#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 3.27 -0.55 -0.78 -0.44 -1.26 -4.15 119.66 115.76 1o8t s GLN 2 Ca 0.00 -0.49 -0.03 0.00 -2.50 0.00 0.00 55.36 52.35 1o8t s GLN 2 Cb 0.00 -4.61 0.00 0.00 -1.64 0.00 0.00 33.01 26.76 1o8t s GLN 2 CO 0.00 -2.24 0.55 0.94 0.50 0.00 0.00 175.29 175.04 1o8t n GLN 3 N 9.19 -1.23 0.00 1.67 0.00 -1.26 -4.79 117.38 120.96 1o8t n GLN 3 Ca 0.15 1.41 0.11 0.00 -0.00 0.00 0.00 57.00 58.67 1o8t n GLN 3 Cb 0.50 -4.93 0.67 0.00 0.00 0.00 0.00 30.24 26.48 1o8t n GLN 3 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1o8t n PRO 4 N -1.37 0.68 0.04 3.69 -0.04 -1.26 -3.34 135.00 133.41 1o8t n PRO 4 Ca 0.02 0.01 -0.09 0.00 -0.04 0.00 0.00 63.50 63.40 1o8t n PRO 4 Cb 0.47 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.48 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 0.00 0.42 -7.31 0.54 7.50 -1.91 -3.25 115.11 111.10 1o8t h GLN 5 Ca 0.00 -0.31 -0.45 0.00 0.50 0.00 0.00 58.65 58.39 1o8t h GLN 5 Cb 0.02 0.05 0.17 0.00 0.05 0.00 0.00 27.48 27.78 1o8t h GLN 5 CO 0.00 0.93 0.16 1.14 -1.50 0.00 0.00 178.83 179.56 1o8t s GLN 6 N -3.74 0.18 0.43 1.46 -2.07 -1.21 -4.94 119.66 109.77 1o8t s GLN 6 Ca -0.06 0.62 0.23 0.00 -1.82 0.00 0.00 55.36 54.33 1o8t s GLN 6 Cb 0.11 -1.70 0.89 0.00 -1.09 0.00 0.00 33.01 31.22 1o8t s GLN 6 CO 0.83 -2.92 1.82 -0.44 -1.32 0.00 0.00 175.29 173.26 1o8t h ASP 7 N -2.04 0.00 0.00 12.60 5.19 -1.88 -3.35 116.42 126.94 1o8t h ASP 7 Ca -0.56 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.85 1o8t h ASP 7 Cb 1.33 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.84 1o8t h ASP 7 CO 0.56 0.26 0.00 1.21 -3.12 0.00 0.00 179.24 178.14 1o8t n GLU 8 N -3.45 0.00 -2.12 3.56 2.13 -1.26 -4.71 120.64 114.78 1o8t n GLU 8 Ca -0.00 0.33 -0.42 0.00 0.66 0.00 0.00 57.16 57.73 1o8t n GLU 8 Cb 0.44 -1.08 -0.03 0.00 0.27 0.00 0.00 31.44 31.04 1o8t n GLU 8 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 1o8t s MET 9 N -1.49 4.21 0.19 5.31 -1.94 -1.26 -4.98 119.30 119.35 1o8t s MET 9 Ca 0.00 2.06 -0.30 0.00 -1.71 0.00 0.00 55.69 55.74 1o8t s MET 9 Cb 0.00 -3.82 -0.08 0.00 2.01 0.00 0.00 34.83 32.94 1o8t s MET 9 CO 0.00 -0.75 1.10 -1.25 -0.01 0.00 0.00 175.02 174.11 1o8t s PRO 10 N 3.44 4.61 -0.20 2.03 0.04 -1.26 -4.33 135.00 139.33 1o8t s PRO 10 Ca 0.68 1.72 -0.29 0.00 0.04 0.00 0.00 61.00 63.15 1o8t s PRO 10 Cb -0.31 -3.27 -0.02 0.00 0.04 0.00 0.00 34.50 30.94 1o8t s PRO 10 CO 0.26 0.10 1.41 0.45 0.04 0.00 0.00 177.00 179.27 1o8t s SER 11 N -0.24 6.70 0.24 6.66 0.15 -1.23 -4.77 113.70 121.22 1o8t s SER 11 Ca 0.48 1.62 -0.03 0.00 0.70 0.00 0.00 55.95 58.72 1o8t s SER 11 Cb -0.30 -2.54 0.29 0.00 -1.71 0.00 0.00 66.02 61.76 1o8t s SER 11 CO 0.36 -0.99 1.72 1.55 1.20 0.00 0.00 173.24 177.08 1o8t h PRO 12 N 9.28 0.80 -6.92 5.44 0.13 -1.94 -3.40 132.00 135.39 1o8t h PRO 12 Ca -0.30 -0.24 -0.50 0.00 -0.87 0.00 0.00 66.00 64.09 1o8t h PRO 12 Cb 1.12 -0.08 0.04 0.00 0.13 0.00 0.00 31.00 32.21 1o8t h PRO 12 CO 0.99 0.84 0.48 0.99 -0.23 0.00 0.00 178.00 181.08 1o8t s THR 13 N -4.90 3.31 0.00 1.56 2.01 -1.26 -3.06 115.64 113.30 1o8t s THR 13 Ca -0.10 1.11 0.00 0.00 0.31 0.00 0.00 61.69 63.02 1o8t s THR 13 Cb 0.14 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 69.02 1o8t s THR 13 CO 0.82 0.11 0.00 0.33 -0.69 0.00 0.00 174.62 175.19 1o8t n PHE 14 N 0.23 0.00 0.19 4.92 7.35 -1.26 -4.87 117.46 124.01 1o8t n PHE 14 Ca 0.04 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.58 1o8t n PHE 14 Cb 0.47 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 40.22 1o8t n PHE 14 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 1o8t h LEU 15 N 0.00 -0.38 -1.46 -2.13 5.85 -1.76 -2.27 115.31 113.17 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 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1o8t h LEU 15 CO 0.00 -0.17 0.43 0.74 -0.34 0.00 0.00 178.44 179.10 1o8t h THR 16 N -0.57 1.02 -0.66 1.05 2.02 -1.90 -2.15 112.91 111.72 1o8t h THR 16 Ca -0.05 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 66.89 1o8t h THR 16 Cb 0.42 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 1o8t h THR 16 CO 0.07 0.12 0.34 -0.61 0.37 0.00 0.00 175.52 175.81 1o8t h GLN 17 N 0.67 0.93 -0.50 6.66 4.15 -1.89 -3.21 115.11 121.92 1o8t h GLN 17 Ca 0.28 -0.13 0.14 0.00 0.77 0.00 0.00 58.65 59.71 1o8t h GLN 17 Cb 0.24 -0.17 -0.09 0.00 0.21 0.00 0.00 27.48 27.66 1o8t h GLN 17 CO -0.08 0.73 0.01 0.28 -1.93 0.00 0.00 178.83 177.83 1o8t n VAL 18 N -4.50 -0.21 -0.15 2.39 0.31 -0.81 0.53 118.33 115.89 1o8t n VAL 18 Ca 0.05 1.11 -0.03 0.00 -0.01 0.00 0.00 64.34 65.46 1o8t n VAL 18 Cb 0.11 -1.62 0.05 0.00 -0.91 0.00 0.00 33.84 31.47 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 0.09 0.00 5.55 1.57 -1.74 0.29 116.57 122.33 1o8t h LYS 19 Ca 0.31 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 59.04 1o8t h LYS 19 Cb 0.63 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1o8t h LYS 19 CO -0.47 0.06 -0.20 0.93 -0.57 0.00 0.00 179.45 179.19 1o8t h GLU 20 N 0.09 0.00 -0.12 3.15 3.07 -0.15 -2.21 114.58 118.42 1o8t h GLU 20 Ca 0.24 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.07 1o8t h GLU 20 Cb 0.37 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 1o8t h GLU 20 CO -0.42 0.20 -0.07 1.03 -1.40 0.00 0.00 179.01 178.35 1o8t h SER 21 N 0.00 0.15 -0.07 1.42 0.87 -0.78 -2.39 113.55 112.76 1o8t h SER 21 Ca -0.00 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.50 1o8t h SER 21 Cb 0.36 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1o8t h SER 21 CO 0.03 0.25 -0.11 -0.07 -0.53 0.00 0.00 176.83 176.39 1o8t h LEU 22 N 0.17 0.22 -0.00 2.23 4.07 -1.07 -2.16 115.31 118.76 1o8t h LEU 22 Ca 0.04 -0.54 0.01 0.00 0.08 0.00 0.00 57.88 57.46 1o8t h LEU 22 Cb 0.23 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 41.90 1o8t h LEU 22 CO 0.01 0.72 -0.04 0.77 -1.08 0.00 0.00 178.44 178.82 1o8t h SER 23 N -0.28 -0.10 0.40 -0.43 4.64 -1.52 -1.09 113.55 115.17 1o8t h SER 23 Ca 0.01 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1o8t h SER 23 Cb 0.68 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1o8t h SER 23 CO 0.03 -0.05 0.00 0.28 -0.87 0.00 0.00 176.83 176.21 1o8t h SER 24 N -0.06 0.00 0.27 4.97 0.02 -1.51 -2.29 113.55 114.95 1o8t h SER 24 Ca 0.02 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.65 1o8t h SER 24 Cb 0.08 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.66 1o8t h SER 24 CO -0.04 0.00 -1.39 0.22 -1.14 0.00 0.00 176.83 174.48 1o8t h TYR 25 N 0.00 0.94 -0.70 3.45 3.20 -0.56 -3.31 116.97 119.99 1o8t h TYR 25 Ca 0.00 -0.66 -0.06 0.00 3.14 0.00 0.00 58.73 61.15 1o8t h TYR 25 Cb 0.20 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 1o8t h TYR 25 CO 0.00 1.51 0.22 2.35 -1.64 0.00 0.00 178.16 180.59 1o8t h TRP 26 N 0.18 1.12 -0.90 -3.82 7.01 -0.67 0.58 115.95 119.44 1o8t h TRP 26 Ca -0.22 -0.11 0.09 0.00 2.11 0.00 0.00 58.89 60.76 1o8t h TRP 26 Cb 2.08 -0.32 -0.12 0.00 -2.10 0.00 0.00 29.16 28.69 1o8t h TRP 26 CO 0.12 0.89 -0.55 0.93 -2.79 0.00 0.00 178.44 177.04 1o8t h GLU 27 N 1.04 -0.06 0.00 2.65 3.07 -1.59 0.21 114.58 119.90 1o8t h GLU 27 Ca 0.23 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.09 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 -0.01 -0.04 -0.45 0.77 -1.40 0.00 0.00 179.01 177.88 1o8t h SER 28 N -0.06 0.00 -0.46 1.42 0.02 -1.70 -3.33 113.55 109.44 1o8t h SER 28 Ca 0.18 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1o8t h SER 28 Cb 0.47 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 1o8t h SER 28 CO -0.89 0.05 0.28 0.00 -1.14 0.00 0.00 176.83 175.13 1o8t h ALA 29 N 2.37 1.60 -0.10 3.77 0.00 0.18 -2.94 119.26 124.14 1o8t h ALA 29 Ca 0.00 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1o8t h ALA 29 Cb 0.81 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 1o8t h ALA 29 CO 0.00 0.35 -0.24 -0.22 0.00 0.00 0.00 179.25 179.14 1o8t h LYS 30 N 0.65 -0.31 -1.03 0.00 3.11 -1.45 -0.24 116.57 117.32 1o8t h LYS 30 Ca 0.17 0.02 0.26 0.00 -2.81 0.00 0.00 60.65 58.29 1o8t h LYS 30 Cb -0.01 0.07 -0.11 0.00 -1.00 0.00 0.00 32.23 31.17 1o8t h LYS 30 CO -0.03 -0.20 0.63 1.15 -2.81 0.00 0.00 179.45 178.18 1o8t h THR 31 N -0.32 0.52 -0.65 1.00 2.02 -1.76 0.43 112.91 114.15 1o8t h THR 31 Ca 0.09 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 1o8t h THR 31 Cb 0.45 -0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 1o8t h THR 31 CO -0.28 0.09 0.31 0.00 0.37 0.00 0.00 175.52 176.01 1o8t h ALA 32 N 1.69 0.83 -0.22 6.16 0.00 -1.09 -0.83 119.26 125.79 1o8t h ALA 32 Ca 0.63 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.45 1o8t h ALA 32 Cb 1.37 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 1o8t h ALA 32 CO -0.41 0.40 -0.42 0.00 0.00 0.00 0.00 179.25 178.82 1o8t h ALA 33 N 1.14 -0.54 -0.44 0.00 0.00 0.61 0.52 119.26 120.55 1o8t h ALA 33 Ca 0.22 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1o8t h ALA 33 Cb 0.12 0.82 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1o8t h ALA 33 CO -0.03 -0.91 0.02 0.37 0.00 0.00 0.00 179.25 178.71 1o8t h GLN 34 N -0.44 0.70 0.00 0.00 -0.00 -1.43 -1.89 115.11 112.05 1o8t h GLN 34 Ca 0.10 -0.17 -0.02 0.00 -0.00 0.00 0.00 58.65 58.56 1o8t h GLN 34 Cb 0.61 -0.09 -0.00 0.00 0.00 0.00 0.00 27.48 28.00 1o8t h GLN 34 CO -0.46 0.70 -0.08 -0.97 0.00 0.00 0.00 178.83 178.02 1o8t h ASN 35 N 0.66 0.00 -0.44 -0.69 -0.73 0.45 -1.36 115.58 113.47 1o8t h ASN 35 Ca 0.14 0.00 0.05 0.00 1.87 0.00 0.00 56.30 58.36 1o8t h ASN 35 Cb 0.38 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 38.92 1o8t h ASN 35 CO 0.01 0.08 0.16 0.25 -0.37 0.00 0.00 177.43 177.57 1o8t h LEU 36 N 0.00 0.18 -0.79 0.34 6.46 0.82 0.30 115.31 122.62 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 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.07 1o8t h LEU 36 CO 0.01 0.14 0.30 1.88 -0.62 0.00 0.00 178.44 180.14 1o8t h TYR 37 N 0.33 1.21 0.45 1.25 0.05 -1.31 -2.86 116.97 116.10 1o8t h TYR 37 Ca 0.20 -0.10 -0.01 0.00 0.05 0.00 0.00 58.73 58.87 1o8t h TYR 37 Cb 0.19 -0.36 -0.01 0.00 1.01 0.00 0.00 36.73 37.55 1o8t h TYR 37 CO -0.15 0.93 -0.34 0.93 -1.05 0.00 0.00 178.16 178.48 1o8t h GLU 38 N 1.15 -0.75 0.00 4.88 5.08 -0.09 -2.11 114.58 122.74 1o8t h GLU 38 Ca 0.26 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1o8t h GLU 38 Cb 0.24 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1o8t h GLU 38 CO -0.02 -0.50 0.00 1.17 -1.00 0.00 0.00 179.01 178.67 1o8t n LYS 39 N -5.46 0.07 0.10 2.33 4.81 0.86 -2.48 118.16 118.38 1o8t n LYS 39 Ca -0.11 0.54 -0.13 0.00 -0.87 0.00 0.00 58.31 57.74 1o8t n LYS 39 Cb 0.36 -1.71 -0.08 0.00 0.02 0.00 0.00 35.03 33.62 1o8t n LYS 39 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1o8t h THR 40 N 0.00 0.89 -0.55 3.15 2.02 -1.14 -3.24 112.91 114.02 1o8t h THR 40 Ca 0.00 -0.79 -0.09 0.00 0.77 0.00 0.00 66.41 66.30 1o8t h THR 40 Cb 0.04 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 1o8t h THR 40 CO 0.00 0.17 -0.00 1.88 0.37 0.00 0.00 175.52 177.94 1o8t h TYR 41 N -0.68 1.03 -3.93 3.16 0.05 -1.54 -3.44 116.97 111.62 1o8t h TYR 41 Ca -0.03 -0.17 -0.49 0.00 0.05 0.00 0.00 58.73 58.09 1o8t h TYR 41 Cb 0.48 -0.27 0.03 0.00 1.01 0.00 0.00 36.73 37.98 1o8t h TYR 41 CO 0.05 0.93 0.45 -0.51 -1.05 0.00 0.00 178.16 178.02 1o8t s LEU 42 N -9.25 4.22 -0.16 3.88 1.02 -1.14 -4.96 118.68 112.29 1o8t s LEU 42 Ca -0.11 2.17 0.07 0.00 0.02 0.00 0.00 54.13 56.28 1o8t s LEU 42 Cb 0.14 -4.05 0.45 0.00 0.02 0.00 0.00 46.19 42.75 1o8t s LEU 42 CO 0.84 -0.51 1.28 -0.81 0.02 0.00 0.00 176.35 177.17 1o8t n PRO 43 N 0.16 2.90 0.20 1.29 -0.04 -1.26 -4.39 135.00 133.86 1o8t n PRO 43 Ca 0.04 -1.78 0.14 0.00 -0.04 0.00 0.00 63.50 61.86 1o8t n PRO 43 Cb 0.48 -1.88 0.66 0.00 -0.04 0.00 0.00 33.50 32.72 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 2.78 1.00 -0.97 0.55 0.00 -1.93 -3.31 119.26 117.38 1o8t h ALA 44 Ca 0.08 0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.13 1o8t h ALA 44 Cb 1.50 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 19.14 1o8t h ALA 44 CO 0.36 0.00 -0.40 -0.39 0.00 0.00 0.00 179.25 178.81 1o8t h VAL 45 N 0.00 0.01 0.00 0.00 -1.51 -1.86 0.46 116.25 113.34 1o8t h VAL 45 Ca 0.00 0.00 -0.18 0.00 -1.23 0.00 0.00 66.70 65.29 1o8t h VAL 45 Cb 0.24 0.01 -0.03 0.00 -2.13 0.00 0.00 31.29 29.38 1o8t h VAL 45 CO 0.00 0.00 -0.84 -0.78 -1.23 0.00 0.00 177.57 174.72 1o8t h ASP 46 N -0.01 0.00 0.27 4.19 3.58 -1.97 -3.19 116.42 119.29 1o8t h ASP 46 Ca 0.32 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.76 1o8t h ASP 46 Cb 0.58 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.63 1o8t h ASP 46 CO -0.97 0.84 -0.13 -0.08 -2.88 0.00 0.00 179.24 176.02 1o8t h GLU 47 N 0.00 -0.35 -0.00 0.28 4.22 -1.03 -2.99 114.58 114.70 1o8t h GLU 47 Ca -0.01 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.46 1o8t h GLU 47 Cb 1.63 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.96 1o8t h GLU 47 CO 0.11 -0.02 0.01 0.87 -2.18 0.00 0.00 179.01 177.79 1o8t h LYS 48 N -0.74 0.00 0.54 1.92 1.79 -0.36 0.15 116.57 119.87 1o8t h LYS 48 Ca -0.04 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.41 1o8t h LYS 48 Cb 0.50 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.15 1o8t h LYS 48 CO 0.06 0.00 -0.26 1.25 -1.08 0.00 0.00 179.45 179.42 1o8t h LEU 49 N 0.00 -0.62 -1.37 2.94 5.85 -1.51 0.23 115.31 120.83 1o8t h LEU 49 Ca 0.00 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1o8t h LEU 49 Cb 0.01 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1o8t h LEU 49 CO -0.00 -0.39 0.04 -0.09 -0.34 0.00 0.00 178.44 177.66 1o8t h ARG 50 N -0.84 0.46 0.12 1.25 2.43 -1.38 -0.29 114.38 116.13 1o8t h ARG 50 Ca -0.07 -0.08 0.02 0.00 -0.81 0.00 0.00 59.98 59.03 1o8t h ARG 50 Cb 0.56 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 1o8t h ARG 50 CO 0.12 0.46 -0.22 0.22 -1.51 0.00 0.00 179.97 179.04 1o8t h ASP 51 N 0.45 -0.62 1.34 -3.80 3.58 -0.62 -2.00 116.42 114.74 1o8t h ASP 51 Ca 0.10 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.62 1o8t h ASP 51 Cb 0.24 0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.52 1o8t h ASP 51 CO 0.00 -0.31 0.00 0.25 -2.88 0.00 0.00 179.24 176.30 1o8t h LEU 52 N -0.42 0.00 -0.05 2.28 5.85 -0.72 -3.28 115.31 118.97 1o8t h LEU 52 Ca 0.03 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1o8t h LEU 52 Cb 0.44 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 1o8t h LEU 52 CO -0.12 0.00 -0.01 0.22 -0.34 0.00 0.00 178.44 178.18 1o8t h TYR 53 N 0.00 0.12 -0.18 1.25 5.03 -0.32 0.74 116.97 123.60 1o8t h TYR 53 Ca 0.00 -0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.28 1o8t h TYR 53 Cb 0.67 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.91 1o8t h TYR 53 CO 0.00 0.44 0.11 0.66 -1.32 0.00 0.00 178.16 178.05 1o8t h SER 54 N -0.24 0.22 -0.40 -2.11 4.64 -1.52 0.07 113.55 114.21 1o8t h SER 54 Ca 0.01 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.27 1o8t h SER 54 Cb 0.40 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.42 1o8t h SER 54 CO 0.01 0.21 0.21 0.11 -0.87 0.00 0.00 176.83 176.50 1o8t h LYS 55 N 0.21 0.56 -0.18 4.77 1.57 -1.61 -2.67 116.57 119.23 1o8t h LYS 55 Ca 0.07 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1o8t h LYS 55 Cb 0.03 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1o8t h LYS 55 CO -0.01 0.47 0.08 0.77 -0.57 0.00 0.00 179.45 180.18 1o8t h SER 56 N 0.51 0.24 -0.55 0.86 0.02 -0.67 -1.58 113.55 112.39 1o8t h SER 56 Ca 0.14 -0.14 0.05 0.00 -0.84 0.00 0.00 61.79 61.00 1o8t h SER 56 Cb 0.07 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 1o8t h SER 56 CO -0.02 0.32 0.36 0.71 -1.14 0.00 0.00 176.83 177.06 1o8t h THR 57 N 0.14 1.02 0.22 -2.27 1.35 -0.92 0.44 112.91 112.89 1o8t h THR 57 Ca 0.06 -0.19 -0.01 0.00 -0.55 0.00 0.00 66.41 65.72 1o8t h THR 57 Cb 0.15 0.42 0.00 0.00 -1.73 0.00 0.00 68.15 66.98 1o8t h THR 57 CO -0.01 0.10 -0.10 0.00 -0.25 0.00 0.00 175.52 175.26 1o8t h ALA 58 N 1.70 -0.29 0.34 6.62 0.00 -1.28 -2.84 119.26 123.52 1o8t h ALA 58 Ca 0.23 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1o8t h ALA 58 Cb 0.21 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1o8t h ALA 58 CO -0.06 -0.31 -0.16 0.00 0.00 0.00 0.00 179.25 178.71 1o8t h ALA 59 N -0.72 -0.46 0.00 0.00 0.00 -1.18 -2.76 119.26 114.15 1o8t h ALA 59 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1o8t h ALA 59 Cb 0.42 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1o8t h ALA 59 CO 0.05 -0.69 0.00 -0.12 0.00 0.00 0.00 179.25 178.49 1o8t n MET 60 N -5.23 0.08 0.27 0.00 0.00 0.15 -2.15 117.12 110.24 1o8t n MET 60 Ca -0.10 0.53 0.18 0.00 0.00 0.00 0.00 57.70 58.31 1o8t n MET 60 Cb 0.24 -1.74 0.80 0.00 0.00 0.00 0.00 33.22 32.51 1o8t n MET 60 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 1o8t h SER 61 N 0.00 0.00 0.00 6.12 0.02 -1.22 -0.11 113.55 118.35 1o8t h SER 61 Ca 0.00 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.57 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 -2.27 0.35 -1.14 0.00 0.00 176.83 173.77 1o8t n THR 62 N -2.94 1.24 0.29 -2.27 -2.24 -0.92 -4.46 114.28 102.98 1o8t n THR 62 Ca -0.00 -0.33 0.12 0.00 -2.27 0.00 0.00 64.05 61.57 1o8t n THR 62 Cb 0.22 -1.78 0.57 0.00 -2.10 0.00 0.00 70.33 67.24 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 -0.77 0.00 0.51 4.78 3.20 -1.58 -1.86 116.97 121.24 1o8t h TYR 63 Ca -0.57 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.27 1o8t h TYR 63 Cb 1.52 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.79 1o8t h TYR 63 CO -0.07 0.00 -0.24 1.15 -1.64 0.00 0.00 178.16 177.36 1o8t h THR 64 N 0.00 0.00 -0.65 1.81 2.02 -1.23 0.64 112.91 115.51 1o8t h THR 64 Ca 0.00 -0.44 -0.03 0.00 0.77 0.00 0.00 66.41 66.71 1o8t h THR 64 Cb 0.20 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.58 1o8t h THR 64 CO 0.00 0.00 0.27 1.23 0.37 0.00 0.00 175.52 177.39 1o8t h GLY 65 N -1.12 1.01 0.81 2.16 0.00 -1.77 -0.92 103.07 103.24 1o8t h GLY 65 Ca -0.07 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 46.71 1o8t h GLY 65 CO 0.11 0.48 -0.39 -2.22 0.00 0.00 0.00 176.54 174.53 1o8t h ILE 66 N 0.93 0.00 -0.24 2.60 2.04 -1.37 0.08 117.51 121.55 1o8t h ILE 66 Ca 0.22 -0.18 0.06 0.00 1.00 0.00 0.00 64.86 65.97 1o8t h ILE 66 Cb 0.16 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.16 1o8t h ILE 66 CO -0.02 0.00 -0.29 0.15 0.00 0.00 0.00 178.15 177.98 1o8t h PHE 67 N -1.26 -0.81 0.00 1.37 3.57 0.38 0.66 116.94 120.85 1o8t h PHE 67 Ca -0.11 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.43 1o8t h PHE 67 Cb 0.83 0.39 0.00 0.00 2.79 0.00 0.00 35.95 39.96 1o8t h PHE 67 CO 0.01 -0.37 0.00 1.79 -2.23 0.00 0.00 178.31 177.51 1o8t h THR 68 N -0.31 0.00 0.62 4.41 1.35 -1.21 -2.85 112.91 114.92 1o8t h THR 68 Ca 0.13 -0.23 -0.02 0.00 -0.55 0.00 0.00 66.41 65.74 1o8t h THR 68 Cb 0.51 1.22 -0.01 0.00 -1.73 0.00 0.00 68.15 68.15 1o8t h THR 68 CO -0.41 0.00 -0.44 -0.78 -0.25 0.00 0.00 175.52 173.64 1o8t h ASP 69 N 0.00 -1.13 0.80 5.36 1.82 0.12 0.24 116.42 123.62 1o8t h ASP 69 Ca 0.00 0.07 -0.04 0.00 -0.39 0.00 0.00 57.03 56.67 1o8t h ASP 69 Cb 0.23 0.35 -0.01 0.00 0.68 0.00 0.00 39.33 40.58 1o8t h ASP 69 CO 0.00 -0.65 -0.20 1.56 -1.61 0.00 0.00 179.24 178.34 1o8t h GLN 70 N -1.01 0.00 0.32 0.28 4.20 -1.51 -2.22 115.11 115.16 1o8t h GLN 70 Ca -0.08 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 1o8t h GLN 70 Cb 0.84 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.62 1o8t h GLN 70 CO 0.04 0.20 -0.15 0.28 -0.67 0.00 0.00 178.83 178.53 1o8t h VAL 71 N 0.00 0.64 -0.54 -0.54 2.07 -1.21 -2.78 116.25 113.88 1o8t h VAL 71 Ca -0.00 -0.65 0.08 0.00 0.82 0.00 0.00 66.70 66.95 1o8t h VAL 71 Cb 0.66 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1o8t h VAL 71 CO 0.03 0.12 0.37 -0.07 0.02 0.00 0.00 177.57 178.03 1o8t h LEU 72 N -0.82 0.35 -1.58 2.57 -0.00 -0.50 0.19 115.31 115.53 1o8t h LEU 72 Ca -0.04 0.00 0.06 0.00 -0.00 0.00 0.00 57.88 57.90 1o8t h LEU 72 Cb 0.52 -0.07 -0.03 0.00 -0.00 0.00 0.00 40.66 41.08 1o8t h LEU 72 CO 0.07 0.22 0.37 -1.28 -0.00 0.00 0.00 178.44 177.82 1o8t h SER 73 N 0.40 0.46 1.09 -0.43 0.87 -1.17 0.11 113.55 114.87 1o8t h SER 73 Ca 0.25 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1o8t h SER 73 Cb 0.45 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1o8t h SER 73 CO -0.06 0.30 0.00 -0.37 -0.53 0.00 0.00 176.83 176.17 1o8t h VAL 74 N 0.52 0.00 -0.18 2.23 -1.51 -0.69 -2.75 116.25 113.87 1o8t h VAL 74 Ca 0.24 -0.52 -0.02 0.00 -1.23 0.00 0.00 66.70 65.17 1o8t h VAL 74 Cb 0.27 1.48 -0.01 0.00 -2.13 0.00 0.00 31.29 30.90 1o8t h VAL 74 CO -0.07 0.00 0.05 0.25 -1.23 0.00 0.00 177.57 176.57 1o8t h LEU 75 N 0.00 0.27 -0.73 4.19 5.85 -0.76 -0.85 115.31 123.28 1o8t h LEU 75 Ca 0.00 -0.23 -0.14 0.00 0.84 0.00 0.00 57.88 58.36 1o8t h LEU 75 Cb 0.54 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1o8t h LEU 75 CO 0.00 0.43 -0.56 0.11 -0.34 0.00 0.00 178.44 178.08 1o8t h LYS 76 N 0.11 0.22 0.00 1.25 1.57 -1.54 -3.33 116.57 114.85 1o8t h LYS 76 Ca 0.06 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1o8t h LYS 76 Cb 0.26 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1o8t h LYS 76 CO 0.00 0.72 0.00 0.41 -0.57 0.00 0.00 179.45 180.01 1o8t n GLY 77 N 0.16 -1.66 2.69 3.86 0.00 -1.05 -4.87 105.19 104.33 1o8t n GLY 77 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.44 1.30 0.00 1.61 4.07 -0.96 -5.10 120.64 121.11 1o8t n GLU 78 Ca 0.00 -1.64 0.00 0.00 -0.06 0.00 0.00 57.16 55.46 1o8t n GLU 78 Cb 0.00 0.08 0.00 0.00 -0.06 0.00 0.00 31.44 31.46 1o8t n GLU 78 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22