 0.78 2.16 0.00 -1.70 -1.38 103.07 102.79 1o8t h GLY 65 Ca -0.06 -0.63 -0.04 0.00 0.00 0.00 0.00 47.33 46.61 1o8t h GLY 65 CO 0.10 0.58 -0.37 -2.22 0.00 0.00 0.00 176.54 174.63 1o8t h ILE 66 N 0.79 0.00 -0.12 2.60 2.04 -1.25 0.72 117.51 122.28 1o8t h ILE 66 Ca 0.15 -0.17 0.04 0.00 1.00 0.00 0.00 64.86 65.88 1o8t h ILE 66 Cb 0.48 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.49 1o8t h ILE 66 CO 0.02 0.00 -0.39 0.15 0.00 0.00 0.00 178.15 177.93 1o8t h PHE 67 N -1.21 -1.11 0.00 1.37 3.57 0.34 0.36 116.94 120.26 1o8t h PHE 67 Ca -0.11 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1o8t h PHE 67 Cb 0.80 0.50 0.00 0.00 2.79 0.00 0.00 35.95 40.04 1o8t h PHE 67 CO 0.01 -0.46 0.00 1.15 -2.23 0.00 0.00 178.31 176.79 1o8t h THR 68 N -0.47 0.00 0.52 4.41 2.02 -1.31 -3.12 112.91 114.96 1o8t h THR 68 Ca 0.08 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 1o8t h THR 68 Cb 0.61 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 1o8t h THR 68 CO -0.38 0.00 -0.39 -0.78 0.37 0.00 0.00 175.52 174.35 1o8t h ASP 69 N 0.00 -1.00 0.47 4.18 1.82 0.14 0.16 116.42 122.18 1o8t h ASP 69 Ca 0.00 0.07 -0.11 0.00 -0.39 0.00 0.00 57.03 56.60 1o8t h ASP 69 Cb 0.21 0.31 -0.01 0.00 0.68 0.00 0.00 39.33 40.52 1o8t h ASP 69 CO 0.00 -0.57 -0.49 0.06 -1.61 0.00 0.00 179.24 176.63 1o8t h GLN 70 N -0.89 0.03 0.01 0.28 3.07 -1.55 -1.81 115.11 114.26 1o8t h GLN 70 Ca -0.06 -0.02 -0.00 0.00 0.09 0.00 0.00 58.65 58.67 1o8t h GLN 70 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.31 1o8t h GLN 70 CO 0.02 0.51 -0.01 -0.39 0.09 0.00 0.00 178.83 179.06 1o8t h VAL 71 N 0.02 1.29 -0.80 1.86 -1.51 -1.48 -2.32 116.25 113.30 1o8t h VAL 71 Ca -0.00 -0.92 0.07 0.00 -1.23 0.00 0.00 66.70 64.62 1o8t h VAL 71 Cb 0.88 1.91 -0.05 0.00 -2.13 0.00 0.00 31.29 31.89 1o8t h VAL 71 CO 0.07 0.24 0.53 0.25 -1.23 0.00 0.00 177.57 177.42 1o8t h LEU 72 N -0.41 0.75 -1.20 4.19 5.85 -0.66 -0.22 115.31 123.59 1o8t h LEU 72 Ca -0.00 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.78 1o8t h LEU 72 Cb 0.40 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 1o8t h LEU 72 CO 0.00 0.47 0.56 0.28 -0.34 0.00 0.00 178.44 179.41 1o8t h SER 73 N 0.84 0.86 1.11 1.25 0.02 -1.03 0.12 113.55 116.72 1o8t h SER 73 Ca 0.35 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1o8t h SER 73 Cb 0.29 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1o8t h SER 73 CO -0.13 0.57 0.00 0.58 -1.14 0.00 0.00 176.83 176.71 1o8t h VAL 74 N 0.99 0.00 -0.45 2.27 2.07 -0.49 -2.83 116.25 117.80 1o8t h VAL 74 Ca 0.36 -0.54 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 1o8t h VAL 74 Cb 0.15 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 1o8t h VAL 74 CO -0.12 0.00 0.03 0.25 0.02 0.00 0.00 177.57 177.75 1o8t h LEU 75 N 0.00 0.68 -0.43 2.57 6.46 -0.43 -2.53 115.31 121.63 1o8t h LEU 75 Ca 0.00 -0.14 -0.17 0.00 -0.12 0.00 0.00 57.88 57.45 1o8t h LEU 75 Cb 0.56 -0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 40.30 1o8t h LEU 75 CO 0.00 0.73 -0.54 0.11 -0.62 0.00 0.00 178.44 178.12 1o8t h LYS 76 N 0.68 0.70 -4.02 1.25 1.57 -1.46 -1.72 116.57 113.58 1o8t h LYS 76 Ca 0.14 -0.44 -0.73 0.00 -1.87 0.00 0.00 60.65 57.76 1o8t h LYS 76 Cb 0.37 0.05 -0.10 0.00 0.08 0.00 0.00 32.23 32.63 1o8t h LYS 76 CO 0.01 1.06 2.48 0.41 -0.57 0.00 0.00 179.45 182.84 1o8t n GLY 77 N 0.29 4.33 2.49 3.86 0.00 -0.99 -4.46 105.19 110.70 1o8t n GLY 77 Ca -0.04 -1.81 -0.21 0.00 0.00 0.00 0.00 46.02 43.96 1o8t n GLY 77 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1o8t n GLU 78 N 5.36 -2.16 -0.85 1.61 -0.58 -1.26 -4.95 120.64 117.82 1o8t n GLU 78 Ca 0.46 0.97 0.00 0.00 -0.42 0.00 0.00 57.16 58.16 1o8t n GLU 78 Cb 0.39 -5.66 0.00 0.00 -0.57 0.00 0.00 31.44 25.60 1o8t n GLU 78 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74