#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o8t h GLN 2 N 0.00 0.58 -5.47 -0.78 -0.00 -2.08 -3.42 115.11 103.95 1o8t h GLN 2 Ca 0.00 -0.28 -0.61 0.00 -0.00 0.00 0.00 58.65 57.76 1o8t h GLN 2 Cb 0.00 -0.00 -0.12 0.00 -0.00 0.00 0.00 27.48 27.36 1o8t h GLN 2 CO 0.00 0.86 0.02 -1.14 -0.00 0.00 0.00 178.83 178.57 1o8t s GLN 3 N -4.32 4.13 -1.06 0.06 -0.44 -1.26 -4.98 119.66 111.79 1o8t s GLN 3 Ca -0.08 0.42 -0.17 0.00 -2.50 0.00 0.00 55.36 53.04 1o8t s GLN 3 Cb 0.13 -3.62 -0.08 0.00 -1.64 0.00 0.00 33.01 27.80 1o8t s GLN 3 CO 0.82 -0.29 2.11 -2.30 0.50 0.00 0.00 175.29 176.13 1o8t n PRO 4 N 5.30 2.15 0.01 1.67 -0.02 -1.26 -4.69 135.00 138.16 1o8t n PRO 4 Ca -0.03 -2.07 -0.01 0.00 -2.02 0.00 0.00 63.50 59.37 1o8t n PRO 4 Cb 0.50 -2.98 -0.00 0.00 -0.02 0.00 0.00 33.50 31.00 1o8t n PRO 4 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1o8t h GLN 5 N 6.91 -0.04 -7.31 -0.52 -0.00 -1.93 -3.47 115.11 108.75 1o8t h GLN 5 Ca 0.51 0.00 -0.43 0.00 -0.00 0.00 0.00 58.65 58.73 1o8t h GLN 5 Cb 0.58 0.01 0.18 0.00 0.00 0.00 0.00 27.48 28.25 1o8t h GLN 5 CO 1.87 -0.03 0.12 1.14 0.00 0.00 0.00 178.83 181.93 1o8t s GLN 6 N -1.85 -0.55 -1.16 1.69 0.00 -1.26 -4.85 119.66 111.67 1o8t s GLN 6 Ca -0.01 0.36 -0.22 0.00 -0.00 0.00 0.00 55.36 55.49 1o8t s GLN 6 Cb 0.00 -1.64 -0.06 0.00 0.00 0.00 0.00 33.01 31.31 1o8t s GLN 6 CO 0.02 -3.35 1.90 0.34 0.00 0.00 0.00 175.29 174.20 1o8t s ASP 7 N -3.41 5.29 -0.01 12.60 2.15 -1.26 -4.74 116.67 127.29 1o8t s ASP 7 Ca 0.68 -1.64 -0.25 0.00 0.43 0.00 0.00 52.55 51.77 1o8t s ASP 7 Cb -0.17 -2.58 -0.19 0.00 -0.30 0.00 0.00 42.92 39.67 1o8t s ASP 7 CO 0.58 -2.78 1.26 -0.33 -0.17 0.00 0.00 175.17 173.73 1o8t h GLU 8 N 9.65 0.08 -6.49 4.34 3.07 -1.90 -3.43 114.58 119.90 1o8t h GLU 8 Ca 0.23 -0.04 -0.53 0.00 -0.50 0.00 0.00 59.36 58.51 1o8t h GLU 8 Cb 0.94 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.87 1o8t h GLU 8 CO 1.26 0.57 0.79 -1.64 -1.40 0.00 0.00 179.01 178.58 1o8t s MET 9 N -4.16 4.29 0.19 2.33 -1.94 -1.26 -4.97 119.30 113.79 1o8t s MET 9 Ca -0.16 2.08 -0.30 0.00 -1.71 0.00 0.00 55.69 55.60 1o8t s MET 9 Cb 0.02 -3.37 -0.09 0.00 2.01 0.00 0.00 34.83 33.40 1o8t s MET 9 CO 0.69 -0.51 1.37 -1.25 -0.01 0.00 0.00 175.02 175.31 1o8t s PRO 10 N 1.63 4.34 -0.02 2.03 0.04 -1.26 -4.98 135.00 136.78 1o8t s PRO 10 Ca 0.65 2.13 -0.30 0.00 0.04 0.00 0.00 61.00 63.53 1o8t s PRO 10 Cb -0.36 -3.18 -0.05 0.00 0.04 0.00 0.00 34.50 30.96 1o8t s PRO 10 CO 0.29 -0.35 1.30 -1.54 0.04 0.00 0.00 177.00 176.75 1o8t s SER 11 N 0.53 6.95 0.37 6.66 1.04 -1.26 -4.99 113.70 123.00 1o8t s SER 11 Ca 0.59 1.98 -0.28 0.00 0.48 0.00 0.00 55.95 58.73 1o8t s SER 11 Cb -0.38 -2.56 -0.11 0.00 0.10 0.00 0.00 66.02 63.07 1o8t s SER 11 CO 0.38 -0.65 1.48 -2.84 0.98 0.00 0.00 173.24 172.59 1o8t s PRO 12 N 2.21 4.12 0.00 4.02 0.02 -1.26 -4.99 135.00 139.12 1o8t s PRO 12 Ca 0.60 2.56 0.00 0.00 0.02 0.00 0.00 61.00 64.18 1o8t s PRO 12 Cb -0.28 -2.97 0.00 0.00 0.02 0.00 0.00 34.50 31.26 1o8t s PRO 12 CO 0.25 -0.52 0.37 0.25 -0.33 0.00 0.00 177.00 177.02 1o8t n THR 13 N 0.52 0.00 0.00 0.99 -2.24 -1.26 -4.85 114.28 107.44 1o8t n THR 13 Ca 0.01 0.82 0.00 0.00 -2.27 0.00 0.00 64.05 62.61 1o8t n THR 13 Cb 0.39 -1.72 0.00 0.00 -2.10 0.00 0.00 70.33 66.90 1o8t n THR 13 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1o8t n PHE 14 N -1.75 0.00 0.17 4.78 3.01 -1.26 -2.93 117.46 119.49 1o8t n PHE 14 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.32 1o8t n PHE 14 Cb 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.39 1o8t n PHE 14 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1o8t h LEU 15 N 0.00 -0.33 -1.53 4.37 5.85 -2.02 -2.47 115.31 119.18 1o8t h LEU 15 Ca 0.00 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.71 1o8t h LEU 15 Cb 0.00 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1o8t h LEU 15 CO 0.00 -0.13 0.39 0.71 -0.34 0.00 0.00 178.44 179.07 1o8t h THR 16 N -0.52 1.00 -0.50 1.05 1.35 -1.90 -2.19 112.91 111.21 1o8t h THR 16 Ca -0.04 -0.20 -0.01 0.00 -0.55 0.00 0.00 66.41 65.61 1o8t h THR 16 Cb 0.39 0.37 -0.02 0.00 -1.73 0.00 0.00 68.15 67.16 1o8t h THR 16 CO 0.07 0.11 0.26 -0.61 -0.25 0.00 0.00 175.52 175.09 1o8t h GLN 17 N 0.58 0.71 -0.48 4.72 -0.00 -1.69 -3.21 115.11 115.74 1o8t h GLN 17 Ca 0.25 -0.09 0.13 0.00 -0.00 0.00 0.00 58.65 58.94 1o8t h GLN 17 Cb 0.27 -0.13 -0.09 0.00 0.00 0.00 0.00 27.48 27.53 1o8t h GLN 17 CO -0.07 0.58 -0.00 0.28 0.00 0.00 0.00 178.83 179.61 1o8t n VAL 18 N -4.63 -0.20 -0.05 2.39 0.31 -0.82 0.29 118.33 115.62 1o8t n VAL 18 Ca 0.02 1.06 -0.08 0.00 -0.01 0.00 0.00 64.34 65.33 1o8t n VAL 18 Cb 0.10 -1.53 -0.01 0.00 -0.91 0.00 0.00 33.84 31.48 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 -0.21 0.00 5.55 1.79 -1.73 -0.16 116.57 121.80 1o8t h LYS 19 Ca 0.28 0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.73 1o8t h LYS 19 Cb 0.58 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.27 1o8t h LYS 19 CO -0.45 -0.14 -0.21 0.93 -1.08 0.00 0.00 179.45 178.50 1o8t h GLU 20 N -0.22 0.00 -0.67 3.15 3.07 -0.38 -2.45 114.58 117.08 1o8t h GLU 20 Ca 0.14 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.97 1o8t h GLU 20 Cb 0.44 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.32 1o8t h GLU 20 CO -0.38 0.21 0.29 1.03 -1.40 0.00 0.00 179.01 178.76 1o8t h SER 21 N 0.00 0.91 0.19 1.42 0.87 -0.72 -2.53 113.55 113.69 1o8t h SER 21 Ca -0.00 -0.16 -0.14 0.00 -1.23 0.00 0.00 61.79 60.26 1o8t h SER 21 Cb 0.37 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1o8t h SER 21 CO 0.03 0.82 -0.54 0.25 -0.53 0.00 0.00 176.83 176.86 1o8t h LEU 22 N 0.95 0.42 0.35 2.23 5.85 -0.83 -2.86 115.31 121.41 1o8t h LEU 22 Ca 0.23 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1o8t h LEU 22 Cb 0.18 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 1o8t h LEU 22 CO -0.02 0.88 -0.20 0.28 -0.34 0.00 0.00 178.44 179.03 1o8t h SER 23 N 0.29 -0.50 0.37 1.25 0.02 -1.12 -0.87 113.55 112.98 1o8t h SER 23 Ca 0.01 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1o8t h SER 23 Cb 1.04 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1o8t h SER 23 CO 0.09 -0.33 0.00 -1.28 -1.14 0.00 0.00 176.83 174.17 1o8t h SER 24 N -0.52 0.00 0.26 3.07 0.87 -1.50 -2.27 113.55 113.46 1o8t h SER 24 Ca -0.04 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.22 1o8t h SER 24 Cb 0.43 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.41 1o8t h SER 24 CO 0.04 0.00 -1.31 0.22 -0.53 0.00 0.00 176.83 175.25 1o8t h TYR 25 N 0.00 0.91 -0.77 2.24 3.20 -1.05 -3.31 116.97 118.19 1o8t h TYR 25 Ca 0.00 -0.61 -0.06 0.00 3.14 0.00 0.00 58.73 61.20 1o8t h TYR 25 Cb 0.19 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 1o8t h TYR 25 CO 0.00 1.46 0.26 2.35 -1.64 0.00 0.00 178.16 180.59 1o8t h TRP 26 N 0.20 1.21 -0.90 -3.82 2.91 -0.60 0.30 115.95 115.27 1o8t h TRP 26 Ca -0.20 -0.11 0.09 0.00 1.13 0.00 0.00 58.89 59.80 1o8t h TRP 26 Cb 1.99 -0.35 -0.12 0.00 -0.51 0.00 0.00 29.16 30.17 1o8t h TRP 26 CO 0.11 0.94 -0.56 0.93 -1.03 0.00 0.00 178.44 178.84 1o8t h GLU 27 N 1.13 -0.06 0.00 2.65 3.07 -1.61 0.25 114.58 120.01 1o8t h GLU 27 Ca 0.25 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.11 1o8t h GLU 27 Cb 0.29 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 1o8t h GLU 27 CO -0.01 -0.04 -0.33 -1.13 -1.40 0.00 0.00 179.01 176.10 1o8t n SER 28 N -5.30 0.76 -0.21 1.42 3.41 -1.19 -3.86 113.62 108.65 1o8t n SER 28 Ca 0.02 0.33 -0.00 0.00 -0.26 0.00 0.00 58.87 58.96 1o8t n SER 28 Cb 0.29 -0.29 0.23 0.00 -0.26 0.00 0.00 64.21 64.18 1o8t n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1o8t h ALA 29 N 2.52 1.41 0.11 7.33 0.00 0.17 -2.97 119.26 127.82 1o8t h ALA 29 Ca 0.00 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1o8t h ALA 29 Cb 0.74 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1o8t h ALA 29 CO 0.00 0.51 -0.37 -0.22 0.00 0.00 0.00 179.25 179.17 1o8t h LYS 30 N 0.99 -0.57 -1.05 0.00 3.64 -1.49 -0.50 116.57 117.59 1o8t h LYS 30 Ca 0.26 0.04 0.27 0.00 -1.27 0.00 0.00 60.65 59.95 1o8t h LYS 30 Cb -0.04 0.13 -0.10 0.00 -0.41 0.00 0.00 32.23 31.81 1o8t h LYS 30 CO -0.05 -0.38 0.66 1.15 -2.27 0.00 0.00 179.45 178.56 1o8t h THR 31 N -0.59 0.51 -0.72 1.00 2.02 -1.76 0.46 112.91 113.83 1o8t h THR 31 Ca 0.03 -0.14 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 1o8t h THR 31 Cb 0.63 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 1o8t h THR 31 CO -0.23 0.08 0.34 0.00 0.37 0.00 0.00 175.52 176.08 1o8t h ALA 32 N 1.64 0.93 -0.20 6.16 0.00 -1.04 -0.98 119.26 125.76 1o8t h ALA 32 Ca 0.61 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.42 1o8t h ALA 32 Cb 1.51 -0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 1o8t h ALA 32 CO -0.33 0.50 -0.44 0.00 0.00 0.00 0.00 179.25 178.97 1o8t h ALA 33 N 1.16 -0.60 -0.49 0.00 0.00 0.71 0.62 119.26 120.66 1o8t h ALA 33 Ca 0.25 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1o8t h ALA 33 Cb 0.13 0.85 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1o8t h ALA 33 CO -0.03 -0.94 0.05 1.96 0.00 0.00 0.00 179.25 180.30 1o8t h GLN 34 N -0.46 0.79 0.00 0.00 4.20 -1.47 -1.95 115.11 116.22 1o8t h GLN 34 Ca 0.08 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 1o8t h GLN 34 Cb 0.62 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.30 1o8t h GLN 34 CO -0.45 0.76 -0.08 -0.97 -0.67 0.00 0.00 178.83 177.42 1o8t h ASN 35 N 0.75 0.00 -0.45 1.46 -1.24 0.29 -1.54 115.58 114.85 1o8t h ASN 35 Ca 0.15 0.00 0.06 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 0.19 -0.82 0.34 6.46 0.98 0.37 115.31 122.83 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 0.16 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.08 1o8t h LEU 36 CO 0.01 0.14 0.29 1.88 -0.62 0.00 0.00 178.44 180.14 1o8t h TYR 37 N 0.35 1.19 0.25 1.25 0.05 -1.33 -2.89 116.97 115.84 1o8t h TYR 37 Ca 0.21 -0.10 0.00 0.00 0.05 0.00 0.00 58.73 58.90 1o8t h TYR 37 Cb 0.20 -0.35 -0.02 0.00 1.01 0.00 0.00 36.73 37.57 1o8t h TYR 37 CO -0.15 0.91 -0.23 1.49 -1.05 0.00 0.00 178.16 179.13 1o8t h GLU 38 N 1.13 -0.48 0.00 4.88 4.22 -0.28 -1.85 114.58 122.20 1o8t h GLU 38 Ca 0.26 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.73 1o8t h GLU 38 Cb 0.24 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1o8t h GLU 38 CO -0.02 -0.32 0.10 0.87 -2.18 0.00 0.00 179.01 177.46 1o8t h LYS 39 N -0.50 0.00 -0.15 1.92 1.79 -0.24 -1.69 116.57 117.70 1o8t h LYS 39 Ca -0.01 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.41 1o8t h LYS 39 Cb 0.46 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.11 1o8t h LYS 39 CO -0.04 0.00 -0.12 1.15 -1.08 0.00 0.00 179.45 179.36 1o8t h THR 40 N 0.00 1.34 -0.57 -0.16 2.02 -1.13 -3.21 112.91 111.20 1o8t h THR 40 Ca 0.00 -1.26 -0.08 0.00 0.77 0.00 0.00 66.41 65.84 1o8t h THR 40 Cb 0.20 1.84 -0.02 0.00 -1.74 0.00 0.00 68.15 68.43 1o8t h THR 40 CO 0.00 0.37 0.04 1.88 0.37 0.00 0.00 175.52 178.18 1o8t h TYR 41 N -0.02 1.06 -3.86 3.16 0.05 -1.33 -3.44 116.97 112.59 1o8t h TYR 41 Ca 0.03 -0.17 -0.47 0.00 0.05 0.00 0.00 58.73 58.16 1o8t h TYR 41 Cb 0.64 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 38.08 1o8t h TYR 41 CO 0.08 0.94 0.33 -0.51 -1.05 0.00 0.00 178.16 177.96 1o8t s LEU 42 N -9.41 4.36 -0.22 3.88 1.02 -1.12 -4.97 118.68 112.22 1o8t s LEU 42 Ca -0.12 1.82 0.04 0.00 0.02 0.00 0.00 54.13 55.89 1o8t s LEU 42 Cb 0.13 -3.97 0.41 0.00 0.02 0.00 0.00 46.19 42.79 1o8t s LEU 42 CO 0.84 -0.05 1.42 -0.81 0.02 0.00 0.00 176.35 177.78 1o8t n PRO 43 N 0.64 2.23 0.20 1.29 -0.04 -1.26 -4.43 135.00 133.63 1o8t n PRO 43 Ca 0.01 -1.75 0.15 0.00 -0.04 0.00 0.00 63.50 61.87 1o8t n PRO 43 Cb 0.50 -1.77 0.67 0.00 -0.04 0.00 0.00 33.50 32.87 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 2.01 1.00 -0.77 0.55 0.00 -1.93 -3.18 119.26 116.94 1o8t h ALA 44 Ca 0.24 0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.32 1o8t h ALA 44 Cb 1.84 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 19.52 1o8t h ALA 44 CO 0.52 0.00 0.26 -0.24 0.00 0.00 0.00 179.25 179.79 1o8t h VAL 45 N 0.00 0.56 -0.12 0.00 3.04 -1.87 0.75 116.25 118.61 1o8t h VAL 45 Ca 0.00 -0.12 -0.13 0.00 -1.01 0.00 0.00 66.70 65.44 1o8t h VAL 45 Cb 0.24 0.17 -0.01 0.00 -2.01 0.00 0.00 31.29 29.68 1o8t h VAL 45 CO 0.00 0.07 -0.49 -0.78 -1.01 0.00 0.00 177.57 175.36 1o8t h ASP 46 N 0.36 0.34 -0.46 3.17 3.58 -1.95 -3.12 116.42 118.35 1o8t h ASP 46 Ca 0.44 -0.16 -0.11 0.00 0.42 0.00 0.00 57.03 57.62 1o8t h ASP 46 Cb 0.73 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.67 1o8t h ASP 46 CO -0.47 0.78 -0.13 -0.08 -2.88 0.00 0.00 179.24 176.45 1o8t h GLU 47 N 0.25 0.89 -0.02 0.28 4.22 -1.12 -2.87 114.58 116.22 1o8t h GLU 47 Ca 0.01 -0.35 0.00 0.00 0.08 0.00 0.00 59.36 59.11 1o8t h GLU 47 Cb 0.95 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 1o8t h GLU 47 CO 0.08 1.00 0.02 0.87 -2.18 0.00 0.00 179.01 178.80 1o8t h LYS 48 N 0.73 0.00 0.42 1.92 6.56 -0.94 0.21 116.57 125.47 1o8t h LYS 48 Ca 0.11 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.68 1o8t h LYS 48 Cb 0.68 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.35 1o8t h LYS 48 CO 0.05 0.00 -0.20 -0.07 -2.06 0.00 0.00 179.45 177.17 1o8t h LEU 49 N 0.00 -0.48 -1.56 2.94 -0.00 -1.49 -1.03 115.31 113.70 1o8t h LEU 49 Ca 0.01 0.02 -0.03 0.00 -0.00 0.00 0.00 57.88 57.87 1o8t h LEU 49 Cb 0.04 0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 40.81 1o8t h LEU 49 CO -0.00 -0.30 -0.07 0.03 -0.00 0.00 0.00 178.44 178.10 1o8t h ARG 50 N -0.65 0.20 0.35 1.13 -0.00 -1.59 -2.30 114.38 111.51 1o8t h ARG 50 Ca -0.06 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.98 59.39 1o8t h ARG 50 Cb 0.43 -0.03 -0.02 0.00 0.00 0.00 0.00 29.97 30.35 1o8t h ARG 50 CO 0.10 0.28 -0.35 0.22 0.00 0.00 0.00 179.97 180.22 1o8t h ASP 51 N 0.19 -0.96 0.32 7.04 1.82 -0.51 0.03 116.42 124.36 1o8t h ASP 51 Ca 0.04 0.08 -0.04 0.00 -0.39 0.00 0.00 57.03 56.73 1o8t h ASP 51 Cb 0.25 0.32 -0.01 0.00 0.68 0.00 0.00 39.33 40.58 1o8t h ASP 51 CO 0.01 -0.49 -0.19 -0.07 -1.61 0.00 0.00 179.24 176.89 1o8t h LEU 52 N -0.73 0.00 0.03 2.28 -0.00 -1.01 -2.31 115.31 113.56 1o8t h LEU 52 Ca -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.86 1o8t h LEU 52 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.32 1o8t h LEU 52 CO -0.07 0.19 -0.01 1.88 -0.00 0.00 0.00 178.44 180.43 1o8t h TYR 53 N 0.00 -0.04 -0.40 1.13 0.05 -0.81 -0.19 116.97 116.71 1o8t h TYR 53 Ca -0.00 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 1o8t h TYR 53 Cb 0.40 0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.13 1o8t h TYR 53 CO 0.00 0.33 0.23 0.77 -1.05 0.00 0.00 178.16 178.45 1o8t h SER 54 N -0.41 0.49 -0.09 3.88 0.02 -0.85 -2.21 113.55 114.38 1o8t h SER 54 Ca -0.00 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1o8t h SER 54 Cb 0.39 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 1o8t h SER 54 CO 0.01 0.41 0.05 0.11 -1.14 0.00 0.00 176.83 176.26 1o8t h LYS 55 N 0.52 0.13 0.00 3.45 1.79 -1.44 -2.55 116.57 118.47 1o8t h LYS 55 Ca 0.14 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 1o8t h LYS 55 Cb 0.02 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 1o8t h LYS 55 CO -0.03 0.18 0.00 0.66 -1.08 0.00 0.00 179.45 179.18 1o8t h SER 56 N 0.05 0.00 0.68 0.86 4.64 -0.88 -1.88 113.55 117.01 1o8t h SER 56 Ca 0.03 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.32 1o8t h SER 56 Cb 0.09 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1o8t h SER 56 CO -0.00 0.00 -0.42 0.74 -0.87 0.00 0.00 176.83 176.27 1o8t h THR 57 N 0.00 0.15 0.11 2.95 2.02 -0.95 -1.64 112.91 115.54 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 0.12 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 1o8t h THR 57 CO 0.00 0.00 -1.63 0.00 0.37 0.00 0.00 175.52 174.26 1o8t h ALA 58 N -0.82 0.28 0.56 6.16 0.00 -1.69 -3.28 119.26 120.48 1o8t h ALA 58 Ca -0.09 -1.22 -0.03 0.00 0.00 0.00 0.00 54.91 53.57 1o8t h ALA 58 Cb 0.84 0.60 0.01 0.00 0.00 0.00 0.00 17.79 19.24 1o8t h ALA 58 CO 0.08 1.00 -0.27 0.00 0.00 0.00 0.00 179.25 180.06 1o8t h ALA 59 N -0.06 -1.08 0.00 0.00 0.00 -1.46 -3.09 119.26 113.57 1o8t h ALA 59 Ca -0.36 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1o8t h ALA 59 Cb 1.82 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.90 1o8t h ALA 59 CO 0.04 -1.02 0.00 0.52 0.00 0.00 0.00 179.25 178.78 1o8t h MET 60 N -0.84 0.00 0.00 0.00 2.86 -1.45 -2.19 114.93 113.31 1o8t h MET 60 Ca -0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1o8t h MET 60 Cb 0.58 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.24 1o8t h MET 60 CO 0.13 0.00 0.00 1.03 1.06 0.00 0.00 176.91 179.13 1o8t h SER 61 N 0.00 0.00 0.00 1.22 0.87 -1.47 0.17 113.55 114.34 1o8t h SER 61 Ca 0.00 0.00 -0.43 0.00 -1.23 0.00 0.00 61.79 60.13 1o8t h SER 61 Cb 0.08 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.98 1o8t h SER 61 CO 0.00 0.00 -2.32 0.35 -0.53 0.00 0.00 176.83 174.33 1o8t n THR 62 N -2.88 1.53 0.30 2.23 -2.24 -0.83 -4.23 114.28 108.17 1o8t n THR 62 Ca -0.00 -0.32 0.18 0.00 -2.27 0.00 0.00 64.05 61.64 1o8t n THR 62 Cb 0.22 -1.91 0.85 0.00 -2.10 0.00 0.00 70.33 67.39 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 -1.00 0.00 0.49 4.78 0.05 -1.55 -0.54 116.97 119.20 1o8t h TYR 63 Ca -0.64 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.11 1o8t h TYR 63 Cb 1.56 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.31 1o8t h TYR 63 CO -0.05 0.00 -0.24 1.15 -1.05 0.00 0.00 178.16 177.97 1o8t h THR 64 N 0.00 0.11 -0.64 -2.88 2.02 -1.15 0.58 112.91 110.95 1o8t h THR 64 Ca 0.00 -0.53 -0.05 0.00 0.77 0.00 0.00 66.41 66.60 1o8t h THR 64 Cb 0.25 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 66.80 1o8t h THR 64 CO 0.00 0.02 0.19 1.23 0.37 0.00 0.00 175.52 177.33 1o8t h GLY 65 N -1.14 1.05 0.84 2.16 0.00 -1.70 -1.42 103.07 102.86 1o8t h GLY 65 Ca -0.07 -0.61 -0.04 0.00 0.00 0.00 0.00 47.33 46.62 1o8t h GLY 65 CO 0.11 0.57 -0.39 -2.22 0.00 0.00 0.00 176.54 174.61 1o8t h ILE 66 N 0.95 0.05 -0.06 2.60 2.04 -1.13 0.10 117.51 122.05 1o8t h ILE 66 Ca 0.21 -0.19 0.03 0.00 1.00 0.00 0.00 64.86 65.91 1o8t h ILE 66 Cb 0.29 0.06 -0.06 0.00 -0.74 0.00 0.00 36.82 36.37 1o8t h ILE 66 CO -0.01 0.00 -0.45 0.15 0.00 0.00 0.00 178.15 177.85 1o8t h PHE 67 N -1.26 -1.29 0.00 1.37 3.57 0.20 -0.03 116.94 119.51 1o8t h PHE 67 Ca -0.11 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1o8t h PHE 67 Cb 0.83 0.57 0.00 0.00 2.79 0.00 0.00 35.95 40.15 1o8t h PHE 67 CO -0.00 -0.51 0.00 1.15 -2.23 0.00 0.00 178.31 176.72 1o8t h THR 68 N -0.56 0.00 0.60 4.41 2.02 -1.32 -3.07 112.91 114.99 1o8t h THR 68 Ca 0.05 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 1o8t h THR 68 Cb 0.66 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 1o8t h THR 68 CO -0.36 0.00 -0.43 -0.78 0.37 0.00 0.00 175.52 174.32 1o8t h ASP 69 N 0.00 -1.11 0.71 4.18 1.82 0.12 0.26 116.42 122.41 1o8t h ASP 69 Ca 0.00 0.07 -0.06 0.00 -0.39 0.00 0.00 57.03 56.66 1o8t h ASP 69 Cb 0.22 0.34 -0.01 0.00 0.68 0.00 0.00 39.33 40.56 1o8t h ASP 69 CO 0.00 -0.63 -0.28 -0.61 -1.61 0.00 0.00 179.24 176.11 1o8t h GLN 70 N -0.99 0.00 0.27 0.28 4.15 -1.52 -1.91 115.11 115.39 1o8t h GLN 70 Ca -0.07 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 1o8t h GLN 70 Cb 0.82 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.51 1o8t h GLN 70 CO 0.03 0.28 -0.13 0.28 -1.93 0.00 0.00 178.83 177.36 1o8t h VAL 71 N 0.00 0.73 -0.67 2.39 2.07 -1.38 -2.54 116.25 116.85 1o8t h VAL 71 Ca -0.00 -0.69 0.08 0.00 0.82 0.00 0.00 66.70 66.91 1o8t h VAL 71 Cb 0.71 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 1o8t h VAL 71 CO 0.04 0.13 0.45 0.25 0.02 0.00 0.00 177.57 178.45 1o8t h LEU 72 N -0.76 0.55 -1.19 2.57 5.85 -0.44 -0.09 115.31 121.81 1o8t h LEU 72 Ca -0.04 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.74 1o8t h LEU 72 Cb 0.50 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 1o8t h LEU 72 CO 0.06 0.34 0.57 0.77 -0.34 0.00 0.00 178.44 179.84 1o8t h SER 73 N 0.62 0.88 1.02 1.25 4.64 -1.15 0.17 113.55 120.98 1o8t h SER 73 Ca 0.30 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1o8t h SER 73 Cb 0.37 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1o8t h SER 73 CO -0.10 0.58 0.00 0.58 -0.87 0.00 0.00 176.83 177.02 1o8t h VAL 74 N 1.01 0.00 -0.55 0.95 2.07 -0.59 -2.88 116.25 116.27 1o8t h VAL 74 Ca 0.36 -0.45 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 1o8t h VAL 74 Cb 0.14 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1o8t h VAL 74 CO -0.12 0.00 0.09 0.25 0.02 0.00 0.00 177.57 177.81 1o8t h LEU 75 N 0.00 0.82 -0.55 2.57 5.85 -0.42 0.16 115.31 123.73 1o8t h LEU 75 Ca 0.00 -0.17 -0.16 0.00 0.84 0.00 0.00 57.88 58.40 1o8t h LEU 75 Cb 0.51 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1o8t h LEU 75 CO 0.00 0.83 -0.54 0.50 -0.34 0.00 0.00 178.44 178.89 1o8t h LYS 76 N 0.82 0.51 0.00 1.25 3.64 -1.49 -3.30 116.57 118.01 1o8t h LYS 76 Ca 0.17 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1o8t h LYS 76 Cb 0.36 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1o8t h LYS 76 CO 0.01 0.92 0.00 0.41 -2.27 0.00 0.00 179.45 178.52 1o8t n GLY 77 N 0.22 -0.58 2.25 5.01 0.00 -0.94 -4.86 105.19 106.29 1o8t n GLY 77 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.97 1o8t n GLY 77 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1o8t n GLU 78 N -0.65 1.03 0.00 1.61 4.07 -0.65 -5.12 120.64 120.92 1o8t n GLU 78 Ca 0.00 -1.87 0.03 0.00 -0.06 0.00 0.00 57.16 55.26 1o8t n GLU 78 Cb 0.00 -0.15 0.02 0.00 -0.06 0.00 0.00 31.44 31.26 1o8t n GLU 78 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16