#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 1.66 0.12 -2.82 2.00 -1.26 -4.89 119.66 114.47 1o8t s GLN 2 Ca 0.00 -1.16 0.00 0.00 -2.00 0.00 0.00 55.36 52.20 1o8t s GLN 2 Cb 0.00 -1.92 -0.04 0.00 0.80 0.00 0.00 33.01 31.85 1o8t s GLN 2 CO 0.00 0.49 -0.01 -0.65 -0.50 0.00 0.00 175.29 174.62 1o8t s GLN 3 N -1.45 0.88 0.60 1.67 1.11 -1.26 -5.04 119.66 116.16 1o8t s GLN 3 Ca 0.12 -1.39 0.29 0.00 0.01 0.00 0.00 55.36 54.39 1o8t s GLN 3 Cb -0.10 0.00 1.68 0.00 -1.01 0.00 0.00 33.01 33.59 1o8t s GLN 3 CO 0.03 -0.14 2.10 -1.00 0.01 0.00 0.00 175.29 176.29 1o8t h PRO 4 N 2.91 0.00 -7.48 2.91 0.13 -2.03 -3.41 132.00 125.02 1o8t h PRO 4 Ca -0.35 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.34 1o8t h PRO 4 Cb 1.18 0.00 0.17 0.00 0.13 0.00 0.00 31.00 32.48 1o8t h PRO 4 CO 0.63 0.00 0.23 1.14 -0.23 0.00 0.00 178.00 179.76 1o8t s GLN 5 N -4.59 -0.17 -1.01 0.86 1.03 -1.26 -4.86 119.66 109.65 1o8t s GLN 5 Ca -0.05 0.04 -0.24 0.00 0.04 0.00 0.00 55.36 55.15 1o8t s GLN 5 Cb 0.15 -1.71 -0.15 0.00 0.03 0.00 0.00 33.01 31.33 1o8t s GLN 5 CO 0.53 -3.03 1.94 1.04 -2.54 0.00 0.00 175.29 173.23 1o8t n GLN 6 N -4.30 1.24 -2.30 9.60 3.00 -1.26 -4.93 117.38 118.44 1o8t n GLN 6 Ca 0.11 -2.14 -0.41 0.00 -0.01 0.00 0.00 57.00 54.55 1o8t n GLN 6 Cb 0.59 -3.53 -0.03 0.00 0.00 0.00 0.00 30.24 27.27 1o8t n GLN 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1o8t s ASP 7 N 6.54 7.00 0.18 1.08 1.11 -1.26 -4.94 116.67 126.37 1o8t s ASP 7 Ca 0.68 2.33 -0.06 0.00 0.18 0.00 0.00 52.55 55.68 1o8t s ASP 7 Cb 0.03 -2.61 0.06 0.00 1.07 0.00 0.00 42.92 41.47 1o8t s ASP 7 CO 0.16 -0.43 1.51 -0.33 1.18 0.00 0.00 175.17 177.25 1o8t h GLU 8 N 5.10 0.73 -6.75 8.23 3.07 -1.95 -3.44 114.58 119.57 1o8t h GLU 8 Ca -0.45 -0.41 -0.52 0.00 -0.50 0.00 0.00 59.36 57.48 1o8t h GLU 8 Cb 1.21 0.03 0.04 0.00 -0.84 0.00 0.00 28.75 29.19 1o8t h GLU 8 CO 0.75 1.03 0.64 -1.64 -1.40 0.00 0.00 179.01 178.39 1o8t s MET 9 N -4.22 4.40 0.63 2.33 -1.94 -1.26 -5.01 119.30 114.23 1o8t s MET 9 Ca -0.09 2.09 -0.16 0.00 -1.71 0.00 0.00 55.69 55.83 1o8t s MET 9 Cb 0.11 -3.15 -0.02 0.00 2.01 0.00 0.00 34.83 33.78 1o8t s MET 9 CO 0.86 -0.20 1.10 -1.25 -0.01 0.00 0.00 175.02 175.51 1o8t s PRO 10 N -0.72 3.00 0.09 2.03 0.04 -1.26 -4.99 135.00 133.19 1o8t s PRO 10 Ca 0.54 1.36 -0.31 0.00 0.04 0.00 0.00 61.00 62.63 1o8t s PRO 10 Cb -0.37 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.12 1o8t s PRO 10 CO 0.43 -1.08 1.24 -1.54 0.04 0.00 0.00 177.00 176.08 1o8t s SER 11 N -2.56 7.03 1.18 6.66 1.04 -1.26 -5.03 113.70 120.75 1o8t s SER 11 Ca 0.67 2.11 -0.18 0.00 0.48 0.00 0.00 55.95 59.03 1o8t s SER 11 Cb -0.20 -2.58 0.26 0.00 0.10 0.00 0.00 66.02 63.60 1o8t s SER 11 CO 0.39 -0.49 1.04 -0.81 0.98 0.00 0.00 173.24 174.35 1o8t n PRO 12 N 3.72 -2.55 -1.32 4.02 -0.04 -1.26 -5.05 135.00 132.52 1o8t n PRO 12 Ca 0.09 -1.65 -0.29 0.00 -0.04 0.00 0.00 63.50 61.61 1o8t n PRO 12 Cb 0.45 -1.43 0.16 0.00 -0.04 0.00 0.00 33.50 32.64 1o8t n PRO 12 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1o8t s THR 13 N -2.99 2.10 0.11 0.52 -4.23 -1.26 -5.03 115.64 104.85 1o8t s THR 13 Ca 0.65 0.03 0.00 0.00 -1.18 0.00 0.00 61.69 61.20 1o8t s THR 13 Cb -0.05 -2.63 0.00 0.00 1.34 0.00 0.00 72.50 71.16 1o8t s THR 13 CO 0.49 -0.04 0.00 0.49 -0.54 0.00 0.00 174.62 175.02 1o8t n PHE 14 N -3.99 -0.47 -0.04 3.99 3.72 -1.26 -4.64 117.46 114.78 1o8t n PHE 14 Ca 0.06 0.08 -0.11 0.00 -0.05 0.00 0.00 57.45 57.43 1o8t n PHE 14 Cb 0.58 0.14 -0.05 0.00 -0.94 0.00 0.00 39.48 39.21 1o8t n PHE 14 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1o8t h LEU 15 N 0.00 0.22 -1.85 4.37 3.38 -2.03 -2.66 115.31 116.75 1o8t h LEU 15 Ca 0.00 -0.13 0.07 0.00 0.09 0.00 0.00 57.88 57.91 1o8t h LEU 15 Cb 0.22 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1o8t h LEU 15 CO 0.00 0.28 0.24 0.74 0.09 0.00 0.00 178.44 179.80 1o8t h THR 16 N 0.14 0.92 0.00 0.22 2.02 -2.01 -1.41 112.91 112.79 1o8t h THR 16 Ca 0.06 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1o8t h THR 16 Cb 0.12 0.72 -0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1o8t h THR 16 CO -0.01 0.03 -0.09 1.56 0.37 0.00 0.00 175.52 177.39 1o8t h GLN 17 N 0.19 0.00 -0.48 6.66 1.08 -1.73 -3.26 115.11 117.57 1o8t h GLN 17 Ca 0.16 0.00 0.15 0.00 -1.45 0.00 0.00 58.65 57.51 1o8t h GLN 17 Cb 0.39 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 27.74 1o8t h GLN 17 CO -0.03 0.09 0.06 1.55 -0.95 0.00 0.00 178.83 179.55 1o8t n VAL 18 N -4.17 -0.20 0.13 -0.54 3.14 -0.53 -0.21 118.33 115.95 1o8t n VAL 18 Ca -0.03 1.04 -0.16 0.00 -2.96 0.00 0.00 64.34 62.23 1o8t n VAL 18 Cb 0.17 -1.55 -0.10 0.00 -1.06 0.00 0.00 33.84 31.30 1o8t n VAL 18 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 1o8t h LYS 19 N 0.00 -0.74 0.00 1.45 6.56 -1.81 -0.56 116.57 121.47 1o8t h LYS 19 Ca 0.31 0.05 -0.03 0.00 -1.06 0.00 0.00 60.65 59.93 1o8t h LYS 19 Cb 0.70 0.17 -0.00 0.00 -0.57 0.00 0.00 32.23 32.52 1o8t h LYS 19 CO -0.43 -0.49 -0.14 0.93 -2.06 0.00 0.00 179.45 177.25 1o8t h GLU 20 N -0.77 0.00 -0.66 3.15 4.39 -0.87 -2.47 114.58 117.35 1o8t h GLU 20 Ca -0.01 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 1o8t h GLU 20 Cb 0.76 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.38 1o8t h GLU 20 CO -0.25 0.14 0.29 1.03 -1.16 0.00 0.00 179.01 179.06 1o8t h SER 21 N 0.00 0.89 -0.26 1.42 0.87 -0.36 -1.78 113.55 114.33 1o8t h SER 21 Ca -0.00 -0.15 -0.18 0.00 -1.23 0.00 0.00 61.79 60.23 1o8t h SER 21 Cb 0.31 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1o8t h SER 21 CO 0.02 0.80 -0.52 -0.07 -0.53 0.00 0.00 176.83 176.53 1o8t h LEU 22 N 0.93 0.93 0.32 2.23 4.07 -0.70 -2.53 115.31 120.56 1o8t h LEU 22 Ca 0.22 -0.49 -0.01 0.00 0.08 0.00 0.00 57.88 57.69 1o8t h LEU 22 Cb 0.17 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 41.64 1o8t h LEU 22 CO -0.02 1.27 -0.19 -1.28 -1.08 0.00 0.00 178.44 177.14 1o8t h SER 23 N 0.65 -0.48 0.37 -0.43 0.87 -1.27 0.23 113.55 113.50 1o8t h SER 23 Ca 0.02 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1o8t h SER 23 Cb 1.11 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 1o8t h SER 23 CO 0.11 -0.31 0.00 0.28 -0.53 0.00 0.00 176.83 176.38 1o8t h SER 24 N -0.49 0.00 0.14 6.23 0.02 -1.38 -2.14 113.55 115.93 1o8t h SER 24 Ca -0.03 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.67 1o8t h SER 24 Cb 0.41 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.96 1o8t h SER 24 CO 0.04 0.00 -1.20 0.22 -1.14 0.00 0.00 176.83 174.75 1o8t h TYR 25 N 0.00 0.54 -0.50 3.45 3.20 -0.83 -3.35 116.97 119.48 1o8t h TYR 25 Ca 0.00 -0.40 -0.05 0.00 3.14 0.00 0.00 58.73 61.42 1o8t h TYR 25 Cb 0.19 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 1o8t h TYR 25 CO 0.00 1.46 0.11 -1.49 -1.64 0.00 0.00 178.16 176.60 1o8t h TRP 26 N -0.28 0.80 -0.91 -3.82 -0.00 -0.14 0.46 115.95 112.07 1o8t h TRP 26 Ca -0.24 -0.07 0.09 0.00 -0.00 0.00 0.00 58.89 58.67 1o8t h TRP 26 Cb 1.76 -0.23 -0.12 0.00 -0.00 0.00 0.00 29.16 30.57 1o8t h TRP 26 CO 0.15 0.68 -0.56 0.93 -0.00 0.00 0.00 178.44 179.65 1o8t h GLU 27 N 0.75 -0.05 -0.01 0.49 5.08 -1.53 0.33 114.58 119.63 1o8t h GLU 27 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1o8t h GLU 27 Cb 0.30 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1o8t h GLU 27 CO 0.00 -0.04 -0.34 0.45 -1.00 0.00 0.00 179.01 178.08 1o8t n SER 28 N -5.29 1.53 -0.34 1.42 2.88 -1.20 -4.28 113.62 108.34 1o8t n SER 28 Ca 0.02 -1.21 -0.03 0.00 -1.33 0.00 0.00 58.87 56.32 1o8t n SER 28 Cb 0.29 0.28 0.09 0.00 -0.75 0.00 0.00 64.21 64.12 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 3.82 1.15 -0.44 -1.46 0.00 0.13 -2.82 119.26 119.65 1o8t h ALA 29 Ca 0.00 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.90 1o8t h ALA 29 Cb 0.63 -0.36 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 1o8t h ALA 29 CO 0.00 0.60 0.03 1.57 0.00 0.00 0.00 179.25 181.45 1o8t h LYS 30 N 1.24 0.14 -1.01 0.00 5.09 -1.71 0.36 116.57 120.68 1o8t h LYS 30 Ca 0.33 -0.01 0.25 0.00 0.09 0.00 0.00 60.65 61.31 1o8t h LYS 30 Cb -0.07 -0.03 -0.12 0.00 0.10 0.00 0.00 32.23 32.10 1o8t h LYS 30 CO -0.06 0.09 0.60 1.15 -2.09 0.00 0.00 179.45 179.14 1o8t h THR 31 N 0.15 0.53 -0.40 0.07 2.02 -1.78 0.37 112.91 113.87 1o8t h THR 31 Ca 0.22 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 1o8t h THR 31 Cb 0.31 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.61 1o8t h THR 31 CO -0.34 0.10 0.19 0.00 0.37 0.00 0.00 175.52 175.85 1o8t h ALA 32 N 1.73 0.51 -0.39 6.16 0.00 -0.95 -0.60 119.26 125.72 1o8t h ALA 32 Ca 0.65 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.53 1o8t h ALA 32 Cb 1.24 -0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.79 1o8t h ALA 32 CO -0.47 0.08 -0.26 0.00 0.00 0.00 0.00 179.25 178.59 1o8t h ALA 33 N 1.04 -0.05 -0.63 0.00 0.00 0.31 0.51 119.26 120.43 1o8t h ALA 33 Ca 0.14 0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 1o8t h ALA 33 Cb 0.12 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1o8t h ALA 33 CO -0.02 -0.65 0.13 1.96 0.00 0.00 0.00 179.25 180.67 1o8t h GLN 34 N -0.20 1.01 0.00 0.00 7.50 -1.33 -1.91 115.11 120.19 1o8t h GLN 34 Ca 0.19 -0.24 -0.01 0.00 0.50 0.00 0.00 58.65 59.08 1o8t h GLN 34 Cb 0.49 -0.13 -0.00 0.00 0.05 0.00 0.00 27.48 27.89 1o8t h GLN 34 CO -0.51 0.91 -0.07 -0.97 -1.50 0.00 0.00 178.83 176.69 1o8t h ASN 35 N 0.96 0.00 -0.42 1.46 -0.73 0.68 -1.70 115.58 115.82 1o8t h ASN 35 Ca 0.20 0.00 0.05 0.00 1.87 0.00 0.00 56.30 58.42 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 0.07 0.15 0.25 -0.37 0.00 0.00 177.43 177.54 1o8t h LEU 36 N 0.00 0.16 -1.14 0.34 5.85 0.76 0.16 115.31 121.44 1o8t h LEU 36 Ca -0.00 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1o8t h LEU 36 Cb 0.15 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1o8t h LEU 36 CO 0.01 0.13 0.12 1.88 -0.34 0.00 0.00 178.44 180.24 1o8t h TYR 37 N 0.32 0.75 0.64 1.25 -1.99 -1.36 -2.90 116.97 113.68 1o8t h TYR 37 Ca 0.20 -0.06 -0.02 0.00 2.00 0.00 0.00 58.73 60.84 1o8t h TYR 37 Cb 0.18 -0.22 -0.01 0.00 2.00 0.00 0.00 36.73 38.68 1o8t h TYR 37 CO -0.15 0.63 -0.43 1.49 -0.00 0.00 0.00 178.16 179.70 1o8t h GLU 38 N 0.71 -0.99 0.00 4.88 4.22 -0.37 -2.33 114.58 120.71 1o8t h GLU 38 Ca 0.16 0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.67 1o8t h GLU 38 Cb 0.26 0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1o8t h GLU 38 CO -0.00 -0.66 0.00 1.17 -2.18 0.00 0.00 179.01 177.34 1o8t n LYS 39 N -5.56 0.06 -0.03 1.92 3.00 0.07 -2.19 118.16 115.43 1o8t n LYS 39 Ca -0.13 0.56 -0.12 0.00 -0.00 0.00 0.00 58.31 58.62 1o8t n LYS 39 Cb 0.44 -1.71 -0.07 0.00 0.00 0.00 0.00 35.03 33.69 1o8t n LYS 39 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1o8t h THR 40 N 0.00 1.28 -0.15 3.15 2.02 -1.21 -3.25 112.91 114.74 1o8t h THR 40 Ca 0.00 -0.89 -0.02 0.00 0.77 0.00 0.00 66.41 66.27 1o8t h THR 40 Cb 0.00 1.67 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 1o8t h THR 40 CO 0.00 0.25 0.01 1.88 0.37 0.00 0.00 175.52 178.03 1o8t h TYR 41 N -0.13 0.29 -3.96 3.16 0.05 -1.51 -3.44 116.97 111.42 1o8t h TYR 41 Ca 0.03 -0.05 -0.49 0.00 0.05 0.00 0.00 58.73 58.27 1o8t h TYR 41 Cb 0.40 -0.08 0.02 0.00 1.01 0.00 0.00 36.73 38.09 1o8t h TYR 41 CO 0.04 0.47 0.42 -0.51 -1.05 0.00 0.00 178.16 177.54 1o8t s LEU 42 N -9.55 4.13 -0.28 3.88 1.02 -1.21 -4.96 118.68 111.71 1o8t s LEU 42 Ca -0.14 2.08 0.02 0.00 0.02 0.00 0.00 54.13 56.11 1o8t s LEU 42 Cb 0.06 -4.18 0.40 0.00 0.02 0.00 0.00 46.19 42.49 1o8t s LEU 42 CO 0.71 -0.54 1.57 -0.81 0.02 0.00 0.00 176.35 177.31 1o8t n PRO 43 N -0.10 1.77 0.20 1.29 -0.04 -1.26 -4.49 135.00 132.37 1o8t n PRO 43 Ca 0.05 -1.84 0.14 0.00 -0.04 0.00 0.00 63.50 61.82 1o8t n PRO 43 Cb 0.49 -1.72 0.67 0.00 -0.04 0.00 0.00 33.50 32.90 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 1.40 1.00 -0.67 0.55 0.00 -1.93 -3.30 119.26 116.31 1o8t h ALA 44 Ca 0.39 0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.37 1o8t h ALA 44 Cb 2.10 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 19.79 1o8t h ALA 44 CO 0.68 0.00 -0.54 0.28 0.00 0.00 0.00 179.25 179.67 1o8t h VAL 45 N 0.00 0.01 -0.11 0.00 2.07 -1.88 0.43 116.25 116.78 1o8t h VAL 45 Ca 0.00 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 1o8t h VAL 45 Cb 0.24 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 1o8t h VAL 45 CO 0.00 0.00 -0.32 0.44 0.02 0.00 0.00 177.57 177.71 1o8t h ASP 46 N -0.21 0.21 0.31 0.57 5.19 -1.97 -2.91 116.42 117.60 1o8t h ASP 46 Ca 0.13 -0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.46 1o8t h ASP 46 Cb 0.53 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.98 1o8t h ASP 46 CO -0.75 0.53 -0.15 -0.08 -3.12 0.00 0.00 179.24 175.67 1o8t h GLU 47 N 0.18 -0.40 -0.41 3.56 4.57 -1.22 -3.01 114.58 117.85 1o8t h GLU 47 Ca 0.02 0.03 0.12 0.00 -1.18 0.00 0.00 59.36 58.35 1o8t h GLU 47 Cb 0.66 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.33 1o8t h GLU 47 CO 0.05 -0.07 0.37 0.87 -1.18 0.00 0.00 179.01 179.05 1o8t h LYS 48 N -0.79 0.00 0.31 1.92 1.79 -0.24 0.47 116.57 120.03 1o8t h LYS 48 Ca -0.04 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 1o8t h LYS 48 Cb 0.51 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 1o8t h LYS 48 CO 0.07 0.00 -0.15 -0.07 -1.08 0.00 0.00 179.45 178.22 1o8t h LEU 49 N 0.00 -0.36 -1.40 2.94 4.07 -1.38 -0.80 115.31 118.39 1o8t h LEU 49 Ca 0.20 0.01 -0.04 0.00 0.08 0.00 0.00 57.88 58.13 1o8t h LEU 49 Cb 0.94 0.09 -0.02 0.00 1.08 0.00 0.00 40.66 42.75 1o8t h LEU 49 CO -0.00 -0.22 0.01 0.03 -1.08 0.00 0.00 178.44 177.18 1o8t h ARG 50 N -0.48 0.41 0.59 1.13 -0.00 -1.40 -1.77 114.38 112.86 1o8t h ARG 50 Ca -0.04 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.98 59.34 1o8t h ARG 50 Cb 0.32 -0.07 -0.01 0.00 0.00 0.00 0.00 29.97 30.21 1o8t h ARG 50 CO 0.07 0.43 -0.48 0.22 0.00 0.00 0.00 179.97 180.21 1o8t h ASP 51 N 0.40 -1.27 0.60 7.04 1.82 -0.05 -1.34 116.42 123.62 1o8t h ASP 51 Ca 0.09 0.09 -0.02 0.00 -0.39 0.00 0.00 57.03 56.80 1o8t h ASP 51 Cb 0.25 0.40 -0.00 0.00 0.68 0.00 0.00 39.33 40.66 1o8t h ASP 51 CO 0.00 -0.67 -0.10 -0.07 -1.61 0.00 0.00 179.24 176.80 1o8t h LEU 52 N -1.04 0.00 -0.27 2.28 3.38 -1.08 -2.91 115.31 115.67 1o8t h LEU 52 Ca -0.08 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 1o8t h LEU 52 Cb 0.87 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1o8t h LEU 52 CO 0.00 0.10 -0.06 0.22 0.09 0.00 0.00 178.44 178.79 1o8t h TYR 53 N 0.00 0.59 -0.01 1.13 5.03 -0.82 0.10 116.97 122.99 1o8t h TYR 53 Ca -0.00 -0.13 -0.00 0.00 2.58 0.00 0.00 58.73 61.18 1o8t h TYR 53 Cb 0.43 -0.14 -0.00 0.00 1.55 0.00 0.00 36.73 38.56 1o8t h TYR 53 CO 0.00 0.73 0.01 0.77 -1.32 0.00 0.00 178.16 178.35 1o8t h SER 54 N 0.28 0.02 -0.67 -2.11 0.02 -1.06 -2.02 113.55 108.01 1o8t h SER 54 Ca 0.07 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1o8t h SER 54 Cb 0.54 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 1o8t h SER 54 CO 0.03 0.06 0.35 0.50 -1.14 0.00 0.00 176.83 176.63 1o8t h LYS 55 N -0.03 0.94 0.00 3.45 3.64 -1.54 -2.44 116.57 120.59 1o8t h LYS 55 Ca 0.01 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1o8t h LYS 55 Cb 0.05 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.69 1o8t h LYS 55 CO -0.00 0.72 -0.06 0.77 -2.27 0.00 0.00 179.45 178.61 1o8t h SER 56 N 0.92 0.00 -0.77 4.20 0.02 -0.75 -2.08 113.55 115.09 1o8t h SER 56 Ca 0.23 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.22 1o8t h SER 56 Cb 0.06 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.55 1o8t h SER 56 CO -0.04 0.06 0.48 0.74 -1.14 0.00 0.00 176.83 176.93 1o8t h THR 57 N 0.00 1.08 0.07 -2.27 2.02 -0.85 0.11 112.91 113.07 1o8t h THR 57 Ca -0.00 -0.31 -0.27 0.00 0.77 0.00 0.00 66.41 66.59 1o8t h THR 57 Cb 0.19 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.67 1o8t h THR 57 CO 0.01 0.17 -1.46 0.00 0.37 0.00 0.00 175.52 174.61 1o8t h ALA 58 N 1.34 0.27 0.72 6.16 0.00 -1.63 -3.26 119.26 122.86 1o8t h ALA 58 Ca 0.32 -1.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.01 1o8t h ALA 58 Cb 0.07 0.61 0.01 0.00 0.00 0.00 0.00 17.79 18.48 1o8t h ALA 58 CO -0.13 0.88 -0.35 0.00 0.00 0.00 0.00 179.25 179.64 1o8t h ALA 59 N -0.17 -1.14 0.00 0.00 0.00 -1.37 -2.97 119.26 113.61 1o8t h ALA 59 Ca -0.34 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1o8t h ALA 59 Cb 1.65 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.81 1o8t h ALA 59 CO -0.03 -1.07 0.00 0.52 0.00 0.00 0.00 179.25 178.67 1o8t h MET 60 N -1.07 0.00 0.00 0.00 2.86 -1.01 -2.22 114.93 113.48 1o8t h MET 60 Ca -0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1o8t h MET 60 Cb 0.75 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.41 1o8t h MET 60 CO 0.16 0.00 0.00 0.77 1.06 0.00 0.00 176.91 178.90 1o8t h SER 61 N 0.00 0.00 0.00 1.22 0.02 -1.56 0.23 113.55 113.46 1o8t h SER 61 Ca 0.00 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.49 1o8t h SER 61 Cb 0.07 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.54 1o8t h SER 61 CO 0.00 0.00 -2.55 0.35 -1.14 0.00 0.00 176.83 173.49 1o8t n THR 62 N -2.86 1.52 0.30 -2.27 -2.24 -0.84 -4.30 114.28 103.59 1o8t n THR 62 Ca -0.00 -0.40 0.18 0.00 -2.27 0.00 0.00 64.05 61.57 1o8t n THR 62 Cb 0.22 -1.85 0.87 0.00 -2.10 0.00 0.00 70.33 67.46 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 -0.94 0.00 0.44 4.78 0.05 -1.56 -0.80 116.97 118.94 1o8t h TYR 63 Ca -0.70 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.06 1o8t h TYR 63 Cb 1.63 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.38 1o8t h TYR 63 CO -0.08 0.00 -0.21 1.15 -1.05 0.00 0.00 178.16 177.96 1o8t h THR 64 N 0.00 0.24 -0.67 -2.88 2.02 -1.15 0.64 112.91 111.12 1o8t h THR 64 Ca 0.00 -0.58 -0.05 0.00 0.77 0.00 0.00 66.41 66.54 1o8t h THR 64 Cb 0.25 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 1o8t h THR 64 CO 0.00 0.05 0.21 1.23 0.37 0.00 0.00 175.52 177.38 1o8t h GLY 65 N -1.07 1.09 0.83 2.16 0.00 -1.72 -1.04 103.07 103.33 1o8t h GLY 65 Ca -0.06 -0.63 -0.04 0.00 0.00 0.00 0.00 47.33 46.60 1o8t h GLY 65 CO 0.10 0.59 -0.39 -2.22 0.00 0.00 0.00 176.54 174.61 1o8t h ILE 66 N 0.98 0.02 -0.19 2.60 2.04 -1.17 0.10 117.51 121.89 1o8t h ILE 66 Ca 0.22 -0.19 0.05 0.00 1.00 0.00 0.00 64.86 65.94 1o8t h ILE 66 Cb 0.28 0.02 -0.07 0.00 -0.74 0.00 0.00 36.82 36.31 1o8t h ILE 66 CO -0.01 0.00 -0.35 0.15 0.00 0.00 0.00 178.15 177.95 1o8t h PHE 67 N -1.28 -0.97 0.00 1.37 3.57 0.34 0.28 116.94 120.24 1o8t h PHE 67 Ca -0.11 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 1o8t h PHE 67 Cb 0.85 0.45 -0.00 0.00 2.79 0.00 0.00 35.95 40.04 1o8t h PHE 67 CO -0.00 -0.41 -0.04 1.15 -2.23 0.00 0.00 178.31 176.78 1o8t h THR 68 N -0.39 0.20 0.59 4.41 2.02 -1.24 -2.83 112.91 115.67 1o8t h THR 68 Ca 0.11 -0.33 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 1o8t h THR 68 Cb 0.56 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 1o8t h THR 68 CO -0.40 0.04 -0.42 -0.78 0.37 0.00 0.00 175.52 174.32 1o8t h ASP 69 N 0.00 -1.10 0.78 4.18 1.82 0.14 0.15 116.42 122.40 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 0.27 0.34 -0.01 0.00 0.68 0.00 0.00 39.33 40.61 1o8t h ASP 69 CO 0.01 -0.63 -0.21 1.56 -1.61 0.00 0.00 179.24 178.36 1o8t h GLN 70 N -0.98 0.00 0.29 0.28 4.20 -1.45 -2.12 115.11 115.33 1o8t h GLN 70 Ca -0.07 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1o8t h GLN 70 Cb 0.81 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.60 1o8t h GLN 70 CO 0.03 0.21 -0.14 0.28 -0.67 0.00 0.00 178.83 178.54 1o8t h VAL 71 N 0.00 0.69 -0.67 -0.54 2.07 -1.21 -2.51 116.25 114.08 1o8t h VAL 71 Ca -0.00 -0.67 0.08 0.00 0.82 0.00 0.00 66.70 66.93 1o8t h VAL 71 Cb 0.66 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 1o8t h VAL 71 CO 0.03 0.13 0.45 -0.07 0.02 0.00 0.00 177.57 178.12 1o8t h LEU 72 N -0.79 0.55 -1.49 2.57 -0.00 -0.66 0.28 115.31 115.77 1o8t h LEU 72 Ca -0.04 0.01 0.06 0.00 -0.00 0.00 0.00 57.88 57.90 1o8t h LEU 72 Cb 0.51 -0.11 -0.04 0.00 -0.00 0.00 0.00 40.66 41.02 1o8t h LEU 72 CO 0.07 0.34 0.41 -1.28 -0.00 0.00 0.00 178.44 177.98 1o8t h SER 73 N 0.62 0.55 1.11 -0.43 0.87 -1.17 0.16 113.55 115.26 1o8t h SER 73 Ca 0.30 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.86 1o8t h SER 73 Cb 0.37 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1o8t h SER 73 CO -0.10 0.36 -0.02 0.58 -0.53 0.00 0.00 176.83 177.12 1o8t h VAL 74 N 0.63 0.06 -0.64 2.23 2.07 -0.50 -2.86 116.25 117.24 1o8t h VAL 74 Ca 0.27 -0.62 -0.07 0.00 0.82 0.00 0.00 66.70 67.10 1o8t h VAL 74 Cb 0.25 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 1o8t h VAL 74 CO -0.08 0.02 0.14 0.25 0.02 0.00 0.00 177.57 177.92 1o8t h LEU 75 N 0.00 0.97 -0.96 2.57 5.85 -0.52 -1.95 115.31 121.26 1o8t h LEU 75 Ca -0.00 -0.20 -0.10 0.00 0.84 0.00 0.00 57.88 58.42 1o8t h LEU 75 Cb 0.58 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1o8t h LEU 75 CO 0.00 0.94 -0.47 0.11 -0.34 0.00 0.00 178.44 178.69 1o8t h LYS 76 N 0.97 0.00 -1.83 1.25 6.56 -1.48 -3.20 116.57 118.83 1o8t h LYS 76 Ca 0.20 0.00 -0.31 0.00 -1.06 0.00 0.00 60.65 59.48 1o8t h LYS 76 Cb 0.36 0.00 -0.12 0.00 -0.57 0.00 0.00 32.23 31.91 1o8t h LYS 76 CO 0.00 0.47 0.20 0.41 -2.06 0.00 0.00 179.45 178.47 1o8t n GLY 77 N 0.07 3.76 2.46 3.86 0.00 -0.90 -4.75 105.19 109.70 1o8t n GLY 77 Ca -0.01 -1.23 -0.20 0.00 0.00 0.00 0.00 46.02 44.58 1o8t n GLY 77 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1o8t n GLU 78 N 1.08 -2.03 0.00 1.61 4.71 -1.22 -5.02 120.64 119.76 1o8t n GLU 78 Ca 0.34 0.97 0.00 0.00 -0.01 0.00 0.00 57.16 58.46 1o8t n GLU 78 Cb 0.62 -5.65 0.00 0.00 -1.01 0.00 0.00 31.44 25.40 1o8t n GLU 78 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61