#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o8t n GLN 2 N 0.00 3.39 -3.99 -0.78 3.00 -1.26 -4.91 117.38 112.83 1o8t n GLN 2 Ca 0.00 -3.38 -0.09 0.00 -0.01 0.00 0.00 57.00 53.51 1o8t n GLN 2 Cb 0.00 -3.07 -0.08 0.00 0.00 0.00 0.00 30.24 27.10 1o8t n GLN 2 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 1o8t s GLN 3 N 1.48 1.02 -1.20 -1.09 -1.52 -1.26 -5.07 119.66 112.03 1o8t s GLN 3 Ca 0.43 -1.20 -0.17 0.00 -1.95 0.00 0.00 55.36 52.47 1o8t s GLN 3 Cb 0.08 0.33 -0.04 0.00 -0.22 0.00 0.00 33.01 33.16 1o8t s GLN 3 CO -0.01 -0.34 2.14 -0.35 -0.25 0.00 0.00 175.29 176.48 1o8t n PRO 4 N -0.14 2.36 0.03 2.91 -0.04 -1.26 -4.67 135.00 134.18 1o8t n PRO 4 Ca -0.09 -2.28 -0.12 0.00 -0.04 0.00 0.00 63.50 60.97 1o8t n PRO 4 Cb 0.63 -3.12 -0.09 0.00 -0.04 0.00 0.00 33.50 30.88 1o8t n PRO 4 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1o8t h GLN 5 N 6.68 -0.15 -7.31 0.54 7.50 -1.97 -3.46 115.11 116.94 1o8t h GLN 5 Ca 0.52 0.01 -0.43 0.00 0.50 0.00 0.00 58.65 59.25 1o8t h GLN 5 Cb 0.63 0.03 0.18 0.00 0.05 0.00 0.00 27.48 28.38 1o8t h GLN 5 CO 1.91 0.34 0.12 -0.65 -1.50 0.00 0.00 178.83 179.05 1o8t s GLN 6 N -3.55 -0.63 0.31 1.46 1.11 -1.26 -4.98 119.66 112.12 1o8t s GLN 6 Ca -0.14 0.33 -0.29 0.00 0.01 0.00 0.00 55.36 55.27 1o8t s GLN 6 Cb 0.00 -1.63 -0.10 0.00 -1.01 0.00 0.00 33.01 30.28 1o8t s GLN 6 CO 0.54 -3.40 1.18 0.34 0.01 0.00 0.00 175.29 173.96 1o8t s ASP 7 N -3.43 7.01 0.09 5.90 2.15 -1.26 -4.98 116.67 122.16 1o8t s ASP 7 Ca 0.68 2.43 -0.31 0.00 0.43 0.00 0.00 52.55 55.78 1o8t s ASP 7 Cb -0.16 -2.63 -0.07 0.00 -0.30 0.00 0.00 42.92 39.75 1o8t s ASP 7 CO 0.58 -0.34 1.35 -0.70 -0.17 0.00 0.00 175.17 175.89 1o8t s GLU 8 N -1.66 4.34 -0.21 4.34 -6.30 -1.26 -4.96 118.70 113.00 1o8t s GLU 8 Ca 0.47 2.00 -0.29 0.00 -2.50 0.00 0.00 54.97 54.65 1o8t s GLU 8 Cb -0.35 -3.29 -0.03 0.00 0.00 0.00 0.00 34.13 30.46 1o8t s GLU 8 CO 0.45 -0.41 1.65 -1.64 0.02 0.00 0.00 175.26 175.34 1o8t s MET 9 N 1.19 3.78 0.64 4.30 -1.94 -1.26 -5.01 119.30 121.00 1o8t s MET 9 Ca 0.63 1.71 -0.11 0.00 -1.71 0.00 0.00 55.69 56.21 1o8t s MET 9 Cb -0.35 -4.05 0.15 0.00 2.01 0.00 0.00 34.83 32.59 1o8t s MET 9 CO 0.30 -1.32 0.78 -0.35 -0.01 0.00 0.00 175.02 174.42 1o8t n PRO 10 N 7.70 -1.18 -2.40 2.03 -0.04 -1.26 -5.02 135.00 134.83 1o8t n PRO 10 Ca 0.19 -1.22 -0.40 0.00 -0.04 0.00 0.00 63.50 62.04 1o8t n PRO 10 Cb 0.45 -0.88 -0.04 0.00 -0.04 0.00 0.00 33.50 32.99 1o8t n PRO 10 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1o8t s SER 11 N -3.82 7.06 0.57 3.54 0.15 -1.26 -5.00 113.70 114.93 1o8t s SER 11 Ca 0.46 2.32 -0.20 0.00 0.70 0.00 0.00 55.95 59.23 1o8t s SER 11 Cb -0.02 -2.63 -0.04 0.00 -1.71 0.00 0.00 66.02 61.62 1o8t s SER 11 CO 0.33 -0.30 1.25 -2.16 1.20 0.00 0.00 173.24 173.56 1o8t s PRO 12 N -1.69 3.08 0.04 5.44 0.04 -1.26 -4.96 135.00 135.69 1o8t s PRO 12 Ca 0.48 1.96 -0.31 0.00 0.04 0.00 0.00 61.00 63.17 1o8t s PRO 12 Cb -0.32 -2.08 -0.06 0.00 0.04 0.00 0.00 34.50 32.08 1o8t s PRO 12 CO 0.41 -1.16 1.32 -0.08 0.04 0.00 0.00 177.00 177.53 1o8t s THR 13 N -1.48 3.77 -0.17 1.26 -1.32 -1.26 -4.92 115.64 111.52 1o8t s THR 13 Ca 0.75 1.22 0.13 0.00 -1.21 0.00 0.00 61.69 62.57 1o8t s THR 13 Cb -0.34 -3.78 -0.20 0.00 -1.51 0.00 0.00 72.50 66.67 1o8t s THR 13 CO 0.38 0.05 0.02 0.49 -2.21 0.00 0.00 174.62 173.35 1o8t n PHE 14 N 4.57 0.00 0.03 9.09 3.72 -1.26 -4.47 117.46 129.15 1o8t n PHE 14 Ca 0.11 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.53 1o8t n PHE 14 Cb 0.44 -0.82 0.37 0.00 -0.94 0.00 0.00 39.48 38.54 1o8t n PHE 14 CO 0.00 0.00 0.00 1.37 -0.05 0.00 0.00 176.76 178.08 1o8t h LEU 15 N 0.00 0.41 -0.75 4.37 8.10 -2.01 -2.67 115.31 122.76 1o8t h LEU 15 Ca -0.46 -0.05 0.05 0.00 0.11 0.00 0.00 57.88 57.53 1o8t h LEU 15 Cb 1.98 -0.11 -0.05 0.00 -0.44 0.00 0.00 40.66 42.04 1o8t h LEU 15 CO 0.01 0.43 0.46 0.74 -4.11 0.00 0.00 178.44 175.96 1o8t h THR 16 N 0.45 1.05 0.44 0.15 2.02 -1.99 -2.82 112.91 112.20 1o8t h THR 16 Ca 0.11 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 1o8t h THR 16 Cb 0.19 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 1o8t h THR 16 CO -0.00 0.16 -0.21 -0.61 0.37 0.00 0.00 175.52 175.22 1o8t h GLN 17 N 0.86 -0.57 -0.53 6.66 4.15 -1.72 -3.19 115.11 120.78 1o8t h GLN 17 Ca 0.32 0.04 0.10 0.00 0.77 0.00 0.00 58.65 59.88 1o8t h GLN 17 Cb 0.11 0.13 -0.09 0.00 0.21 0.00 0.00 27.48 27.84 1o8t h GLN 17 CO -0.15 -0.33 -0.16 0.28 -1.93 0.00 0.00 178.83 176.54 1o8t n VAL 18 N -5.31 -0.24 -0.09 2.39 0.31 -1.07 0.39 118.33 114.72 1o8t n VAL 18 Ca -0.11 1.21 -0.06 0.00 -0.01 0.00 0.00 64.34 65.37 1o8t n VAL 18 Cb 0.27 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 31.55 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 -0.11 -0.05 5.55 6.56 -1.57 -0.23 116.57 126.73 1o8t h LYS 19 Ca 0.23 0.01 -0.04 0.00 -1.06 0.00 0.00 60.65 59.78 1o8t h LYS 19 Cb 0.36 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 32.03 1o8t h LYS 19 CO -0.53 -0.07 -0.18 0.93 -2.06 0.00 0.00 179.45 177.54 1o8t h GLU 20 N -0.11 0.08 -0.41 3.15 3.07 -0.19 -1.61 114.58 118.55 1o8t h GLU 20 Ca 0.17 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.99 1o8t h GLU 20 Cb 0.37 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.25 1o8t h GLU 20 CO -0.40 0.26 0.18 0.77 -1.40 0.00 0.00 179.01 178.42 1o8t h SER 21 N 0.07 0.55 0.04 1.42 0.02 -0.35 -1.82 113.55 113.48 1o8t h SER 21 Ca 0.01 -0.15 -0.15 0.00 -0.84 0.00 0.00 61.79 60.66 1o8t h SER 21 Cb 0.36 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1o8t h SER 21 CO 0.02 0.55 -0.52 0.25 -1.14 0.00 0.00 176.83 175.99 1o8t h LEU 22 N 0.52 0.58 0.20 5.07 7.12 -0.92 -2.70 115.31 125.18 1o8t h LEU 22 Ca 0.14 -0.30 -0.00 0.00 0.13 0.00 0.00 57.88 57.84 1o8t h LEU 22 Cb 0.15 -0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 40.11 1o8t h LEU 22 CO -0.01 1.00 -0.13 0.28 -0.13 0.00 0.00 178.44 179.44 1o8t h SER 23 N 0.41 -0.33 0.39 1.25 0.02 -1.07 -1.09 113.55 113.13 1o8t h SER 23 Ca 0.01 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1o8t h SER 23 Cb 1.05 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1o8t h SER 23 CO 0.10 -0.21 0.00 0.28 -1.14 0.00 0.00 176.83 175.86 1o8t h SER 24 N -0.33 0.00 -0.04 3.07 0.02 -1.36 -2.34 113.55 112.57 1o8t h SER 24 Ca -0.02 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.71 1o8t h SER 24 Cb 0.28 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.84 1o8t h SER 24 CO 0.01 0.00 -0.87 0.22 -1.14 0.00 0.00 176.83 175.05 1o8t h TYR 25 N 0.00 0.95 -0.65 3.45 5.03 -0.89 -3.26 116.97 121.60 1o8t h TYR 25 Ca 0.00 -0.49 -0.05 0.00 2.58 0.00 0.00 58.73 60.77 1o8t h TYR 25 Cb 0.20 -0.12 -0.03 0.00 1.55 0.00 0.00 36.73 38.33 1o8t h TYR 25 CO 0.00 1.32 0.19 2.35 -1.32 0.00 0.00 178.16 180.70 1o8t h TRP 26 N 0.32 1.02 -0.90 -3.82 7.01 -0.74 -0.06 115.95 118.78 1o8t h TRP 26 Ca -0.10 -0.10 0.10 0.00 2.11 0.00 0.00 58.89 60.90 1o8t h TRP 26 Cb 1.53 -0.30 -0.12 0.00 -2.10 0.00 0.00 29.16 28.17 1o8t h TRP 26 CO 0.11 0.83 -0.54 0.93 -2.79 0.00 0.00 178.44 176.97 1o8t h GLU 27 N 0.96 -0.06 0.00 2.65 4.39 -1.57 0.22 114.58 121.17 1o8t h GLU 27 Ca 0.21 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.91 1o8t h GLU 27 Cb 0.29 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1o8t h GLU 27 CO -0.01 -0.04 -0.43 -1.13 -1.16 0.00 0.00 179.01 176.25 1o8t n SER 28 N -5.31 0.70 0.27 1.42 3.41 -1.19 -3.87 113.62 109.05 1o8t n SER 28 Ca 0.03 0.24 0.11 0.00 -0.26 0.00 0.00 58.87 58.98 1o8t n SER 28 Cb 0.30 -0.12 0.73 0.00 -0.26 0.00 0.00 64.21 64.87 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 2.56 1.74 -0.09 7.33 0.00 0.14 -2.96 119.26 127.99 1o8t h ALA 29 Ca 0.00 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1o8t h ALA 29 Cb 0.72 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 1o8t h ALA 29 CO 0.00 0.04 -0.25 -0.22 0.00 0.00 0.00 179.25 178.82 1o8t h LYS 30 N 0.00 -0.32 -1.04 0.00 3.64 -1.56 -0.44 116.57 116.85 1o8t h LYS 30 Ca -0.00 0.02 0.27 0.00 -1.27 0.00 0.00 60.65 59.67 1o8t h LYS 30 Cb 0.06 0.07 -0.11 0.00 -0.41 0.00 0.00 32.23 31.85 1o8t h LYS 30 CO 0.00 -0.21 0.65 1.79 -2.27 0.00 0.00 179.45 179.41 1o8t h THR 31 N -0.33 0.51 -0.49 1.00 1.35 -1.80 0.38 112.91 113.52 1o8t h THR 31 Ca 0.09 -0.15 -0.02 0.00 -0.55 0.00 0.00 66.41 65.78 1o8t h THR 31 Cb 0.46 0.03 -0.02 0.00 -1.73 0.00 0.00 68.15 66.89 1o8t h THR 31 CO -0.28 0.08 0.24 0.00 -0.25 0.00 0.00 175.52 175.31 1o8t h ALA 32 N 1.66 0.64 -0.35 6.62 0.00 -1.20 -0.33 119.26 126.29 1o8t h ALA 32 Ca 0.62 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.49 1o8t h ALA 32 Cb 1.47 -0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.98 1o8t h ALA 32 CO -0.36 0.20 -0.30 0.00 0.00 0.00 0.00 179.25 178.79 1o8t h ALA 33 N 1.08 -0.16 -0.61 0.00 0.00 0.36 0.57 119.26 120.49 1o8t h ALA 33 Ca 0.17 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1o8t h ALA 33 Cb 0.12 0.65 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1o8t h ALA 33 CO -0.02 -0.71 0.13 1.96 0.00 0.00 0.00 179.25 180.61 1o8t h GLN 34 N -0.25 0.97 0.00 0.00 7.50 -1.38 -1.87 115.11 120.07 1o8t h GLN 34 Ca 0.16 -0.22 -0.01 0.00 0.50 0.00 0.00 58.65 59.08 1o8t h GLN 34 Cb 0.52 -0.13 -0.00 0.00 0.05 0.00 0.00 27.48 27.92 1o8t h GLN 34 CO -0.50 0.88 -0.06 -0.97 -1.50 0.00 0.00 178.83 176.68 1o8t h ASN 35 N 0.92 0.00 -0.39 1.46 -0.73 0.88 -1.60 115.58 116.13 1o8t h ASN 35 Ca 0.19 0.00 0.05 0.00 1.87 0.00 0.00 56.30 58.41 1o8t h ASN 35 Cb 0.36 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 38.90 1o8t h ASN 35 CO 0.00 0.06 0.12 0.25 -0.37 0.00 0.00 177.43 177.49 1o8t h LEU 36 N 0.00 0.10 -1.14 0.34 6.46 0.90 0.11 115.31 122.09 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 0.13 0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.09 1o8t h LEU 36 CO 0.01 0.09 0.10 1.88 -0.62 0.00 0.00 178.44 179.90 1o8t h TYR 37 N 0.27 0.72 0.60 1.25 0.05 -1.36 -3.02 116.97 115.48 1o8t h TYR 37 Ca 0.18 -0.06 -0.02 0.00 0.05 0.00 0.00 58.73 58.88 1o8t h TYR 37 Cb 0.18 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 37.70 1o8t h TYR 37 CO -0.16 0.62 -0.42 0.93 -1.05 0.00 0.00 178.16 178.08 1o8t h GLU 38 N 0.68 -0.95 0.00 4.88 3.07 -0.42 -2.24 114.58 119.60 1o8t h GLU 38 Ca 0.15 0.06 0.00 0.00 -0.50 0.00 0.00 59.36 59.08 1o8t h GLU 38 Cb 0.27 0.22 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 1o8t h GLU 38 CO -0.00 -0.63 0.00 0.36 -1.40 0.00 0.00 179.01 177.34 1o8t n LYS 39 N -5.54 0.02 -0.03 2.33 2.85 -0.28 -2.27 118.16 115.24 1o8t n LYS 39 Ca -0.13 0.36 -0.16 0.00 -1.05 0.00 0.00 58.31 57.34 1o8t n LYS 39 Cb 0.43 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 33.23 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 1.38 -0.23 0.58 2.02 -1.27 -3.31 112.91 112.08 1o8t h THR 40 Ca 0.00 -1.78 -0.03 0.00 0.77 0.00 0.00 66.41 65.36 1o8t h THR 40 Cb 0.07 2.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.66 1o8t h THR 40 CO 0.00 0.53 0.01 1.88 0.37 0.00 0.00 175.52 178.31 1o8t h TYR 41 N 0.07 0.43 -3.82 3.16 0.05 -1.48 -3.44 116.97 111.94 1o8t h TYR 41 Ca -0.03 -0.07 -0.48 0.00 0.05 0.00 0.00 58.73 58.20 1o8t h TYR 41 Cb 1.09 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 38.69 1o8t h TYR 41 CO 0.11 0.56 0.20 -0.51 -1.05 0.00 0.00 178.16 177.47 1o8t s LEU 42 N -9.53 4.10 -0.23 3.88 1.02 -1.23 -4.98 118.68 111.71 1o8t s LEU 42 Ca -0.14 1.48 0.03 0.00 0.02 0.00 0.00 54.13 55.52 1o8t s LEU 42 Cb 0.07 -4.14 0.37 0.00 0.02 0.00 0.00 46.19 42.52 1o8t s LEU 42 CO 0.74 -0.20 1.46 -0.81 0.02 0.00 0.00 176.35 177.56 1o8t n PRO 43 N -0.19 1.85 0.20 1.29 -0.04 -1.26 -4.45 135.00 132.40 1o8t n PRO 43 Ca 0.04 -1.64 0.14 0.00 -0.04 0.00 0.00 63.50 62.00 1o8t n PRO 43 Cb 0.53 -1.67 0.66 0.00 -0.04 0.00 0.00 33.50 32.98 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 1.65 1.00 -0.82 0.55 0.00 -1.94 -3.25 119.26 116.46 1o8t h ALA 44 Ca 0.31 0.00 0.19 0.00 0.00 0.00 0.00 54.91 55.41 1o8t h ALA 44 Cb 1.94 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 19.58 1o8t h ALA 44 CO 0.56 0.00 0.00 -0.39 0.00 0.00 0.00 179.25 179.43 1o8t h VAL 45 N 0.00 0.26 -0.04 0.00 -1.51 -1.86 0.31 116.25 113.42 1o8t h VAL 45 Ca 0.00 -0.03 -0.19 0.00 -1.23 0.00 0.00 66.70 65.25 1o8t h VAL 45 Cb 0.24 0.17 -0.01 0.00 -2.13 0.00 0.00 31.29 29.56 1o8t h VAL 45 CO 0.00 0.02 -0.79 -0.78 -1.23 0.00 0.00 177.57 174.79 1o8t h ASP 46 N 0.09 0.37 0.58 4.19 3.58 -1.96 -3.03 116.42 120.23 1o8t h ASP 46 Ca 0.46 -0.26 -0.03 0.00 0.42 0.00 0.00 57.03 57.61 1o8t h ASP 46 Cb 0.83 -0.11 0.01 0.00 1.72 0.00 0.00 39.33 41.78 1o8t h ASP 46 CO -0.73 1.02 -0.28 -0.08 -2.88 0.00 0.00 179.24 176.29 1o8t h GLU 47 N 0.19 -0.75 -0.47 0.28 4.22 -0.97 -3.05 114.58 114.03 1o8t h GLU 47 Ca -0.04 0.05 0.14 0.00 0.08 0.00 0.00 59.36 59.59 1o8t h GLU 47 Cb 1.38 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.78 1o8t h GLU 47 CO 0.13 -0.47 0.44 0.87 -2.18 0.00 0.00 179.01 177.81 1o8t h LYS 48 N -1.16 0.00 0.32 1.92 1.57 -0.65 0.44 116.57 119.01 1o8t h LYS 48 Ca -0.08 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1o8t h LYS 48 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1o8t h LYS 48 CO 0.13 0.00 -0.16 -0.07 -0.57 0.00 0.00 179.45 178.78 1o8t h LEU 49 N 0.00 -0.37 -1.50 2.94 3.38 -1.45 -0.82 115.31 117.49 1o8t h LEU 49 Ca 0.22 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 1o8t h LEU 49 Cb 1.11 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1o8t h LEU 49 CO -0.00 -0.23 -0.04 0.03 0.09 0.00 0.00 178.44 178.29 1o8t h ARG 50 N -0.50 0.28 0.52 1.13 2.47 -1.34 -1.55 114.38 115.39 1o8t h ARG 50 Ca -0.04 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.61 1o8t h ARG 50 Cb 0.33 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.59 1o8t h ARG 50 CO 0.07 0.34 -0.43 0.22 0.56 0.00 0.00 179.97 180.73 1o8t h ASP 51 N 0.27 -1.13 0.92 7.04 1.82 -0.09 -1.93 116.42 123.32 1o8t h ASP 51 Ca 0.06 0.08 -0.00 0.00 -0.39 0.00 0.00 57.03 56.78 1o8t h ASP 51 Cb 0.25 0.36 -0.00 0.00 0.68 0.00 0.00 39.33 40.61 1o8t h ASP 51 CO 0.01 -0.60 -0.01 -0.07 -1.61 0.00 0.00 179.24 176.96 1o8t h LEU 52 N -0.92 0.00 -0.17 2.28 4.07 -1.08 -3.09 115.31 116.40 1o8t h LEU 52 Ca -0.07 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.85 1o8t h LEU 52 Cb 0.77 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.51 1o8t h LEU 52 CO 0.00 0.01 -0.04 1.88 -1.08 0.00 0.00 178.44 179.21 1o8t h TYR 53 N 0.00 0.38 0.01 1.13 -1.99 -0.88 0.08 116.97 115.70 1o8t h TYR 53 Ca -0.00 -0.08 -0.00 0.00 2.00 0.00 0.00 58.73 60.65 1o8t h TYR 53 Cb 0.47 -0.09 0.00 0.00 2.00 0.00 0.00 36.73 39.11 1o8t h TYR 53 CO 0.00 0.60 -0.00 0.77 -0.00 0.00 0.00 178.16 179.53 1o8t h SER 54 N 0.05 -0.01 -0.48 3.88 0.02 -1.28 -2.11 113.55 113.62 1o8t h SER 54 Ca 0.04 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1o8t h SER 54 Cb 0.48 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 1o8t h SER 54 CO 0.02 0.05 0.25 0.11 -1.14 0.00 0.00 176.83 176.12 1o8t h LYS 55 N -0.06 0.67 0.00 3.45 1.57 -1.57 -2.60 116.57 118.03 1o8t h LYS 55 Ca -0.00 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1o8t h LYS 55 Cb 0.06 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 1o8t h LYS 55 CO 0.00 0.54 -0.05 0.77 -0.57 0.00 0.00 179.45 180.15 1o8t h SER 56 N 0.63 0.00 -0.83 0.86 0.02 -0.84 -2.87 113.55 110.52 1o8t h SER 56 Ca 0.17 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.16 1o8t h SER 56 Cb 0.07 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.56 1o8t h SER 56 CO -0.03 0.05 0.53 0.74 -1.14 0.00 0.00 176.83 176.98 1o8t h THR 57 N 0.00 1.10 0.39 -2.27 2.02 -0.97 0.27 112.91 113.45 1o8t h THR 57 Ca -0.00 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 1o8t h THR 57 Cb 0.18 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.60 1o8t h THR 57 CO 0.01 0.18 -0.19 0.00 0.37 0.00 0.00 175.52 175.89 1o8t h ALA 58 N 1.36 -0.52 -0.60 6.16 0.00 -1.64 -1.54 119.26 122.48 1o8t h ALA 58 Ca 0.34 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1o8t h ALA 58 Cb 0.05 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1o8t h ALA 58 CO -0.13 -0.72 0.28 0.00 0.00 0.00 0.00 179.25 178.67 1o8t h ALA 59 N -0.10 0.77 -0.13 0.00 0.00 -1.62 -2.74 119.26 115.44 1o8t h ALA 59 Ca -0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1o8t h ALA 59 Cb 0.48 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1o8t h ALA 59 CO 0.09 0.35 -0.02 1.98 0.00 0.00 0.00 179.25 181.65 1o8t h MET 60 N 0.82 0.19 0.00 0.00 -1.53 -0.44 0.07 114.93 114.03 1o8t h MET 60 Ca 0.20 -0.02 -0.02 0.00 -3.44 0.00 0.00 59.70 56.42 1o8t h MET 60 Cb 0.14 -0.04 -0.00 0.00 -0.55 0.00 0.00 31.60 31.15 1o8t h MET 60 CO -0.02 0.22 -0.09 0.66 0.14 0.00 0.00 176.91 177.82 1o8t h SER 61 N 0.19 0.00 0.00 1.39 4.64 -0.95 -0.08 113.55 118.73 1o8t h SER 61 Ca 0.05 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.92 1o8t h SER 61 Cb 0.16 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.18 1o8t h SER 61 CO 0.00 0.09 -2.46 0.35 -0.87 0.00 0.00 176.83 173.94 1o8t n THR 62 N -3.33 1.53 0.28 2.95 -2.24 -0.81 -4.32 114.28 108.33 1o8t n THR 62 Ca -0.01 -0.38 0.08 0.00 -2.27 0.00 0.00 64.05 61.47 1o8t n THR 62 Cb 0.27 -1.85 0.39 0.00 -2.10 0.00 0.00 70.33 67.05 1o8t n THR 62 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1o8t n TYR 63 N -4.16 0.47 0.11 4.78 4.01 -0.05 -1.80 117.16 120.51 1o8t n TYR 63 Ca -0.52 0.21 -0.12 0.00 -0.16 0.00 0.00 57.90 57.31 1o8t n TYR 63 Cb 0.89 -0.84 -0.08 0.00 -0.31 0.00 0.00 39.34 39.00 1o8t n TYR 63 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1o8t h THR 64 N 0.00 0.77 -0.34 -0.72 2.02 -1.19 0.71 112.91 114.15 1o8t h THR 64 Ca 0.00 -0.82 -0.11 0.00 0.77 0.00 0.00 66.41 66.25 1o8t h THR 64 Cb 0.17 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1o8t h THR 64 CO 0.00 0.16 -0.24 1.23 0.37 0.00 0.00 175.52 177.04 1o8t h GLY 65 N -0.79 0.74 0.83 2.16 0.00 -1.72 -2.10 103.07 102.19 1o8t h GLY 65 Ca -0.03 -0.63 -0.04 0.00 0.00 0.00 0.00 47.33 46.62 1o8t h GLY 65 CO 0.05 0.58 -0.39 -2.22 0.00 0.00 0.00 176.54 174.56 1o8t h ILE 66 N 0.60 0.03 -0.05 2.60 1.08 -1.34 0.12 117.51 120.55 1o8t h ILE 66 Ca 0.08 -0.19 0.03 0.00 -0.39 0.00 0.00 64.86 64.39 1o8t h ILE 66 Cb 0.73 0.04 -0.06 0.00 -3.07 0.00 0.00 36.82 34.46 1o8t h ILE 66 CO 0.06 0.00 -0.45 -0.26 -0.69 0.00 0.00 178.15 176.81 1o8t h PHE 67 N -1.27 -1.31 0.00 1.37 0.04 0.42 0.09 116.94 116.28 1o8t h PHE 67 Ca -0.11 0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.70 1o8t h PHE 67 Cb 0.84 0.58 0.00 0.00 2.20 0.00 0.00 35.95 39.57 1o8t h PHE 67 CO -0.00 -0.51 0.00 1.15 -0.60 0.00 0.00 178.31 178.35 1o8t h THR 68 N -0.58 0.00 0.69 -1.55 2.02 -1.45 -3.09 112.91 108.95 1o8t h THR 68 Ca 0.05 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 1o8t h THR 68 Cb 0.67 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1o8t h THR 68 CO -0.36 0.00 -0.47 -0.78 0.37 0.00 0.00 175.52 174.28 1o8t h ASP 69 N 0.00 -1.23 0.76 4.18 1.82 0.13 0.28 116.42 122.36 1o8t h ASP 69 Ca 0.00 0.08 -0.05 0.00 -0.39 0.00 0.00 57.03 56.67 1o8t h ASP 69 Cb 0.20 0.37 -0.01 0.00 0.68 0.00 0.00 39.33 40.58 1o8t h ASP 69 CO 0.00 -0.70 -0.25 -0.61 -1.61 0.00 0.00 179.24 176.07 1o8t h GLN 70 N -1.11 0.00 0.30 0.28 -0.00 -1.55 -1.98 115.11 111.06 1o8t h GLN 70 Ca -0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.55 1o8t h GLN 70 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.39 1o8t h GLN 70 CO 0.05 0.25 -0.15 0.28 0.00 0.00 0.00 178.83 179.27 1o8t h VAL 71 N 0.00 0.67 -0.62 2.39 2.07 -1.40 -2.43 116.25 116.92 1o8t h VAL 71 Ca -0.00 -0.66 0.08 0.00 0.82 0.00 0.00 66.70 66.93 1o8t h VAL 71 Cb 0.69 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 1o8t h VAL 71 CO 0.03 0.12 0.41 0.25 0.02 0.00 0.00 177.57 178.41 1o8t h LEU 72 N -0.80 0.48 -0.92 2.57 5.85 -0.41 -0.77 115.31 121.31 1o8t h LEU 72 Ca -0.04 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.73 1o8t h LEU 72 Cb 0.51 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.39 1o8t h LEU 72 CO 0.07 0.30 0.59 -1.28 -0.34 0.00 0.00 178.44 177.78 1o8t h SER 73 N 0.54 0.96 0.97 1.25 0.87 -1.14 0.30 113.55 117.30 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 0.39 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1o8t h SER 73 CO -0.08 0.63 0.00 -0.37 -0.53 0.00 0.00 176.83 176.48 1o8t h VAL 74 N 1.10 0.00 -0.52 2.23 -1.51 -0.65 -2.88 116.25 114.03 1o8t h VAL 74 Ca 0.38 -0.40 -0.06 0.00 -1.23 0.00 0.00 66.70 65.40 1o8t h VAL 74 Cb 0.09 1.26 -0.02 0.00 -2.13 0.00 0.00 31.29 30.50 1o8t h VAL 74 CO -0.15 0.00 0.07 0.25 -1.23 0.00 0.00 177.57 176.51 1o8t h LEU 75 N 0.00 0.78 -0.11 4.19 5.85 -0.71 -0.64 115.31 124.68 1o8t h LEU 75 Ca 0.00 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.49 1o8t h LEU 75 Cb 0.48 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1o8t h LEU 75 CO 0.00 0.80 -0.20 0.11 -0.34 0.00 0.00 178.44 178.81 1o8t h LYS 76 N 0.78 0.33 -0.32 1.25 6.56 -1.49 0.31 116.57 123.99 1o8t h LYS 76 Ca 0.16 -0.21 -0.02 0.00 -1.06 0.00 0.00 60.65 59.53 1o8t h LYS 76 Cb 0.37 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 32.04 1o8t h LYS 76 CO 0.01 0.80 0.13 0.78 -2.06 0.00 0.00 179.45 179.10 1o8t h GLY 77 N -0.11 0.50 0.45 3.86 0.00 -1.55 -3.28 103.07 102.95 1o8t h GLY 77 Ca 0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 1o8t h GLY 77 CO 0.04 0.26 -0.17 -2.09 0.00 0.00 0.00 176.54 174.58 1o8t h GLU 78 N 0.37 -0.47 -0.03 4.80 4.22 -1.19 -3.52 114.58 118.76 1o8t h GLU 78 Ca 0.11 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.58 1o8t h GLU 78 Cb 0.17 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1o8t h GLU 78 CO -0.01 -0.20 0.00 -1.91 -2.18 0.00 0.00 179.01 174.71