#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 0.48 -5.76 -2.82 1.08 -2.01 -3.47 115.11 102.62 1o8t h GLN 2 Ca 0.00 -0.48 -0.53 0.00 -1.45 0.00 0.00 58.65 56.19 1o8t h GLN 2 Cb 0.00 0.13 -0.14 0.00 -0.05 0.00 0.00 27.48 27.42 1o8t h GLN 2 CO 0.00 1.12 -0.71 -0.65 -0.95 0.00 0.00 178.83 177.64 1o8t s GLN 3 N -3.34 1.56 -1.16 1.46 -1.52 -1.26 -4.91 119.66 110.49 1o8t s GLN 3 Ca -0.13 -1.75 -0.23 0.00 -1.95 0.00 0.00 55.36 51.31 1o8t s GLN 3 Cb 0.04 -1.38 -0.08 0.00 -0.22 0.00 0.00 33.01 31.38 1o8t s GLN 3 CO 0.84 0.16 1.93 -1.25 -0.25 0.00 0.00 175.29 176.72 1o8t s PRO 4 N -3.63 2.52 -0.02 2.91 0.04 -1.26 -4.76 135.00 130.79 1o8t s PRO 4 Ca 0.28 -1.10 -0.07 0.00 0.04 0.00 0.00 61.00 60.14 1o8t s PRO 4 Cb 0.00 -5.23 -0.04 0.00 0.04 0.00 0.00 34.50 29.27 1o8t s PRO 4 CO 0.12 -3.91 0.49 1.96 0.04 0.00 0.00 177.00 175.69 1o8t h GLN 5 N 9.83 -0.26 -0.29 4.56 7.50 -1.97 -3.35 115.11 131.13 1o8t h GLN 5 Ca 0.21 0.02 -0.11 0.00 0.50 0.00 0.00 58.65 59.27 1o8t h GLN 5 Cb 0.94 0.06 -0.01 0.00 0.05 0.00 0.00 27.48 28.52 1o8t h GLN 5 CO 1.23 -0.17 -0.26 -0.56 -1.50 0.00 0.00 178.83 177.56 1o8t h GLN 6 N -0.59 0.58 -7.29 1.46 -0.00 -2.05 -3.44 115.11 103.78 1o8t h GLN 6 Ca -0.03 -0.23 -0.51 0.00 -0.00 0.00 0.00 58.65 57.88 1o8t h GLN 6 Cb 0.21 -0.03 0.11 0.00 -0.00 0.00 0.00 27.48 27.77 1o8t h GLN 6 CO 0.04 0.79 0.34 0.34 -0.00 0.00 0.00 178.83 180.35 1o8t s ASP 7 N -6.80 4.91 0.95 0.06 2.15 -1.26 -5.03 116.67 111.66 1o8t s ASP 7 Ca -0.08 1.81 -0.12 0.00 0.43 0.00 0.00 52.55 54.60 1o8t s ASP 7 Cb 0.13 -2.52 0.16 0.00 -0.30 0.00 0.00 42.92 40.39 1o8t s ASP 7 CO 0.81 -1.76 1.09 -1.83 -0.17 0.00 0.00 175.17 173.31 1o8t s GLU 8 N -4.71 0.79 -0.28 4.34 4.04 -1.26 -4.88 118.70 116.75 1o8t s GLU 8 Ca 0.62 0.62 -0.29 0.00 0.04 0.00 0.00 54.97 55.96 1o8t s GLU 8 Cb -0.17 -1.77 -0.02 0.00 0.02 0.00 0.00 34.13 32.19 1o8t s GLU 8 CO 0.51 -2.51 1.69 1.41 -1.84 0.00 0.00 175.26 174.52 1o8t s MET 9 N -4.97 3.58 0.81 -4.83 -2.45 -1.26 -4.94 119.30 105.24 1o8t s MET 9 Ca 0.64 1.53 -0.14 0.00 -1.25 0.00 0.00 55.69 56.48 1o8t s MET 9 Cb -0.18 -4.11 0.19 0.00 1.25 0.00 0.00 34.83 31.98 1o8t s MET 9 CO 0.57 -1.55 0.94 -0.35 1.05 0.00 0.00 175.02 175.68 1o8t n PRO 10 N 8.03 -1.59 -2.04 4.11 -0.04 -1.26 -5.04 135.00 137.17 1o8t n PRO 10 Ca 0.21 -1.47 -0.33 0.00 -0.04 0.00 0.00 63.50 61.87 1o8t n PRO 10 Cb 0.46 -1.11 0.01 0.00 -0.04 0.00 0.00 33.50 32.82 1o8t n PRO 10 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1o8t s SER 11 N -4.33 5.67 -1.44 3.54 1.04 -1.26 -4.92 113.70 112.00 1o8t s SER 11 Ca 0.56 1.89 -0.10 0.00 0.48 0.00 0.00 55.95 58.78 1o8t s SER 11 Cb -0.03 -2.54 -0.07 0.00 0.10 0.00 0.00 66.02 63.48 1o8t s SER 11 CO 0.40 -1.24 2.67 -0.81 0.98 0.00 0.00 173.24 175.24 1o8t n PRO 12 N -1.98 3.21 -1.90 4.02 -0.04 -1.26 -4.95 135.00 132.10 1o8t n PRO 12 Ca 0.09 -2.10 -0.33 0.00 -0.04 0.00 0.00 63.50 61.13 1o8t n PRO 12 Cb 0.52 -2.80 0.03 0.00 -0.04 0.00 0.00 33.50 31.21 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 2.65 3.52 -0.03 0.52 2.01 -1.26 -5.01 115.64 118.03 1o8t s THR 13 Ca 0.61 0.71 -0.08 0.00 0.31 0.00 0.00 61.69 63.24 1o8t s THR 13 Cb 0.16 -3.24 -0.03 0.00 0.01 0.00 0.00 72.50 69.40 1o8t s THR 13 CO -0.05 -0.43 -0.15 0.33 -0.69 0.00 0.00 174.62 173.63 1o8t n PHE 14 N -2.23 0.00 0.29 4.92 7.35 -1.26 -4.31 117.46 122.22 1o8t n PHE 14 Ca 0.10 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 56.63 1o8t n PHE 14 Cb 0.52 -0.23 -0.08 0.00 0.35 0.00 0.00 39.48 40.04 1o8t n PHE 14 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1o8t h LEU 15 N -0.43 -0.62 -1.33 -2.13 4.07 -2.01 -2.02 115.31 110.84 1o8t h LEU 15 Ca -0.02 -0.03 0.06 0.00 0.08 0.00 0.00 57.88 57.97 1o8t h LEU 15 Cb 0.48 0.16 -0.05 0.00 1.08 0.00 0.00 40.66 42.33 1o8t h LEU 15 CO -0.01 -0.35 0.50 0.74 -1.08 0.00 0.00 178.44 178.23 1o8t h THR 16 N -0.86 1.05 -0.57 0.22 2.02 -2.01 -2.23 112.91 110.53 1o8t h THR 16 Ca -0.07 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 1o8t h THR 16 Cb 0.61 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 1o8t h THR 16 CO 0.12 0.15 0.29 -0.61 0.37 0.00 0.00 175.52 175.85 1o8t h GLN 17 N 0.83 0.81 -0.49 6.66 -0.00 -1.71 -3.19 115.11 118.02 1o8t h GLN 17 Ca 0.32 -0.11 0.14 0.00 -0.00 0.00 0.00 58.65 59.00 1o8t h GLN 17 Cb 0.20 -0.15 -0.09 0.00 0.00 0.00 0.00 27.48 27.44 1o8t h GLN 17 CO -0.11 0.64 0.03 0.28 0.00 0.00 0.00 178.83 179.68 1o8t n VAL 18 N -4.57 -0.20 0.00 2.39 0.31 -0.77 0.21 118.33 115.70 1o8t n VAL 18 Ca 0.03 1.06 -0.11 0.00 -0.01 0.00 0.00 64.34 65.32 1o8t n VAL 18 Cb 0.10 -1.57 -0.04 0.00 -0.91 0.00 0.00 33.84 31.43 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 -0.38 -0.04 5.55 6.56 -1.72 0.51 116.57 127.05 1o8t h LYS 19 Ca 0.31 0.03 -0.04 0.00 -1.06 0.00 0.00 60.65 59.88 1o8t h LYS 19 Cb 0.66 0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 32.39 1o8t h LYS 19 CO -0.45 -0.25 -0.18 0.93 -2.06 0.00 0.00 179.45 177.43 1o8t h GLU 20 N -0.39 0.07 -0.57 3.15 3.07 -0.46 -2.00 114.58 117.45 1o8t h GLU 20 Ca 0.09 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.91 1o8t h GLU 20 Cb 0.54 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.41 1o8t h GLU 20 CO -0.35 0.25 0.25 1.03 -1.40 0.00 0.00 179.01 178.79 1o8t h SER 21 N 0.06 0.77 0.10 1.42 0.87 -0.59 -2.19 113.55 114.00 1o8t h SER 21 Ca 0.01 -0.16 -0.15 0.00 -1.23 0.00 0.00 61.79 60.27 1o8t h SER 21 Cb 0.37 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 1o8t h SER 21 CO 0.03 0.72 -0.53 0.25 -0.53 0.00 0.00 176.83 176.76 1o8t h LEU 22 N 0.78 0.52 0.53 2.23 7.12 -0.51 -2.52 115.31 123.45 1o8t h LEU 22 Ca 0.19 -0.27 -0.02 0.00 0.13 0.00 0.00 57.88 57.91 1o8t h LEU 22 Cb 0.17 -0.15 -0.00 0.00 -0.53 0.00 0.00 40.66 40.15 1o8t h LEU 22 CO -0.02 0.95 -0.30 0.28 -0.13 0.00 0.00 178.44 179.22 1o8t h SER 23 N 0.36 -0.73 0.35 1.25 0.02 -1.08 -1.46 113.55 112.26 1o8t h SER 23 Ca 0.01 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1o8t h SER 23 Cb 1.05 0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.80 1o8t h SER 23 CO 0.10 -0.48 0.00 0.77 -1.14 0.00 0.00 176.83 176.07 1o8t h SER 24 N -0.77 0.00 0.39 3.07 4.64 -1.44 -2.31 113.55 117.13 1o8t h SER 24 Ca -0.07 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.24 1o8t h SER 24 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1o8t h SER 24 CO 0.09 0.00 -0.19 0.22 -0.87 0.00 0.00 176.83 176.08 1o8t h TYR 25 N 0.00 -0.48 -0.10 4.77 5.03 -0.82 -3.30 116.97 122.06 1o8t h TYR 25 Ca 0.00 -0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.26 1o8t h TYR 25 Cb 0.17 0.16 -0.01 0.00 1.55 0.00 0.00 36.73 38.61 1o8t h TYR 25 CO 0.00 -0.30 -0.13 0.11 -1.32 0.00 0.00 178.16 176.52 1o8t h TRP 26 N -1.00 0.17 -0.93 -3.82 5.08 -1.36 -1.12 115.95 112.98 1o8t h TRP 26 Ca -0.05 -0.02 0.10 0.00 1.08 0.00 0.00 58.89 60.00 1o8t h TRP 26 Cb 0.40 -0.05 -0.13 0.00 -3.00 0.00 0.00 29.16 26.39 1o8t h TRP 26 CO 0.01 0.30 -0.53 1.49 -1.28 0.00 0.00 178.44 178.43 1o8t h GLU 27 N 0.15 -0.04 -0.00 0.12 4.22 -1.49 -0.17 114.58 117.36 1o8t h GLU 27 Ca 0.03 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.48 1o8t h GLU 27 Cb 0.33 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1o8t h GLU 27 CO 0.02 -0.03 -0.65 0.43 -2.18 0.00 0.00 179.01 176.60 1o8t n SER 28 N -5.32 1.06 0.32 1.04 7.64 -1.19 -4.24 113.62 112.93 1o8t n SER 28 Ca 0.03 -0.87 0.20 0.00 1.01 0.00 0.00 58.87 59.24 1o8t n SER 28 Cb 0.30 0.56 1.07 0.00 -1.01 0.00 0.00 64.21 65.14 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 3.27 1.19 -0.25 -0.43 0.00 0.31 -2.99 119.26 120.36 1o8t h ALA 29 Ca 0.00 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1o8t h ALA 29 Cb 0.55 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1o8t h ALA 29 CO 0.00 0.01 -0.14 -0.22 0.00 0.00 0.00 179.25 178.89 1o8t h LYS 30 N 0.00 -0.12 -1.04 0.00 3.11 -1.70 -0.34 116.57 116.49 1o8t h LYS 30 Ca -0.00 0.01 0.26 0.00 -2.81 0.00 0.00 60.65 58.11 1o8t h LYS 30 Cb 0.04 0.03 -0.11 0.00 -1.00 0.00 0.00 32.23 31.19 1o8t h LYS 30 CO 0.00 -0.08 0.65 1.79 -2.81 0.00 0.00 179.45 179.00 1o8t h THR 31 N -0.12 0.51 -0.65 1.00 1.35 -1.86 0.41 112.91 113.55 1o8t h THR 31 Ca 0.14 -0.15 -0.03 0.00 -0.55 0.00 0.00 66.41 65.82 1o8t h THR 31 Cb 0.33 0.02 -0.03 0.00 -1.73 0.00 0.00 68.15 66.74 1o8t h THR 31 CO -0.33 0.08 0.31 0.00 -0.25 0.00 0.00 175.52 175.33 1o8t h ALA 32 N 1.66 0.84 -0.18 6.62 0.00 -1.23 -0.73 119.26 126.24 1o8t h ALA 32 Ca 0.62 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.43 1o8t h ALA 32 Cb 1.44 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 1o8t h ALA 32 CO -0.36 0.42 -0.46 0.00 0.00 0.00 0.00 179.25 178.84 1o8t h ALA 33 N 1.14 -0.67 -0.42 0.00 0.00 0.19 0.52 119.26 120.01 1o8t h ALA 33 Ca 0.22 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 1o8t h ALA 33 Cb 0.13 0.88 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1o8t h ALA 33 CO -0.03 -0.97 0.01 0.37 0.00 0.00 0.00 179.25 178.63 1o8t h GLN 34 N -0.50 0.68 0.00 0.00 4.15 -1.46 -1.91 115.11 116.07 1o8t h GLN 34 Ca 0.07 -0.16 -0.02 0.00 0.77 0.00 0.00 58.65 59.31 1o8t h GLN 34 Cb 0.64 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.24 1o8t h GLN 34 CO -0.44 0.69 -0.08 -0.97 -1.93 0.00 0.00 178.83 176.10 1o8t h ASN 35 N 0.64 0.00 -0.43 -0.69 -1.24 0.45 -1.44 115.58 112.87 1o8t h ASN 35 Ca 0.13 0.00 0.05 0.00 0.71 0.00 0.00 56.30 57.20 1o8t h ASN 35 Cb 0.39 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.39 1o8t h ASN 35 CO 0.01 0.08 0.16 0.25 -1.29 0.00 0.00 177.43 176.64 1o8t h LEU 36 N 0.00 0.17 -0.80 0.34 5.85 0.80 0.21 115.31 121.89 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 0.13 0.30 1.88 -0.34 0.00 0.00 178.44 180.42 1o8t h TYR 37 N 0.33 1.21 0.61 1.25 0.05 -1.33 -2.95 116.97 116.14 1o8t h TYR 37 Ca 0.20 -0.10 -0.03 0.00 0.05 0.00 0.00 58.73 58.86 1o8t h TYR 37 Cb 0.19 -0.36 -0.01 0.00 1.01 0.00 0.00 36.73 37.56 1o8t h TYR 37 CO -0.15 0.93 -0.41 0.93 -1.05 0.00 0.00 178.16 178.41 1o8t h GLU 38 N 1.15 -0.93 0.00 4.88 5.08 -0.16 -2.58 114.58 122.02 1o8t h GLU 38 Ca 0.26 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1o8t h GLU 38 Cb 0.24 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1o8t h GLU 38 CO -0.02 -0.62 0.00 0.36 -1.00 0.00 0.00 179.01 177.73 1o8t n LYS 39 N -4.96 0.03 0.10 2.33 2.85 0.53 -2.31 118.16 116.73 1o8t n LYS 39 Ca -0.12 0.52 -0.13 0.00 -1.05 0.00 0.00 58.31 57.54 1o8t n LYS 39 Cb 0.41 -1.59 -0.08 0.00 -0.65 0.00 0.00 35.03 33.11 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 0.89 -0.44 0.58 2.02 -1.28 -3.18 112.91 111.51 1o8t h THR 40 Ca 0.00 -0.70 -0.08 0.00 0.77 0.00 0.00 66.41 66.39 1o8t h THR 40 Cb 0.01 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 1o8t h THR 40 CO 0.00 0.15 -0.07 1.88 0.37 0.00 0.00 175.52 177.85 1o8t h TYR 41 N -0.64 0.82 -4.06 3.16 0.05 -1.53 -3.44 116.97 111.33 1o8t h TYR 41 Ca -0.03 -0.14 -0.50 0.00 0.05 0.00 0.00 58.73 58.12 1o8t h TYR 41 Cb 0.46 -0.22 0.06 0.00 1.01 0.00 0.00 36.73 38.04 1o8t h TYR 41 CO 0.03 0.80 0.43 -0.51 -1.05 0.00 0.00 178.16 177.87 1o8t s LEU 42 N -9.06 3.83 -0.18 3.88 1.43 -1.15 -4.95 118.68 112.48 1o8t s LEU 42 Ca -0.09 2.15 0.06 0.00 -1.03 0.00 0.00 54.13 55.22 1o8t s LEU 42 Cb 0.14 -4.50 0.45 0.00 0.03 0.00 0.00 46.19 42.32 1o8t s LEU 42 CO 0.81 -1.05 1.34 -0.81 0.23 0.00 0.00 176.35 176.87 1o8t n PRO 43 N -1.04 2.79 0.20 1.29 -0.04 -1.26 -4.40 135.00 132.54 1o8t n PRO 43 Ca 0.10 -1.83 0.14 0.00 -0.04 0.00 0.00 63.50 61.88 1o8t n PRO 43 Cb 0.51 -1.87 0.66 0.00 -0.04 0.00 0.00 33.50 32.76 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 2.60 1.00 -0.54 0.55 0.00 -1.93 -3.30 119.26 117.65 1o8t h ALA 44 Ca 0.12 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1o8t h ALA 44 Cb 1.61 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 19.31 1o8t h ALA 44 CO 0.41 0.00 -0.57 0.28 0.00 0.00 0.00 179.25 179.37 1o8t h VAL 45 N 0.00 0.00 -0.02 0.00 2.07 -1.86 0.14 116.25 116.57 1o8t h VAL 45 Ca 0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 1o8t h VAL 45 Cb 0.24 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 1o8t h VAL 45 CO 0.00 0.00 -0.22 -0.78 0.02 0.00 0.00 177.57 176.59 1o8t h ASP 46 N -0.31 0.04 -0.48 0.57 3.58 -1.96 -2.80 116.42 115.06 1o8t h ASP 46 Ca 0.09 -0.01 -0.11 0.00 0.42 0.00 0.00 57.03 57.42 1o8t h ASP 46 Cb 0.55 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 1o8t h ASP 46 CO -0.67 0.26 -0.13 -0.08 -2.88 0.00 0.00 179.24 175.74 1o8t h GLU 47 N 0.04 0.93 0.00 0.28 4.22 -1.20 -2.88 114.58 115.96 1o8t h GLU 47 Ca 0.01 -0.36 -0.00 0.00 0.08 0.00 0.00 59.36 59.08 1o8t h GLU 47 Cb 0.41 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1o8t h GLU 47 CO 0.03 1.02 -0.02 0.87 -2.18 0.00 0.00 179.01 178.73 1o8t h LYS 48 N 0.78 0.00 0.52 1.92 1.79 -0.54 0.13 116.57 121.16 1o8t h LYS 48 Ca 0.12 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.56 1o8t h LYS 48 Cb 0.69 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.34 1o8t h LYS 48 CO 0.05 0.02 -0.25 -0.07 -1.08 0.00 0.00 179.45 178.12 1o8t h LEU 49 N 0.00 -0.59 -1.74 2.94 -0.00 -1.49 -1.81 115.31 112.62 1o8t h LEU 49 Ca -0.00 0.02 -0.03 0.00 -0.00 0.00 0.00 57.88 57.87 1o8t h LEU 49 Cb 0.05 0.15 -0.00 0.00 -0.00 0.00 0.00 40.66 40.86 1o8t h LEU 49 CO 0.00 -0.37 -0.14 -0.09 -0.00 0.00 0.00 178.44 177.84 1o8t h ARG 50 N -0.79 0.00 0.17 1.13 2.43 -1.58 -2.89 114.38 112.85 1o8t h ARG 50 Ca -0.07 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1o8t h ARG 50 Cb 0.53 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 1o8t h ARG 50 CO 0.12 0.14 -0.26 0.22 -1.51 0.00 0.00 179.97 178.68 1o8t h ASP 51 N 0.00 -0.72 0.11 -3.80 1.82 -0.61 -0.79 116.42 112.43 1o8t h ASP 51 Ca -0.00 0.08 -0.02 0.00 -0.39 0.00 0.00 57.03 56.69 1o8t h ASP 51 Cb 0.26 0.26 -0.00 0.00 0.68 0.00 0.00 39.33 40.53 1o8t h ASP 51 CO 0.02 -0.36 -0.11 0.25 -1.61 0.00 0.00 179.24 177.43 1o8t h LEU 52 N -0.50 0.00 -0.36 2.28 5.85 -1.13 -2.45 115.31 119.01 1o8t h LEU 52 Ca 0.01 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 1o8t h LEU 52 Cb 0.50 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1o8t h LEU 52 CO -0.11 0.12 -0.09 1.88 -0.34 0.00 0.00 178.44 179.89 1o8t h TYR 53 N 0.00 0.78 0.22 1.25 0.05 -1.18 0.17 116.97 118.27 1o8t h TYR 53 Ca -0.00 -0.17 -0.01 0.00 0.05 0.00 0.00 58.73 58.60 1o8t h TYR 53 Cb 0.20 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 37.75 1o8t h TYR 53 CO 0.00 0.85 -0.11 0.77 -1.05 0.00 0.00 178.16 178.63 1o8t h SER 54 N 0.49 -0.25 -0.63 3.88 0.02 -0.72 -2.31 113.55 114.02 1o8t h SER 54 Ca 0.09 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1o8t h SER 54 Cb 0.60 0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.18 1o8t h SER 54 CO 0.04 -0.14 0.34 0.11 -1.14 0.00 0.00 176.83 176.04 1o8t h LYS 55 N -0.35 0.89 0.00 3.45 1.57 -1.48 -2.34 116.57 118.30 1o8t h LYS 55 Ca -0.03 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1o8t h LYS 55 Cb 0.27 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1o8t h LYS 55 CO 0.05 0.68 0.00 0.77 -0.57 0.00 0.00 179.45 180.38 1o8t h SER 56 N 0.87 0.00 0.52 0.86 0.02 -0.80 -1.78 113.55 113.24 1o8t h SER 56 Ca 0.22 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 1o8t h SER 56 Cb 0.06 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 1o8t h SER 56 CO -0.03 0.00 -0.33 0.74 -1.14 0.00 0.00 176.83 176.06 1o8t h THR 57 N 0.00 0.31 0.10 -2.27 2.02 -0.84 -1.11 112.91 111.13 1o8t h THR 57 Ca 0.00 0.00 -0.30 0.00 0.77 0.00 0.00 66.41 66.88 1o8t h THR 57 Cb 0.12 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 1o8t h THR 57 CO 0.00 0.00 -1.61 0.00 0.37 0.00 0.00 175.52 174.28 1o8t h ALA 58 N -0.42 0.28 0.71 6.16 0.00 -1.71 -3.27 119.26 121.01 1o8t h ALA 58 Ca -0.06 -1.22 -0.03 0.00 0.00 0.00 0.00 54.91 53.60 1o8t h ALA 58 Cb 0.67 0.61 0.01 0.00 0.00 0.00 0.00 17.79 19.08 1o8t h ALA 58 CO 0.05 0.98 -0.34 0.00 0.00 0.00 0.00 179.25 179.94 1o8t h ALA 59 N -0.08 -1.13 0.00 0.00 0.00 -1.43 -3.09 119.26 113.53 1o8t h ALA 59 Ca -0.36 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.34 1o8t h ALA 59 Cb 1.79 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 19.95 1o8t h ALA 59 CO 0.02 -1.06 -0.02 1.98 0.00 0.00 0.00 179.25 180.18 1o8t h MET 60 N -1.05 0.00 0.00 0.00 4.05 -1.37 -1.87 114.93 114.69 1o8t h MET 60 Ca -0.10 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.32 1o8t h MET 60 Cb 0.73 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.53 1o8t h MET 60 CO 0.16 0.02 0.00 0.77 0.23 0.00 0.00 176.91 178.09 1o8t h SER 61 N 0.00 0.00 0.00 1.39 0.02 -1.47 -0.25 113.55 113.25 1o8t h SER 61 Ca -0.00 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.52 1o8t h SER 61 Cb 0.10 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.57 1o8t h SER 61 CO 0.00 0.00 -2.45 0.35 -1.14 0.00 0.00 176.83 173.59 1o8t n THR 62 N -2.97 1.43 0.30 -2.27 -2.24 -0.73 -4.36 114.28 103.45 1o8t n THR 62 Ca -0.00 -0.39 0.17 0.00 -2.27 0.00 0.00 64.05 61.57 1o8t n THR 62 Cb 0.23 -1.80 0.82 0.00 -2.10 0.00 0.00 70.33 67.48 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 -0.83 0.00 0.41 4.78 0.05 -1.52 -0.07 116.97 119.79 1o8t h TYR 63 Ca -0.65 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.11 1o8t h TYR 63 Cb 1.61 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.36 1o8t h TYR 63 CO -0.07 0.00 -0.20 1.15 -1.05 0.00 0.00 178.16 177.99 1o8t h THR 64 N 0.00 0.34 -0.40 -2.88 2.02 -1.24 0.51 112.91 111.25 1o8t h THR 64 Ca 0.00 -0.63 -0.09 0.00 0.77 0.00 0.00 66.41 66.46 1o8t h THR 64 Cb 0.24 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 1o8t h THR 64 CO 0.00 0.07 -0.13 1.23 0.37 0.00 0.00 175.52 177.06 1o8t h GLY 65 N -1.02 0.77 0.83 2.16 0.00 -1.72 -2.23 103.07 101.86 1o8t h GLY 65 Ca -0.06 -0.58 -0.03 0.00 0.00 0.00 0.00 47.33 46.66 1o8t h GLY 65 CO 0.09 0.53 -0.31 -2.22 0.00 0.00 0.00 176.54 174.63 1o8t h ILE 66 N 0.64 0.26 -0.23 2.60 2.04 -1.03 0.11 117.51 121.91 1o8t h ILE 66 Ca 0.11 -0.24 0.06 0.00 1.00 0.00 0.00 64.86 65.79 1o8t h ILE 66 Cb 0.59 0.32 -0.07 0.00 -0.74 0.00 0.00 36.82 36.92 1o8t h ILE 66 CO 0.04 0.02 -0.31 -0.26 0.00 0.00 0.00 178.15 177.64 1o8t h PHE 67 N -1.05 -0.87 0.00 1.37 -1.00 0.03 0.53 116.94 115.95 1o8t h PHE 67 Ca -0.09 0.04 -0.02 0.00 2.81 0.00 0.00 57.97 60.71 1o8t h PHE 67 Cb 0.71 0.42 -0.00 0.00 3.61 0.00 0.00 35.95 40.68 1o8t h PHE 67 CO -0.00 -0.39 -0.11 1.79 -1.61 0.00 0.00 178.31 178.00 1o8t h THR 68 N -0.34 0.53 0.01 -1.55 1.35 -1.44 -2.93 112.91 108.55 1o8t h THR 68 Ca 0.12 -0.49 0.02 0.00 -0.55 0.00 0.00 66.41 65.51 1o8t h THR 68 Cb 0.53 1.32 -0.02 0.00 -1.73 0.00 0.00 68.15 68.25 1o8t h THR 68 CO -0.41 0.10 -0.12 -0.78 -0.25 0.00 0.00 175.52 174.06 1o8t h ASP 69 N 0.00 -0.33 0.66 5.36 1.82 0.16 0.11 116.42 124.19 1o8t h ASP 69 Ca -0.00 0.05 -0.07 0.00 -0.39 0.00 0.00 57.03 56.62 1o8t h ASP 69 Cb 0.32 0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.46 1o8t h ASP 69 CO 0.01 -0.17 -0.33 1.56 -1.61 0.00 0.00 179.24 178.71 1o8t h GLN 70 N -0.21 0.00 0.26 0.28 7.50 -1.34 -1.30 115.11 120.31 1o8t h GLN 70 Ca 0.04 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.18 1o8t h GLN 70 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.78 1o8t h GLN 70 CO -0.11 0.33 -0.13 0.28 -1.50 0.00 0.00 178.83 177.70 1o8t h VAL 71 N 0.00 0.75 -0.85 -0.54 2.07 -1.23 -1.36 116.25 115.09 1o8t h VAL 71 Ca -0.00 -0.71 0.07 0.00 0.82 0.00 0.00 66.70 66.88 1o8t h VAL 71 Cb 0.74 1.12 -0.06 0.00 -1.52 0.00 0.00 31.29 31.57 1o8t h VAL 71 CO 0.04 0.14 0.55 -0.07 0.02 0.00 0.00 177.57 178.25 1o8t h LEU 72 N -0.75 0.80 -0.64 2.57 4.07 -0.77 -1.28 115.31 119.31 1o8t h LEU 72 Ca -0.04 0.01 0.04 0.00 0.08 0.00 0.00 57.88 57.97 1o8t h LEU 72 Cb 0.50 -0.16 -0.05 0.00 1.08 0.00 0.00 40.66 42.03 1o8t h LEU 72 CO 0.06 0.51 0.38 -1.28 -1.08 0.00 0.00 178.44 177.02 1o8t h SER 73 N 0.91 0.60 0.95 -0.43 0.87 -1.02 -0.39 113.55 115.04 1o8t h SER 73 Ca 0.37 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.95 1o8t h SER 73 Cb 0.28 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1o8t h SER 73 CO -0.14 0.40 0.00 -0.37 -0.53 0.00 0.00 176.83 176.19 1o8t h VAL 74 N 0.73 0.00 -0.57 2.23 -1.51 -0.09 -2.89 116.25 114.14 1o8t h VAL 74 Ca 0.27 -0.39 -0.06 0.00 -1.23 0.00 0.00 66.70 65.29 1o8t h VAL 74 Cb 0.09 1.25 -0.03 0.00 -2.13 0.00 0.00 31.29 30.47 1o8t h VAL 74 CO -0.14 0.00 0.11 0.25 -1.23 0.00 0.00 177.57 176.56 1o8t h LEU 75 N 0.00 0.86 -0.20 4.19 5.85 -0.48 -2.79 115.31 122.74 1o8t h LEU 75 Ca 0.00 -0.18 -0.13 0.00 0.84 0.00 0.00 57.88 58.42 1o8t h LEU 75 Cb 0.48 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.28 1o8t h LEU 75 CO 0.00 0.86 -0.36 0.11 -0.34 0.00 0.00 178.44 178.70 1o8t h LYS 76 N 0.87 0.60 -1.63 1.25 6.56 -1.47 -1.77 116.57 120.98 1o8t h LYS 76 Ca 0.18 -0.38 -0.59 0.00 -1.06 0.00 0.00 60.65 58.80 1o8t h LYS 76 Cb 0.36 0.04 -0.23 0.00 -0.57 0.00 0.00 32.23 31.83 1o8t h LYS 76 CO 0.01 0.99 0.73 0.41 -2.06 0.00 0.00 179.45 179.52 1o8t n GLY 77 N 0.38 5.07 0.40 3.86 0.00 -1.12 -4.62 105.19 109.16 1o8t n GLY 77 Ca -0.06 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.14 0.00 0.00 1.61 2.13 -1.07 -4.97 120.64 118.20 1o8t n GLU 78 Ca 0.51 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.33 1o8t n GLU 78 Cb 0.49 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.20 1o8t n GLU 78 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81