#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 -2.68 -2.70 -0.78 -0.06 -1.26 -4.88 117.38 105.03 1o8t n GLN 2 Ca 0.00 2.27 -0.06 0.00 -2.00 0.00 0.00 57.00 57.21 1o8t n GLN 2 Cb 0.00 -5.04 0.09 0.00 -4.06 0.00 0.00 30.24 21.23 1o8t n GLN 2 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 1o8t n GLN 3 N 0.20 0.46 -0.19 3.69 7.27 -1.26 -5.03 117.38 122.52 1o8t n GLN 3 Ca 0.05 -1.18 -0.09 0.00 0.07 0.00 0.00 57.00 55.84 1o8t n GLN 3 Cb 0.30 -0.63 0.01 0.00 2.41 0.00 0.00 30.24 32.33 1o8t n GLN 3 CO 0.00 0.00 0.00 -1.35 0.07 0.00 0.00 177.06 175.78 1o8t h PRO 4 N 2.98 0.94 0.00 3.69 0.11 -1.95 -3.36 132.00 134.41 1o8t h PRO 4 Ca -0.21 -0.28 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1o8t h PRO 4 Cb 1.15 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1o8t h PRO 4 CO 0.04 0.94 0.00 1.04 -0.21 0.00 0.00 178.00 179.81 1o8t n GLN 5 N -4.30 0.00 -0.92 1.05 3.00 -1.26 -4.90 117.38 110.04 1o8t n GLN 5 Ca 0.02 0.30 -0.30 0.00 -0.01 0.00 0.00 57.00 57.00 1o8t n GLN 5 Cb 0.30 -0.98 0.25 0.00 0.00 0.00 0.00 30.24 29.81 1o8t n GLN 5 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 1o8t s GLN 6 N -1.19 -1.57 0.19 -1.09 0.74 -1.26 -4.96 119.66 110.53 1o8t s GLN 6 Ca 0.00 -0.00 -0.30 0.00 0.05 0.00 0.00 55.36 55.11 1o8t s GLN 6 Cb 0.00 -1.55 -0.08 0.00 1.10 0.00 0.00 33.01 32.48 1o8t s GLN 6 CO 0.00 -3.95 1.25 0.34 -0.55 0.00 0.00 175.29 172.38 1o8t s ASP 7 N -3.71 6.99 1.16 6.67 2.15 -1.26 -4.83 116.67 123.84 1o8t s ASP 7 Ca 0.70 2.32 -0.18 0.00 0.43 0.00 0.00 52.55 55.83 1o8t s ASP 7 Cb -0.11 -2.61 0.27 0.00 -0.30 0.00 0.00 42.92 40.17 1o8t s ASP 7 CO 0.57 -0.45 1.12 -1.83 -0.17 0.00 0.00 175.17 174.40 1o8t s GLU 8 N -0.21 -0.90 -0.12 4.34 1.03 -1.26 -4.93 118.70 116.65 1o8t s GLU 8 Ca 0.55 0.00 -0.29 0.00 0.03 0.00 0.00 54.97 55.25 1o8t s GLU 8 Cb -0.35 -1.63 -0.04 0.00 -0.80 0.00 0.00 34.13 31.32 1o8t s GLU 8 CO 0.38 -3.51 1.58 -1.64 -1.33 0.00 0.00 175.26 170.73 1o8t s MET 9 N -5.36 4.08 -1.16 -4.83 -1.94 -1.26 -4.88 119.30 103.95 1o8t s MET 9 Ca 0.70 1.96 -0.08 0.00 -1.71 0.00 0.00 55.69 56.55 1o8t s MET 9 Cb -0.11 -3.96 -0.12 0.00 2.01 0.00 0.00 34.83 32.66 1o8t s MET 9 CO 0.56 -0.94 3.09 -0.35 -0.01 0.00 0.00 175.02 177.36 1o8t n PRO 10 N 7.18 3.31 -2.42 2.03 -0.04 -1.26 -4.74 135.00 139.06 1o8t n PRO 10 Ca 0.17 -2.00 -0.37 0.00 -0.04 0.00 0.00 63.50 61.26 1o8t n PRO 10 Cb 0.44 -2.57 -0.03 0.00 -0.04 0.00 0.00 33.50 31.30 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 1.94 6.57 -0.83 3.54 1.04 -1.26 -4.92 113.70 119.78 1o8t s SER 11 Ca 0.68 2.17 -0.25 0.00 0.48 0.00 0.00 55.95 59.02 1o8t s SER 11 Cb 0.22 -2.60 -0.07 0.00 0.10 0.00 0.00 66.02 63.68 1o8t s SER 11 CO -0.05 -0.63 2.08 -2.84 0.98 0.00 0.00 173.24 172.78 1o8t s PRO 12 N -2.50 2.29 0.21 4.02 0.02 -1.26 -4.94 135.00 132.83 1o8t s PRO 12 Ca 0.59 0.07 -0.30 0.00 0.02 0.00 0.00 61.00 61.38 1o8t s PRO 12 Cb -0.25 -4.91 -0.08 0.00 0.02 0.00 0.00 34.50 29.27 1o8t s PRO 12 CO 0.32 -3.61 1.21 0.95 -0.33 0.00 0.00 177.00 175.54 1o8t s THR 13 N 11.35 3.44 0.26 0.99 -4.23 -1.26 -4.88 115.64 121.31 1o8t s THR 13 Ca 0.77 1.24 0.00 0.00 -1.18 0.00 0.00 61.69 62.52 1o8t s THR 13 Cb -0.09 -3.79 0.00 0.00 1.34 0.00 0.00 72.50 69.95 1o8t s THR 13 CO 0.05 0.21 0.00 0.33 -0.54 0.00 0.00 174.62 174.67 1o8t n PHE 14 N 2.27 -2.47 0.25 3.99 7.35 -1.26 -4.88 117.46 122.70 1o8t n PHE 14 Ca 0.04 0.53 0.09 0.00 -0.76 0.00 0.00 57.45 57.35 1o8t n PHE 14 Cb 0.44 1.03 0.66 0.00 0.35 0.00 0.00 39.48 41.96 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 0.00 0.00 -0.38 -2.13 -0.00 -2.01 -2.70 115.31 108.09 1o8t h LEU 15 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.91 1o8t h LEU 15 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.63 1o8t h LEU 15 CO 0.00 0.10 0.18 0.74 -0.00 0.00 0.00 178.44 179.46 1o8t h THR 16 N 0.00 0.96 0.55 0.22 2.02 -1.97 -2.97 112.91 111.72 1o8t h THR 16 Ca -0.00 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 1o8t h THR 16 Cb 0.21 0.56 0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1o8t h THR 16 CO 0.01 0.07 -0.26 1.56 0.37 0.00 0.00 175.52 177.27 1o8t h GLN 17 N 0.36 -0.71 -0.53 6.66 7.50 -1.83 -3.21 115.11 123.35 1o8t h GLN 17 Ca 0.17 0.05 0.10 0.00 0.50 0.00 0.00 58.65 59.46 1o8t h GLN 17 Cb 0.09 0.16 -0.09 0.00 0.05 0.00 0.00 27.48 27.69 1o8t h GLN 17 CO -0.13 -0.43 -0.17 0.28 -1.50 0.00 0.00 178.83 176.88 1o8t n VAL 18 N -5.37 -0.25 -0.23 -0.54 0.31 -1.13 0.63 118.33 111.76 1o8t n VAL 18 Ca -0.12 1.23 0.03 0.00 -0.01 0.00 0.00 64.34 65.47 1o8t n VAL 18 Cb 0.32 -1.67 0.15 0.00 -0.91 0.00 0.00 33.84 31.72 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 0.33 -0.10 5.55 1.79 -1.54 0.36 116.57 122.96 1o8t h LYS 19 Ca 0.22 -0.02 -0.05 0.00 -2.18 0.00 0.00 60.65 58.63 1o8t h LYS 19 Cb 0.36 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.92 1o8t h LYS 19 CO -0.54 0.22 -0.15 0.93 -1.08 0.00 0.00 179.45 178.83 1o8t h GLU 20 N 0.34 0.15 -0.58 3.15 3.07 0.06 -1.59 114.58 119.17 1o8t h GLU 20 Ca 0.36 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.16 1o8t h GLU 20 Cb 0.55 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.41 1o8t h GLU 20 CO -0.41 0.31 0.26 1.03 -1.40 0.00 0.00 179.01 178.80 1o8t h SER 21 N 0.15 0.78 -0.30 1.42 0.87 -0.70 -0.99 113.55 114.78 1o8t h SER 21 Ca 0.03 -0.15 -0.17 0.00 -1.23 0.00 0.00 61.79 60.28 1o8t h SER 21 Cb 0.35 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.11 1o8t h SER 21 CO 0.02 0.71 -0.47 -0.07 -0.53 0.00 0.00 176.83 176.49 1o8t h LEU 22 N 0.80 0.93 0.29 2.23 4.07 -1.01 -2.39 115.31 120.22 1o8t h LEU 22 Ca 0.20 -0.52 -0.01 0.00 0.08 0.00 0.00 57.88 57.63 1o8t h LEU 22 Cb 0.15 -0.26 -0.00 0.00 1.08 0.00 0.00 40.66 41.62 1o8t h LEU 22 CO -0.02 1.26 -0.18 0.28 -1.08 0.00 0.00 178.44 178.70 1o8t h SER 23 N 0.62 -0.44 0.37 -0.43 0.02 -1.11 -1.35 113.55 111.23 1o8t h SER 23 Ca 0.03 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1o8t h SER 23 Cb 1.07 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1o8t h SER 23 CO 0.11 -0.29 0.00 0.77 -1.14 0.00 0.00 176.83 176.28 1o8t h SER 24 N -0.45 0.00 0.02 3.07 4.64 -1.23 -2.43 113.55 117.16 1o8t h SER 24 Ca -0.03 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.07 1o8t h SER 24 Cb 0.37 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.48 1o8t h SER 24 CO 0.03 0.00 -0.86 0.22 -0.87 0.00 0.00 176.83 175.35 1o8t h TYR 25 N 0.00 0.83 -0.64 4.77 5.03 -0.73 -3.29 116.97 122.93 1o8t h TYR 25 Ca 0.00 -0.47 -0.05 0.00 2.58 0.00 0.00 58.73 60.79 1o8t h TYR 25 Cb 0.18 -0.09 -0.03 0.00 1.55 0.00 0.00 36.73 38.35 1o8t h TYR 25 CO 0.00 1.30 0.19 2.35 -1.32 0.00 0.00 178.16 180.68 1o8t h TRP 26 N 0.12 1.01 -0.91 -3.82 -0.00 -0.84 0.02 115.95 111.53 1o8t h TRP 26 Ca -0.11 -0.09 0.09 0.00 -0.00 0.00 0.00 58.89 58.77 1o8t h TRP 26 Cb 1.55 -0.29 -0.12 0.00 -0.00 0.00 0.00 29.16 30.30 1o8t h TRP 26 CO 0.13 0.81 -0.57 0.93 -0.00 0.00 0.00 178.44 179.74 1o8t h GLU 27 N 0.94 -0.06 -0.00 2.65 3.07 -1.59 0.13 114.58 119.72 1o8t h GLU 27 Ca 0.21 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.07 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 -0.42 0.45 -1.40 0.00 0.00 179.01 177.59 1o8t n SER 28 N -5.28 0.58 -0.13 1.42 2.88 -1.20 -4.08 113.62 107.81 1o8t n SER 28 Ca 0.02 -0.35 0.01 0.00 -1.33 0.00 0.00 58.87 57.21 1o8t n SER 28 Cb 0.28 0.19 0.30 0.00 -0.75 0.00 0.00 64.21 64.23 1o8t n SER 28 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1o8t h ALA 29 N 3.15 1.51 -0.12 -1.46 0.00 0.13 -2.90 119.26 119.56 1o8t h ALA 29 Ca 0.00 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1o8t h ALA 29 Cb 0.50 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1o8t h ALA 29 CO 0.00 0.43 -0.23 -0.22 0.00 0.00 0.00 179.25 179.23 1o8t h LYS 30 N 0.82 -0.28 -1.02 0.00 3.11 -1.64 -0.15 116.57 117.41 1o8t h LYS 30 Ca 0.22 0.02 0.26 0.00 -2.81 0.00 0.00 60.65 58.33 1o8t h LYS 30 Cb -0.03 0.06 -0.12 0.00 -1.00 0.00 0.00 32.23 31.15 1o8t h LYS 30 CO -0.04 -0.19 0.62 1.15 -2.81 0.00 0.00 179.45 178.18 1o8t h THR 31 N -0.29 0.52 -0.61 1.00 2.02 -1.78 0.42 112.91 114.19 1o8t h THR 31 Ca 0.10 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 1o8t h THR 31 Cb 0.44 -0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.78 1o8t h THR 31 CO -0.29 0.09 0.29 0.00 0.37 0.00 0.00 175.52 175.98 1o8t h ALA 32 N 1.70 0.78 -0.28 6.16 0.00 -1.05 -0.93 119.26 125.64 1o8t h ALA 32 Ca 0.64 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.47 1o8t h ALA 32 Cb 1.34 -0.24 -0.08 0.00 0.00 0.00 0.00 17.79 18.81 1o8t h ALA 32 CO -0.42 0.35 -0.37 0.00 0.00 0.00 0.00 179.25 178.81 1o8t h ALA 33 N 1.12 -0.38 -0.57 0.00 0.00 0.65 0.59 119.26 120.68 1o8t h ALA 33 Ca 0.21 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1o8t h ALA 33 Cb 0.12 0.75 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1o8t h ALA 33 CO -0.03 -0.82 0.10 1.96 0.00 0.00 0.00 179.25 180.46 1o8t h GLN 34 N -0.36 0.91 0.00 0.00 4.20 -1.41 -1.95 115.11 116.49 1o8t h GLN 34 Ca 0.12 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 1o8t h GLN 34 Cb 0.57 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.23 1o8t h GLN 34 CO -0.47 0.84 -0.07 -0.97 -0.67 0.00 0.00 178.83 177.49 1o8t h ASN 35 N 0.86 0.00 -0.40 1.46 -1.24 0.38 -1.58 115.58 115.06 1o8t h ASN 35 Ca 0.18 0.00 0.05 0.00 0.71 0.00 0.00 56.30 57.24 1o8t h ASN 35 Cb 0.37 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.38 1o8t h ASN 35 CO 0.01 0.07 0.13 0.25 -1.29 0.00 0.00 177.43 176.60 1o8t h LEU 36 N 0.00 0.12 -1.06 0.34 7.12 0.93 0.11 115.31 122.87 1o8t h LEU 36 Ca -0.00 0.05 -0.04 0.00 0.13 0.00 0.00 57.88 58.02 1o8t h LEU 36 Cb 0.15 0.04 -0.03 0.00 -0.53 0.00 0.00 40.66 40.29 1o8t h LEU 36 CO 0.01 0.10 0.17 1.88 -0.13 0.00 0.00 178.44 180.48 1o8t h TYR 37 N 0.28 0.86 0.24 1.25 0.05 -1.34 -2.92 116.97 115.39 1o8t h TYR 37 Ca 0.19 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.90 1o8t h TYR 37 Cb 0.18 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 37.65 1o8t h TYR 37 CO -0.16 0.70 -0.22 0.93 -1.05 0.00 0.00 178.16 178.36 1o8t h GLU 38 N 0.82 -0.47 0.00 4.88 3.07 -0.33 -1.84 114.58 120.71 1o8t h GLU 38 Ca 0.19 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.08 1o8t h GLU 38 Cb 0.24 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.26 1o8t h GLU 38 CO -0.01 -0.32 0.00 1.63 -1.40 0.00 0.00 179.01 178.92 1o8t n LYS 39 N -5.35 0.00 -0.03 2.33 4.76 -0.03 -2.57 118.16 117.27 1o8t n LYS 39 Ca -0.08 0.39 -0.14 0.00 -2.87 0.00 0.00 58.31 55.61 1o8t n LYS 39 Cb 0.26 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 31.84 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 1.54 -0.31 -0.18 2.02 -1.15 -3.27 112.91 111.56 1o8t h THR 40 Ca 0.00 -1.63 -0.08 0.00 0.77 0.00 0.00 66.41 65.48 1o8t h THR 40 Cb 0.10 2.61 -0.02 0.00 -1.74 0.00 0.00 68.15 69.11 1o8t h THR 40 CO 0.00 0.43 -0.14 1.88 0.37 0.00 0.00 175.52 178.06 1o8t h TYR 41 N -0.63 0.58 -3.41 3.16 0.05 -1.50 -3.43 116.97 111.79 1o8t h TYR 41 Ca -0.00 -0.10 -0.54 0.00 0.05 0.00 0.00 58.73 58.14 1o8t h TYR 41 Cb 0.72 -0.15 -0.04 0.00 1.01 0.00 0.00 36.73 38.27 1o8t h TYR 41 CO 0.16 0.65 0.07 -0.51 -1.05 0.00 0.00 178.16 177.48 1o8t s LEU 42 N -8.86 4.50 -0.22 3.88 1.02 -1.17 -4.98 118.68 112.85 1o8t s LEU 42 Ca -0.07 1.41 0.03 0.00 0.02 0.00 0.00 54.13 55.52 1o8t s LEU 42 Cb 0.14 -3.21 0.37 0.00 0.02 0.00 0.00 46.19 43.51 1o8t s LEU 42 CO 0.78 0.19 1.43 -0.81 0.02 0.00 0.00 176.35 177.96 1o8t n PRO 43 N 1.38 1.93 0.20 1.29 -0.04 -1.26 -4.44 135.00 134.06 1o8t n PRO 43 Ca -0.07 -1.61 0.14 0.00 -0.04 0.00 0.00 63.50 61.93 1o8t n PRO 43 Cb 0.50 -1.68 0.66 0.00 -0.04 0.00 0.00 33.50 32.95 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 1.77 1.00 -0.91 0.55 0.00 -1.94 -3.27 119.26 116.47 1o8t h ALA 44 Ca 0.28 0.00 0.23 0.00 0.00 0.00 0.00 54.91 55.42 1o8t h ALA 44 Cb 1.86 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 19.49 1o8t h ALA 44 CO 0.53 0.00 0.01 -0.39 0.00 0.00 0.00 179.25 179.40 1o8t h VAL 45 N 0.00 0.14 0.12 0.00 -1.51 -1.87 0.43 116.25 113.56 1o8t h VAL 45 Ca 0.00 -0.02 -0.27 0.00 -1.23 0.00 0.00 66.70 65.18 1o8t h VAL 45 Cb 0.24 0.08 0.00 0.00 -2.13 0.00 0.00 31.29 29.49 1o8t h VAL 45 CO 0.00 0.01 -1.23 0.44 -1.23 0.00 0.00 177.57 175.56 1o8t h ASP 46 N 0.05 0.39 0.50 4.19 3.32 -1.96 -3.16 116.42 119.75 1o8t h ASP 46 Ca 0.53 -0.42 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1o8t h ASP 46 Cb 1.02 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.44 1o8t h ASP 46 CO -0.83 1.33 -0.24 -0.08 -1.72 0.00 0.00 179.24 177.70 1o8t h GLU 47 N 0.07 -0.65 -0.07 3.56 4.57 -1.05 -3.07 114.58 117.93 1o8t h GLU 47 Ca -0.13 0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.12 1o8t h GLU 47 Cb 1.96 0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 30.69 1o8t h GLU 47 CO 0.20 -0.36 0.14 0.87 -1.18 0.00 0.00 179.01 178.68 1o8t h LYS 48 N -1.06 0.00 0.69 1.92 1.79 -0.44 0.11 116.57 119.58 1o8t h LYS 48 Ca -0.07 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.37 1o8t h LYS 48 Cb 0.60 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.25 1o8t h LYS 48 CO 0.11 0.00 -0.33 1.25 -1.08 0.00 0.00 179.45 179.40 1o8t h LEU 49 N 0.00 -0.79 -1.40 2.94 5.85 -1.50 -0.71 115.31 119.70 1o8t h LEU 49 Ca 0.03 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 1o8t h LEU 49 Cb 0.32 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 1o8t h LEU 49 CO -0.00 -0.50 0.01 -0.09 -0.34 0.00 0.00 178.44 177.52 1o8t h ARG 50 N -1.07 0.40 0.59 1.25 1.12 -1.40 -0.76 114.38 114.51 1o8t h ARG 50 Ca -0.10 -0.07 -0.02 0.00 -1.11 0.00 0.00 59.98 58.68 1o8t h ARG 50 Cb 0.71 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.59 1o8t h ARG 50 CO 0.16 0.43 -0.48 -0.44 -3.11 0.00 0.00 179.97 176.52 1o8t h ASP 51 N 0.39 -1.28 0.97 -3.80 3.32 -0.86 -1.88 116.42 113.29 1o8t h ASP 51 Ca 0.09 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1o8t h ASP 51 Cb 0.25 0.40 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1o8t h ASP 51 CO 0.01 -0.67 0.00 0.25 -1.72 0.00 0.00 179.24 177.10 1o8t h LEU 52 N -1.04 0.00 -0.36 1.55 6.46 -1.05 -3.07 115.31 117.80 1o8t h LEU 52 Ca -0.08 0.00 -0.08 0.00 -0.12 0.00 0.00 57.88 57.60 1o8t h LEU 52 Cb 0.87 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.79 1o8t h LEU 52 CO 0.00 0.00 -0.08 0.22 -0.62 0.00 0.00 178.44 177.96 1o8t h TYR 53 N 0.00 0.78 0.29 1.25 5.03 -0.59 0.18 116.97 123.91 1o8t h TYR 53 Ca 0.00 -0.17 -0.01 0.00 2.58 0.00 0.00 58.73 61.13 1o8t h TYR 53 Cb 0.49 -0.19 0.00 0.00 1.55 0.00 0.00 36.73 38.58 1o8t h TYR 53 CO 0.00 0.84 -0.14 0.77 -1.32 0.00 0.00 178.16 178.31 1o8t h SER 54 N 0.49 -0.33 -0.56 -2.11 0.02 -1.26 -0.50 113.55 109.30 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 0.59 0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.19 1o8t h SER 54 CO 0.03 -0.19 0.30 0.50 -1.14 0.00 0.00 176.83 176.33 1o8t h LYS 55 N -0.45 0.79 -0.79 3.45 3.64 -1.60 -2.95 116.57 118.66 1o8t h LYS 55 Ca -0.04 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.21 1o8t h LYS 55 Cb 0.34 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 1o8t h LYS 55 CO 0.07 0.62 0.35 0.66 -2.27 0.00 0.00 179.45 178.87 1o8t h SER 56 N 0.76 1.06 -0.72 4.20 4.64 -0.85 -2.78 113.55 119.85 1o8t h SER 56 Ca 0.20 -0.15 0.04 0.00 -0.47 0.00 0.00 61.79 61.40 1o8t h SER 56 Cb 0.06 -0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 61.83 1o8t h SER 56 CO -0.03 0.92 0.45 0.74 -0.87 0.00 0.00 176.83 178.04 1o8t h THR 57 N 1.13 1.07 0.37 2.95 2.02 -0.92 0.24 112.91 119.77 1o8t h THR 57 Ca 0.27 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 1o8t h THR 57 Cb 0.16 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 1o8t h THR 57 CO -0.03 0.16 -0.18 0.00 0.37 0.00 0.00 175.52 175.84 1o8t h ALA 58 N 1.32 -0.50 -0.44 6.16 0.00 -1.38 -2.68 119.26 121.74 1o8t h ALA 58 Ca 0.30 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1o8t h ALA 58 Cb 0.06 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1o8t h ALA 58 CO -0.13 -0.76 0.14 0.00 0.00 0.00 0.00 179.25 178.50 1o8t h ALA 59 N 0.10 1.42 0.00 0.00 0.00 -1.28 -2.27 119.26 117.23 1o8t h ALA 59 Ca -0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1o8t h ALA 59 Cb 0.40 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1o8t h ALA 59 CO 0.08 0.43 -0.05 1.98 0.00 0.00 0.00 179.25 181.70 1o8t h MET 60 N 0.64 0.00 0.00 0.00 4.05 -0.29 -1.11 114.93 118.21 1o8t h MET 60 Ca 0.15 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.56 1o8t h MET 60 Cb 0.19 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.98 1o8t h MET 60 CO -0.01 0.05 -0.07 0.77 0.23 0.00 0.00 176.91 177.87 1o8t h SER 61 N 0.00 0.00 0.00 1.39 0.02 -1.07 -0.79 113.55 113.09 1o8t h SER 61 Ca -0.00 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.60 1o8t h SER 61 Cb 0.13 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.61 1o8t h SER 61 CO 0.01 0.07 -2.21 0.35 -1.14 0.00 0.00 176.83 173.91 1o8t n THR 62 N -3.30 1.20 0.29 -2.27 -2.24 -0.72 -4.46 114.28 102.78 1o8t n THR 62 Ca -0.01 -0.35 0.14 0.00 -2.27 0.00 0.00 64.05 61.56 1o8t n THR 62 Cb 0.27 -1.62 0.65 0.00 -2.10 0.00 0.00 70.33 67.52 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 -0.55 0.00 0.40 4.78 0.05 -1.29 -1.40 116.97 118.97 1o8t h TYR 63 Ca -0.53 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.23 1o8t h TYR 63 Cb 1.56 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.30 1o8t h TYR 63 CO -0.04 0.00 -0.19 1.15 -1.05 0.00 0.00 178.16 178.03 1o8t h THR 64 N 0.00 0.35 -0.57 -2.88 2.02 -1.35 0.67 112.91 111.15 1o8t h THR 64 Ca 0.00 -0.64 -0.07 0.00 0.77 0.00 0.00 66.41 66.47 1o8t h THR 64 Cb 0.21 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 1o8t h THR 64 CO 0.00 0.07 0.07 1.23 0.37 0.00 0.00 175.52 177.26 1o8t h GLY 65 N -1.01 0.99 0.78 2.16 0.00 -1.75 -1.31 103.07 102.93 1o8t h GLY 65 Ca -0.05 -0.64 -0.04 0.00 0.00 0.00 0.00 47.33 46.59 1o8t h GLY 65 CO 0.09 0.60 -0.37 -2.22 0.00 0.00 0.00 176.54 174.63 1o8t h ILE 66 N 0.87 0.00 -0.06 2.60 2.04 -1.28 0.61 117.51 122.29 1o8t h ILE 66 Ca 0.17 -0.17 0.03 0.00 1.00 0.00 0.00 64.86 65.90 1o8t h ILE 66 Cb 0.41 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.43 1o8t h ILE 66 CO 0.01 0.00 -0.44 0.15 0.00 0.00 0.00 178.15 177.87 1o8t h PHE 67 N -1.22 -1.27 0.00 1.37 3.57 0.36 -0.07 116.94 119.68 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 0.80 0.56 0.00 0.00 2.79 0.00 0.00 35.95 40.11 1o8t h PHE 67 CO 0.01 -0.50 0.00 1.15 -2.23 0.00 0.00 178.31 176.74 1o8t h THR 68 N -0.56 0.00 0.66 4.41 2.02 -1.31 -3.09 112.91 115.04 1o8t h THR 68 Ca 0.05 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 1o8t h THR 68 Cb 0.66 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1o8t h THR 68 CO -0.36 0.00 -0.46 -0.78 0.37 0.00 0.00 175.52 174.28 1o8t h ASP 69 N 0.00 -1.20 0.75 4.18 1.82 0.11 0.26 116.42 122.34 1o8t h ASP 69 Ca 0.00 0.08 -0.05 0.00 -0.39 0.00 0.00 57.03 56.66 1o8t h ASP 69 Cb 0.20 0.36 -0.01 0.00 0.68 0.00 0.00 39.33 40.57 1o8t h ASP 69 CO 0.00 -0.69 -0.25 -0.61 -1.61 0.00 0.00 179.24 176.09 1o8t h GLN 70 N -1.08 0.00 0.34 0.28 -0.00 -1.56 -1.75 115.11 111.35 1o8t h GLN 70 Ca -0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.55 1o8t h GLN 70 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.37 1o8t h GLN 70 CO 0.05 0.25 -0.17 0.28 0.00 0.00 0.00 178.83 179.24 1o8t h VAL 71 N 0.00 0.59 -0.70 2.39 2.07 -1.40 -2.24 116.25 116.95 1o8t h VAL 71 Ca -0.00 -0.62 0.08 0.00 0.82 0.00 0.00 66.70 66.97 1o8t h VAL 71 Cb 0.69 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 1o8t h VAL 71 CO 0.03 0.11 0.46 0.25 0.02 0.00 0.00 177.57 178.44 1o8t h LEU 72 N -0.85 0.59 -1.14 2.57 5.85 -0.46 -0.22 115.31 121.64 1o8t h LEU 72 Ca -0.05 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.74 1o8t h LEU 72 Cb 0.53 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 1o8t h LEU 72 CO 0.08 0.37 0.59 -1.28 -0.34 0.00 0.00 178.44 177.86 1o8t h SER 73 N 0.67 0.92 1.05 1.25 0.87 -1.13 0.98 113.55 118.16 1o8t h SER 73 Ca 0.31 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 1o8t h SER 73 Cb 0.35 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1o8t h SER 73 CO -0.10 0.60 0.00 0.58 -0.53 0.00 0.00 176.83 177.38 1o8t h VAL 74 N 1.05 0.00 -0.56 2.23 2.07 -0.42 -2.90 116.25 117.72 1o8t h VAL 74 Ca 0.38 -0.48 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 1o8t h VAL 74 Cb 0.16 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 1o8t h VAL 74 CO -0.14 0.00 0.09 0.25 0.02 0.00 0.00 177.57 177.79 1o8t h LEU 75 N 0.00 0.84 -0.21 2.57 6.46 -0.56 -2.87 115.31 121.54 1o8t h LEU 75 Ca 0.00 -0.18 -0.13 0.00 -0.12 0.00 0.00 57.88 57.45 1o8t h LEU 75 Cb 0.53 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.23 1o8t h LEU 75 CO 0.00 0.85 -0.37 0.50 -0.62 0.00 0.00 178.44 178.80 1o8t h LYS 76 N 0.84 0.63 -1.91 1.25 3.64 -1.50 -0.50 116.57 119.01 1o8t h LYS 76 Ca 0.17 -0.39 -0.66 0.00 -1.27 0.00 0.00 60.65 58.51 1o8t h LYS 76 Cb 0.38 0.04 -0.24 0.00 -0.41 0.00 0.00 32.23 32.00 1o8t h LYS 76 CO 0.01 1.01 0.81 0.41 -2.27 0.00 0.00 179.45 179.41 1o8t n GLY 77 N 0.37 5.10 0.71 5.01 0.00 -1.11 -4.44 105.19 110.83 1o8t n GLY 77 Ca -0.05 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.74 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 -0.06 0.00 -0.82 1.61 4.07 -1.10 -4.96 120.64 119.38 1o8t n GLU 78 Ca 0.52 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.62 1o8t n GLU 78 Cb 0.38 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.76 1o8t n GLU 78 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16